: ALA
TRELTR ALA N C  CA 1 1.320 114. 180. 62.0
TRECAL ALA N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR ALA HN N *5 0 1. 123. 0. 57.0
TRECAL ALA HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR ALA CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL ALA CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ALA CB CA *5 -1 1.530 110. 60. 55.0
TRECAL ALA CB 600. 112. 0. 55. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR ALA C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL ALA C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ALA O C *5 0 1.240 121. 0. 62.0
TRECAL ALA O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: ARG
TRELTR ARG N C  CA 1 1.320 114. 180. 62.0
TRECAL ARG N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR ARG HN N *5 0 1. 123. 0. 57.0
TRECAL ARG HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR ARG CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL ARG CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ARG CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL ARG CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ARG CG CB CD -1 1.530 112. 180. 56. 3. 180.0
TRECAL ARG CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ARG CD CG NE -1 1.530 112. 180. 56. 3. 180.0
TRECAL ARG CD 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ARG NE CD CZ 1 1.470 112. 180. 56. 3. 0.0
TRECAL ARG NE 760. 112. 0. 55. 0.6 49.36 1300. -0.110 49.36 1300. 2 14
TRELTR ARG HE NE *5 0 1. 116. 0. 120.0
TRECAL ARG HE 895. 88. 1.4 70. 0. 0. 0. 0.240 0. 0. 1 1
TRELTR ARG CZ NE NH1 0 1.340 124. 180. 0.0
TRECAL ARG CZ 1000. 124. 0. 0. 0. 48.37 1837. 0.340 48.37 1837. 1 12
TRELTR ARG NH2 CZ HH21 0 1.340 120. 180. 120.0
TRECAL ARG NH2 1000. 130. 40. 130. 0. 49.36 1300. -0.260 49.36 1300. 2 14
TRELTR ARG HH22 NH2 *5 0 1. 120. 0. 120.0
TRECAL ARG HH22 895. 70. 1.4 80. 0. 0. 0. 0.240 0. 0. 1 1
TRELTR ARG HH21 NH2 *5 0 1. 120. 180. 0.0
TRECAL ARG HH21 895. 70. 10. 0. 0. 0. 0. 0.240 0. 0. 1 1
TRELTR ARG NH1 CZ HH11 0 1.340 120. 0. 0.0
TRECAL ARG NH1 1000. 130. 10. 0. 0. 49.36 1300. -0.260 49.36 1300. 2 14
TRELTR ARG HH12 NH1 *5 0 1. 120. 0. 120.0
TRECAL ARG HH12 895. 70. 1.4 80. 0. 0. 0. 0.240 0. 0. 1 1
TRELTR ARG HH11 NH1 *5 0 1. 120. 180. 0.0
TRECAL ARG HH11 895. 70. 10. 0. 0. 0. 0. 0.240 0. 0. 1 1
TRELTR ARG C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL ARG C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ARG O C *5 0 1.240 121. 0. 62.0
TRECAL ARG O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: ASN
TRELTR ASN N C  CA 1 1.320 114. 180. 62.0
TRECAL ASN N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR ASN HN N *5 0 1. 123. 0. 57.0
TRECAL ASN HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR ASN CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL ASN CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ASN CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL ASN CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ASN CG CB ND2 1 1.530 112. 180. 56. 6. 180.0
TRECAL ASN CG 600. 115. 0. 55. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ASN OD1 CG *5 0 1.230 120. 0. 124.0
TRECAL ASN OD1 740. 120. 8.1 120. 0. 47.56 861. -0.380 47.56 861. 1 16
TRELTR ASN ND2 CG HND1 0 1.320 116. 180. 0.0
TRECAL ASN ND2 1090. 120. 0. 0. 0. 49. 1300. -0.830 49. 1300. 1 14
TRELTR ASN HND2 ND2 *5 0 1. 120. 0. 120.0
TRECAL ASN HND2 895. 70. 1.4 80. 0. 0. 0. 0.415 0. 0. 1 1
TRELTR ASN HND1 ND2 *5 0 1. 120. 180. 0.0
TRECAL ASN HND1 895. 70. 10. 0. 0. 0. 0. 0.415 0. 0. 1 1
TRELTR ASN C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL ASN C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ASN O C *5 0 1.240 121. 0. 62.0
TRECAL ASN O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: ASP
TRELTR ASP N C  CA 1 1.320 114. 180. 62.0
TRECAL ASP N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR ASP HN N *5 0 1. 123. 0. 57.0
TRECAL ASP HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR ASP CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL ASP CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ASP CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL ASP CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ASP CG CB OD1 1 1.530 112. 180. 56. 6. 90.0
TRECAL ASP CG 600. 115. 0. 55. 0.6 48.37 1837. 0.270 48.37 1837. 1 12
TRELTR ASP OD2 CG *5 0 1.250 120. 0. 120.0
TRECAL ASP OD2 1300. 120. 100. 120. 0. 47.56 862. -0.635 47.56 862.0-2 16
TRELTR ASP OD1 CG *5 0 1.250 120. 180. 0.0
TRECAL ASP OD1 1300. 120. 0. 0. 0. 47.56 862. -0.635 47.56 862.0-2 16
TRELTR ASP C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL ASP C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ASP O C *5 0 1.240 121. 0. 62.0
TRECAL ASP O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: CSH Not involved in disulfide
TRELTR CSH N C  CA 1 1.320 114. 180. 62.0
TRECAL CSH N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR CSH HN N *5 0 1. 123. 0. 57.0
TRECAL CSH HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR CSH CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL CSH CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR CSH CB CA SG -1 1.530 110. 60. 55. 3. 180.0
TRECAL CSH CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR CSH SG CB HS 1 1.820 113. 180. 56. 3. 180.0
TRECAL CSH SG 490. 112. 0. 55. 1.3 99.20 3617. -0.064 99.20 3617. 1 32
TRELTR CSH HS SG *5 0 1.340 96. 180. 0.0
TRECAL CSH HS 700. 95. 0. 0. 0. 0. 0. 0.064 0. 0. 1 1
TRELTR CSH C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL CSH C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR CSH O C *5 0 1.240 121. 0. 62.0
TRECAL CSH O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: CYS Is involved in desulfide bridge
TRELTR CYS N C  CA 1 1.320 114. 180. 62.0
TRECAL CYS N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR CYS HN N *5 0 1. 123. 0. 57.0
TRECAL CYS HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR CYS CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL CYS CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR CYS CB CA SG -1 1.530 110. 60. 55. 3. 180.0
TRECAL CYS CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR CYS SG CB SGX -1 1.860 113. 180. 56. 3. 180.0
TRECAL CYS SG 490. 112. 0. 55. 1.5 99.20 3617. 0. 99.20 3617. 1 32
TRELTR CYS SGX SG CBX -9 2.040 104. 180. 0. 2. 90.0
TRECAL CYS SGX 530. 112. 0. 0. 12. 0. 0. 0. 0. 0. 0 0
TRELTR CYS CBX SGX CAX -9 1.860 104. 90. 0. 3. 180.0
TRECAL CYS CBX 490. 112. 0. 0. 1.5 0. 0. 0. 0. 0. 0 0
TRELTR CYS CAX CBX *5 -9 1.530 113. 180. 0.0
TRECAL CYS CAX 600. 112. 0. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR CYS C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL CYS C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR CYS O C *5 0 1.240 121. 0. 62.0
TRECAL CYS O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: GLN
TRELTR GLN N C  CA 1 1.320 114. 180. 62.0
TRECAL GLN N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR GLN HN N *5 0 1. 123. 0. 57.0
TRECAL GLN HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR GLN CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL GLN CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR GLN CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL GLN CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR GLN CG CB CD -1 1.530 112. 180. 56. 3. 180.0
TRECAL GLN CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR GLN CD CG NE2 1 1.530 112. 180. 56. 6. 180.0
TRECAL GLN CD 600. 115. 0. 55. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR GLN OE1 CD *5 0 1.230 120. 0. 124.0
TRECAL GLN OE1 740. 120. 8.1 120. 0. 47.56 861. -0.380 47.56 861. 1 16
TRELTR GLN NE2 CD HNE1 0 1.320 116. 180. 0.0
TRECAL GLN NE2 1090. 120. 0. 0. 0. 49. 1300. -0.830 49. 1300. 1 14
TRELTR GLN HNE2 NE2 *5 0 1. 120. 0. 120.0
TRECAL GLN HNE2 895. 70. 1.4 80. 0. 0. 0. 0.415 0. 0. 1 1
TRELTR GLN HNE1 NE2 *5 0 1. 120. 180. 0.0
TRECAL GLN HNE1 895. 70. 10. 0. 0. 0. 0. 0.415 0. 0. 1 1
TRELTR GLN C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL GLN C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR GLN O C *5 0 1.240 121. 0. 62.0
TRECAL GLN O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: GLU
TRELTR GLU N C  CA 1 1.320 114. 180. 62.0
TRECAL GLU N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR GLU HN N *5 0 1. 123. 0. 57.0
TRECAL GLU HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR GLU CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL GLU CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR GLU CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL GLU CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR GLU CG CB CD -1 1.530 112. 180. 56. 3. 180.0
TRECAL GLU CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR GLU CD CG OE1 1 1.530 112. 180. 56. 6. 90.0
TRECAL GLU CD 600. 115. 0. 55. 0.6 48.37 1837. 0.270 48.37 1837. 1 12
TRELTR GLU OE2 CD *5 0 1.250 120. 0. 120.0
TRECAL GLU OE2 1300. 120. 100. 120. 0. 47.56 862. -0.635 47.56 862.0-2 16
TRELTR GLU OE1 CD *5 0 1.250 120. 180. 0.0
TRECAL GLU OE1 1300. 120. 0. 0. 0. 47.56 862. -0.635 47.56 862.0-2 16
TRELTR GLU C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL GLU C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR GLU O C *5 0 1.240 121. 0. 62.0
TRECAL GLU O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: GLY
TRELTR GLY N C  CA 1 1.320 114. 180. 62.0
TRECAL GLY N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR GLY HN N *5 0 1. 123. 0. 57.0
TRECAL GLY HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR GLY CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL GLY CA 760. 124. 10. 44. 0.6 95.38 5944. 0. 68.73 2667. 0 14
TRELTR GLY C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL GLY C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR GLY O C *5 0 1.240 121. 0. 62.0
TRECAL GLY O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: HIS
TRELTR HIS N C  CA 1 1.320 114. 180. 62.0
TRECAL HIS N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR HIS HN N *5 0 1. 123. 0. 57.0
TRECAL HIS HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR HIS CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL HIS CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR HIS CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL HIS CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR HIS CG CB ND1 -1 1.530 112. 180. 56. 6. 90.0
TRECAL HIS CG 600. 115. 0. 55. 0.6 48.37 1837. 0. 48.37 1837. 0 12
TRELTR HIS CD2 CG *5 -1 1.360 132. 180. 106.0
TRECAL HIS CD2 1100. 144. 100. 144. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR HIS ND1 CG CE1 1 1.390 122. 0. 0.0
TRECAL HIS ND1 1100. 144. 0. 0. 0. 49.35 1300. 0.013 49.35 1300. 1 14
TRELTR HIS HD1 ND1 *5 0 1. 126. 0. 126.0
TRECAL HIS HD1 895. 108. 20. 108. 0. 0. 0. 0.192 0. 0. 1 1
TRELTR HIS CE1 ND1 NE2 0 1.320 108. 180. 0.0
TRECAL HIS CE1 1100. 144. 20. 0. 0. 74.25 3888. 0.259 74.25 2886. 1 13
TRELTR HIS NE2 CE1 CD2X 0 1.310 109. 0. 0.0
TRECAL HIS NE2 1100. 144. 20. 0. 0. 49.35 1300. -0.579 49.35 1300. 1 14
TRELTR HIS CD2X NE2 CGX -9 1.360 110. 0. 0.0
TRECAL HIS CD2X 1100. 144. 20. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR HIS CGX CD2X CBX -9 1.360 107. 0. 0.0
TRECAL HIS CGX 1100. 144. 27. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR HIS ND1X CGX *5 -9 1.390 106. 0. 122.0
TRECAL HIS ND1X 1100. 144. 100. 144. 0. 0. 0. 0. 0. 0. 0 0
TRELTR HIS CBX CGX *5 -9 1.530 132. 180. 0.0
TRECAL HIS CBX 600. 144. 20. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR HIS C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL HIS C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR HIS O C *5 0 1.240 121. 0. 62.0
TRECAL HIS O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: ILE
TRELTR ILE N C  CA 1 1.320 114. 180. 62.0
TRECAL ILE N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR ILE HN N *5 0 1. 123. 0. 57.0
TRECAL ILE HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR ILE CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL ILE CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ILE CB CA CG1 -1 1.530 110. 60. 55. 3. 180.0
TRECAL ILE CB 600. 112. 0. 55. 2.8 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR ILE CG2 CB *5 -1 1.530 112. 60. 56.0
TRECAL ILE CG2 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR ILE CG1 CB CD1 -1 1.530 112. 180. 56. 3. 180.0
TRECAL ILE CG1 600. 112. 0. 54. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR ILE CD1 CG1 *5 -1 1.530 112. 180. 56.0
TRECAL ILE CD1 625. 108. 0. 55. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR ILE C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL ILE C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR ILE O C *5 0 1.240 121. 0. 62.0
TRECAL ILE O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: LEU
TRELTR LEU N C  CA 1 1.320 114. 180. 62.0
TRECAL LEU N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR LEU HN N *5 0 1. 123. 0. 57.0
TRECAL LEU HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR LEU CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL LEU CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR LEU CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL LEU CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR LEU CG CB CD1 -1 1.530 112. 180. 56. 3. 180.0
TRECAL LEU CG 600. 112. 0. 55. 2.8 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR LEU CD2 CG *5 -1 1.530 112. 60. 56.0
TRECAL LEU CD2 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR LEU CD1 CG *5 -1 1.530 112. 180. 56.0
TRECAL LEU CD1 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR LEU C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL LEU C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR LEU O C *5 0 1.240 121. 0. 62.0
TRECAL LEU O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: LYS
TRELTR LYS N C  CA 1 1.320 114. 180. 62.0
TRECAL LYS N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR LYS HN N *5 0 1. 123. 0. 57.0
TRECAL LYS HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR LYS CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL LYS CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR LYS CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL LYS CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR LYS CG CB CD -1 1.530 112. 180. 56. 3. 180.0
TRECAL LYS CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR LYS CD CG CE -1 1.530 112. 180. 56. 3. 180.0
TRECAL LYS CD 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR LYS CE CD NZ 1 1.530 112. 180. 56. 3. 180.0
TRECAL LYS CE 600. 112. 0. 55. 2.8 95.38 5944. 0.127 68.73 2667. 1 14
TRELTR LYS NZ CE HZ1 0 1.470 112. 180. 56. 3. 180.0
TRECAL LYS NZ 760. 124. 0. 55. 2.8 49.35 1300. 0.129 49.35 1300. 2 14
TRELTR LYS HZ2 NZ *5 0 1. 109.5 -60. 54.0
TRECAL LYS HZ2 895. 88. 0. 40. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR LYS HZ3 NZ *5 0 1. 109.5 60. 54.0
TRECAL LYS HZ3 895. 88. 0. 40. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR LYS HZ1 NZ *5 0 1. 109.5 180. 54.0
TRECAL LYS HZ1 895. 88. 0. 40. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR LYS C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL LYS C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR LYS O C *5 0 1.240 121. 0. 62.0
TRECAL LYS O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: MET
TRELTR MET N C  CA 1 1.320 114. 180. 62.0
TRECAL MET N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR MET HN N *5 0 1. 123. 0. 57.0
TRECAL MET HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR MET CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL MET CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR MET CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL MET CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR MET CG CB SD -1 1.530 112. 180. 56. 3. 180.0
TRECAL MET CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR MET SD CG CE -1 1.790 113. 180. 56. 3. 180.0
TRECAL MET SD 490. 112. 0. 55. 1.3 99.20 3617. 0. 99.20 3617. 0 32
TRELTR MET CE SD *5 -1 1.790 110. 180. 0.0
TRECAL MET CE 490. 112. 0. 0. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR MET C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL MET C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR MET O C *5 0 1.240 121. 0. 62.0
TRECAL MET O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: PHE
TRELTR PHE N C  CA 1 1.320 114. 180. 62.0
TRECAL PHE N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR PHE HN N *5 0 1. 123. 0. 57.0
TRECAL PHE HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR PHE CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL PHE CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR PHE CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL PHE CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR PHE CG CB CD1 1 1.530 112. 180. 56. 6. 90.0
TRECAL PHE CG 600. 115. 0. 55. 0.6 48.37 1837. 0. 48.37 1837. 0 12
TRELTR PHE CD2 CG CE2 0 1.390 120. 180. 60.0
TRECAL PHE CD2 1100. 144. 100. 72. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR PHE CE2 CD2 *5 0 1.390 120. 180. 60.0
TRECAL PHE CE2 1100. 144. 14. 54. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR PHE CD1 CG CE1 0 1.390 120. 0. 60.0
TRECAL PHE CD1 1100. 144. 0. 72. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR PHE CE1 CD1 CZ 0 1.390 120. 180. 60.0
TRECAL PHE CE1 1100. 144. 14. 54. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR PHE CZ CE1 CE2X 0 1.390 120. 0. 60.0
TRECAL PHE CZ 1100. 144. 27. 54. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR PHE CE2X CZ CD2X -9 1.390 120. 0. 60.0
TRECAL PHE CE2X 1100. 144. 27. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR PHE CD2X CE2X CGX -9 1.390 120. 0. 60.0
TRECAL PHE CD2X 1100. 144. 27. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR PHE CGX CD2X *5 -9 1.390 120. 0. 60.0
TRECAL PHE CGX 1100. 144. 0. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR PHE C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL PHE C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR PHE O C *5 0 1.240 121. 0. 62.0
TRECAL PHE O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: PRO
TRELTR PRO N C  CA -1 1.340 114. 180. 62.0
TRECAL PRO N 1090. 120. 0. 81. 0. 49.36 1300. 0. 49.36 1300. 0 14
TRELTR PRO CD N CG -1 1.470 123. 0. 57. 1. 0.0
TRECAL PRO CD 760. 124. 1.4 56. 0. 95.38 5944. 0. 68.73 2667. 0 14
TRELTR PRO CG CD *5 -1 1.530 110. 180. 56. 3. 180.0
TRECAL PRO CG 600. 108. 0. 54. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR PRO CA N C -1 1.470 123. 180. 57. 1. 0.0
TRECAL PRO CA 760. 124. 10. 56. 0. 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR PRO CB CA CGX -1 1.530 110. 180. 55. 3. 180.0
TRECAL PRO CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR PRO CGX CB CDX -9 1.530 112. 0. 56. 3. 180.0
TRECAL PRO CGX 600. 108. 0. 54. 2.8 0. 0. 0. 0. 0. 0 0
TRELTR PRO CDX CGX NX1 -9 1.530 112. 0. 56. 3. 180.0
TRECAL PRO CDX 600. 108. 0. 54. 2.8 0. 0. 0. 0. 0. 0 0
TRELTR PRO NX1 CDX *5 -9 1.470 110. 0. 0.0
TRECAL PRO NX1 760. 112. 0. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR PRO C CA N  1 1.530 110. -60. 55. 3. 180.0
TRECAL PRO C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR PRO O C *5 0 1.240 121. 0. 62.0
TRECAL PRO O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
TRELTR CPR N C  CA -1 1.340 114. 180. 62.0
: CIS PRO
TRECAL CPR N 1090. 120. 0. 81. 0. 49.36 1300. 1. 49.36 1300. 0 14
TRELTR CPR CD N CG -1 1.470 123. 180. 57. 1. 0.0
TRECAL CPR CD 760. 124. 1.4 56. 0. 95.38 5944. 0. 68.73 2667. 0 14
TRELTR CPR CG CD *5 -1 1.530 110. 180. 56. 3. 180.0
TRECAL CPR CG 600. 108. 0. 54. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR CPR CA N C -1 1.470 123. 0. 57. 1. 0.0
TRECAL CPR CA 760. 124. 10. 56. 0. 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR CPR CB CA CGX -1 1.530 110. 180. 55. 3. 180.0
TRECAL CPR CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR CPR CGX CB CDX -9 1.530 112. 0. 56. 3. 180.0
TRECAL CPR CGX 600. 108. 0. 54. 2.8 0. 0. 0. 0. 0. 0 0
TRELTR CPR CDX CGX NX1 -9 1.530 112. 0. 56. 3. 180.0
TRECAL CPR CDX 600. 108. 0. 54. 2.8 0. 0. 0. 0. 0. 0 0
TRELTR CPR NX1 CDX *5 -9 1.470 110. 0. 0.0
TRECAL CPR NX1 760. 112. 0. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR CPR C CA N  1 1.530 110. -60. 55. 3. 180.0
TRECAL CPR C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR CPR O C *5 0 1.240 121. 0. 62.0
TRECAL CPR O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: SER
TRELTR SER N C  CA 1 1.320 114. 180. 62.0
TRECAL SER N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR SER HN N *5 0 1. 123. 0. 57.0
TRECAL SER HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR SER CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL SER CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR SER CB CA OG -1 1.530 110. 60. 55. 3. 180.0
TRECAL SER CB 600. 112. 0. 55. 2.8 95.38 5944. 0.150 68.73 2667. 1 14
TRELTR SER OG CB HG -1 1.430 110. 180. 56. 3. 180.0
TRECAL SER OG 720. 108. 0. 55. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR SER HG OG *5 0 1. 109.5 180. 0.0
TRECAL SER HG 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR SER C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL SER C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR SER O C *5 0 1.240 121. 0. 62.0
TRECAL SER O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: THR
TRELTR THR N C  CA 1 1.320 114. 180. 62.0
TRECAL THR N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR THR HN N *5 0 1. 123. 0. 57.0
TRECAL THR HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR THR CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL THR CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR THR CB CA OG1 1 1.530 110. 60. 55. 3. 180.0
TRECAL THR CB 600. 112. 0. 55. 2.8 111.80 8470.4 0.150 53.96 1933. 1 13
TRELTR THR CG2 CB *5 -1 1.530 112. 60. 56.0
TRECAL THR CG2 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR THR OG1 CB HG1 0 1.420 110. 180. 56. 3. 180.0
TRECAL THR OG1 720. 108. 0. 54. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR THR HG1 OG1 *5 0 1. 109.5 180. 0.0
TRECAL THR HG1 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR THR C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL THR C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR THR O C *5 0 1.240 121. 0. 62.0
TRECAL THR O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
TRELTR TRP N C  CA 1 1.320 114. 180. 62.0
: TRP
TRECAL TRP N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR TRP HN N *5 0 1. 123. 0. 57.0
TRECAL TRP HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR TRP CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL TRP CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR TRP CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL TRP CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR TRP CG CB CD1 1 1.530 112. 180. 56. 6. 90.0
TRECAL TRP CG 600. 115. 0. 55. 0.6 48.37 1837. -0.181 48.37 1837. 1 12
TRELTR TRP CD2 CG CE2 0 1.420 125. 0. 108.0
TRECAL TRP CD2 800. 120. 30. 150. 0. 48.37 1837. -0.037 48.37 1837. 1 12
TRELTR TRP CD1 CG *5 0 1.340 127. 180. 0.0
TRECAL TRP CD1 1300. 150. 0. 0. 0. 74.25 3888. 0.120 74.25 2886. 1 13
TRELTR TRP CE3 CD2 CZ3 0 1.400 134. 0. 119.0
TRECAL TRP CE3 1100. 130. 100. 144. 0. 74.25 3888. -0.026 74.25 2886. 1 13
TRELTR TRP CE2 CD2 CZ2 0 1.390 107. 180. 0.0
TRECAL TRP CE2 1100. 130. 5. 0. 0. 48.37 1837. 0.110 48.37 1837. 1 12
TRELTR TRP CZ3 CE3 *5 0 1.410 118. 180. 0.0
TRECAL TRP CZ3 1100. 144. 14. 0. 0. 74.25 3888. -0.039 74.25 2886. 1 13
TRELTR TRP NE1 CE2 HE1 0 1.310 109. 0. 128.0
TRECAL TRP NE1 1100. 144. 100. 144. 0. 49.35 1300. -0.075 49.35 1300. 1 14
TRELTR TRP CZ2 CE2 CH2 0 1.400 123. 180. 0.0
TRECAL TRP CZ2 1100. 144. 8. 0. 0. 74.25 3888. -0.029 74.25 2886. 1 13
TRELTR TRP CD1Y NE1 CGY -9 1.430 109. 0. 0.0
TRECAL TRP CD1Y 800. 124. 10. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP HE1 NE1 *5 0 1. 125.5 180. 125.5
TRECAL TRP HE1 895. 70. 2. 88. 0. 0. 0. 0.188 0. 0. 1 1
TRELTR TRP CGY CD1Y CD2Y -9 1.340 107. 0. 0.0
TRECAL TRP CGY 1300. 150. 8. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP CBY CGY *5 -9 1.530 127. 180. 125.0
TRECAL TRP CBY 600. 150. 30. 120. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP CD2Y CGY *5 -9 1.420 108. 0. 0.0
TRECAL TRP CD2Y 800. 150. 20. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP CH2 CZ2 CZ3X 0 1.390 117. 0. 0.0
TRECAL TRP CH2 1100. 144. 14. 0. 0. 74.25 3888. -0.031 74.25 2886. 1 13
TRELTR TRP CZ3X CH2 CE3X -9 1.350 121. 0. 0.0
TRECAL TRP CZ3X 1100. 144. 27. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP CE3X CZ3X CH2Y -9 1.410 122. 0. 0.0
TRECAL TRP CE3X 1100. 144. 27. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP CH2Y CE3X *5 -9 1.400 118. 0. 0.0
TRECAL TRP CH2Y 1100. 144. 27. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TRP C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL TRP C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR TRP O C *5 0 1.240 121. 0. 62.0
TRECAL TRP O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: TYR
TRELTR TYR N C  CA 1 1.320 114. 180. 62.0
TRECAL TYR N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR TYR HN N *5 0 1. 123. 0. 57.0
TRECAL TYR HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR TYR CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL TYR CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR TYR CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL TYR CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR TYR CG CB CD1 1 1.530 112. 180. 56. 6. 90.0
TRECAL TYR CG 600. 115. 0. 55. 0.6 48.37 1837. 0. 48.37 1837. 0 12
TRELTR TYR CD2 CG CE2 0 1.390 120. 180. 60.0
TRECAL TYR CD2 1100. 144. 100. 72. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR TYR CE2 CD2 *5 0 1.390 120. 180. 60.0
TRECAL TYR CE2 1100. 144. 14. 54. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR TYR CD1 CG CE1 0 1.390 120. 0. 60.0
TRECAL TYR CD1 1100. 144. 0. 72. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR TYR CE1 CD1 CZ 0 1.390 120. 180. 60.0
TRECAL TYR CE1 1100. 144. 14. 54. 0. 74.25 3888. 0. 74.25 2886. 0 13
TRELTR TYR CZ CE1 CE2X 1 1.390 120. 0. 60.0
TRECAL TYR CZ 1100. 144. 27. 54. 0. 48.37 1837. 0.150 48.37 1837. 1 12
TRELTR TYR OH CZ HH 0 1.360 120. 180. 60. 2. 90.0
TRECAL TYR OH 860. 130. 20. 130. 0. 47.56 1230. -0.548 47.56 860. 1 16
TRELTR TYR HH OH *5 0 1. 110. 0. 0.0
TRECAL TYR HH 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR TYR CE2X CZ CD2X -9 1.390 120. 0. 60.0
TRECAL TYR CE2X 1100. 144. 20. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TYR CD2X CE2X CGX -9 1.390 120. 0. 60.0
TRECAL TYR CD2X 1100. 144. 20. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TYR CGX CD2X *5 -9 1.390 120. 0. 60.0
TRECAL TYR CGX 1100. 144. 27. 0. 0. 0. 0. 0. 0. 0. 0 0
TRELTR TYR C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL TYR C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR TYR O C *5 0 1.240 121. 0. 62.0
TRECAL TYR O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
TRELTR VAL N C  CA 1 1.320 114. 180. 62.0
: VAL
TRECAL VAL N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR VAL HN N *5 0 1. 123. 0. 57.0
TRECAL VAL HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR VAL CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL VAL CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR VAL CB CA CG1 -1 1.530 110. 60. 55. 3. 180.0
TRECAL VAL CB 600. 112. 0. 55. 2.8 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR VAL CG2 CB *5 -1 1.530 112. 60. 56.0
TRECAL VAL CG2 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR VAL CG1 CB *5 -1 1.530 112. 180. 56.0
TRECAL VAL CG1 625. 108. 0. 54. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR VAL C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL VAL C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR VAL O C *5 0 1.240 121. 0. 62.0
TRECAL VAL O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: N-TERM RESIDUE EXCEPT PROLINE
TRELTR NTR  H1 *4 N 1 1. 0. 0. 0.
TRECAL NTR  H1 895. 70. 1.4 44. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR NTR  N H1 CA 1 1.0 107.7 180. 60.0
TRECAL NTR  N 1090. 120. 0. 81. 0. 49.36 1300. 0.129 49.36 1300. 1 14
TRELTR NTR  H2  N *5 0 1. 107.7 -60. 60.0
TRECAL NTR  H2  895. 70. 1.4 44. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR NTR  H3 N *5  0 1. 107.7 60. 60.
TRECAL NTR  H3 895. 70. 1.4 44. 0. 0. 0. 0.248 0. 0. 1 1
: C-TERM RESIDUE
TRELTR CTR C CA OXT 1 1.530 110.7 180. 55. 3. 180.0
TRECAL CTR C 740. 112. 0. 57. 0.2 48.37 1837. 0.270 48.37 1837. 1 12
TRELTR CTR O C *5 0 1.240 120.8 0. 62.0
TRECAL CTR O 1390. 124. 8.1 81. 0. 47.56 861. -0.635 47.56 861. 1 16
TRELTR CTR OXT C *5  0 1.240 121. 180. 62.0
TRECAL CTR OXT 1390. 124. 8.1 81. 0. 47.56 861. -0.635 47.56 861. 1 16
: N-TERM PROLINE
TRELTR NPR  N *4 CA 1 1.0 107.7 180. 60.0
TRECAL NPR  N 1090. 120. 0. 81. 0. 49.36 1300. 0.129 49.36 1300. 1 14
TRELTR NPR  H2  N *5 0 1. 107.7 -60. 60.0
TRECAL NPR  H2  895. 70. 1.4 44. 0. 0. 0. 0.248 0. 0. 1 1
TRELTR NPR  H3 N *5  0 1. 107.7 60. 60.
TRECAL NPR  H3 895. 70. 1.4 44. 0. 0. 0. 0.248 0. 0. 1 1
: C1 Pseudo residue, rest of side chain undetermined
TRELTR C1  N C  CA 1 1.320 114. 180. 62.0
TRECAL C1  N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR C1  HN N *5 0 1. 123. 0. 57.0
TRECAL C1  HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR C1  CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL C1  CA 760. 124. 10. 44. 0.6 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C1  C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL C1  C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR C1  O C *5 0 1.240 121. 0. 62.0
TRECAL C1  O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: C2 Pseudo residue, rest of side chain undetermined
TRELTR C2  N C  CA 1 1.320 114. 180. 62.0
TRECAL C2  N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR C2  HN N *5 0 1. 123. 0. 57.0
TRECAL C2  HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR C2  CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL C2  CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR C2  CB CA *5 -1 1.530 110. 60. 55.0
TRECAL C2  CB 600. 112. 0. 55. 0. 94.20 5114. 0. 82.80 3472. 0 15
TRELTR C2  C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL C2  C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR C2  O C *5 0 1.240 121. 0. 62.0
TRECAL C2  O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: C3 Pseudo residue, rest of side chain undetermined
TRELTR C3  N C  CA 1 1.320 114. 180. 62.0
TRECAL C3  N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR C3  HN N *5 0 1. 123. 0. 57.0
TRECAL C3  HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR C3  CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL C3  CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR C3  CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL C3  CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C3  CG CB *5 -1 1.530 112. 180. 56. 3. 180.0
TRECAL C3  CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C3  C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL C3  C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR C3  O C *5 0 1.240 121. 0. 62.0
TRECAL C3  O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: C4 Pseudo residue, rest of side chain undetermined
TRELTR C4  N C  CA 1 1.320 114. 180. 62.0
TRECAL C4  N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR C4  HN N *5 0 1. 123. 0. 57.0
TRECAL C4  HN 895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR C4  CA N C -1 1.470 123. 180. 57. 3. 0.0
TRECAL C4  CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR C4  CB CA CG -1 1.530 110. 60. 55. 3. 180.0
TRECAL C4  CB 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C4  CG CB CD -1 1.530 112. 180. 56. 3. 180.0
TRECAL C4  CG 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C4  CD CG *5 -1 1.530 112. 180. 56. 3. 180.0
TRECAL C4  CD 600. 112. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR C4  C CA N  1 1.530 110. 180. 55. 3. 180.0
TRECAL C4  C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR C4  O C *5 0 1.240 121. 0. 62.0
TRECAL C4  O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
: HOH Water molecule
TRELTR HOH O  *4 HB  1 0.0 0.0 0.0 0.0
TRECAL HOH O   0. 0.0 0.0 0.0  0.0 51.16 1623.0 -0.820  51.16 1630.0 -3   16
TRELTR HOH HA O  *5 0 1.0 0.0 0.0 52.2
TRECAL HOH HA 750. 0.0 0.0 75.0 0.00 0.6 0.0 0.410 0.00 0.0 1 1
TRELTR HOH HB O  *5 0 1.0 0.0 0.0 52.3
TRECAL HOH HB 750. 0.0 0.0 0.0 0.00  0.6 0.0 0.410 0.00 0.0 1 1
: FMN
TRELTR FMN OA8 *4 P 1
TRECAL FMN OA8 *5 0. 55. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR FMN P  OA8 OA5 0 1.61
TRECAL FMN P 600. *5 0. 55. 2.8 95.38 5944. 1.08 68.73 2667. 0 14
TRELTR FMN OA7 P *5 0 1.48 109.6 60.0 54.8
TRECAL FMN OA7 900. 95. 0. 55. 0.9 47.56 1230. -0.36 47.56 860. 1 16
TRELTR FMN OA6 P *5 0 1.48 109.6 -60.0 54.8
TRECAL FMN OA6 900. 95. 0. 55. 0.9 47.56 1230. -0.36 47.56 860. 1 16
TRELTR FMN OA5 P CA5 -1 1.61 103. 180.0 56. 3. 180.
TRECAL FMN OA5 600. 95. 0. 55. 2.8 95.38 5944. -0.36 68.73 2667. 0 14
TRELTR FMN CA5 OA5 CA4 -1 1.43 112. 180. 56. 3. 180.
TRECAL FMN CA5 600. 95. 0. 55. 2.8 95.38 5944. 0.15 68.73 2667. 0 14
TRELTR FMN CA4 CA5 CA3 -1 1.53 111. 180. 56. 3. 180.
TRECAL FMN CA4 800. 110. 0. 55. 2.8 95.38 5944. 0.15 68.73 2667. 0 14
TRELTR FMN OA4 CA4 HO4 -1 1.43 109.5 60. 56.3 3. 180.
TRECAL FMN OA4 800. 110. 0. 55. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR FMN HO4 OA4 *5 -1 1. 109.5 180. 0.0
TRECAL FMN HO4 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR FMN CA3 CA4 CA2 -1 1.53 111. 180. 56.3 3. 180.
TRECAL FMN CA3 800. 110. 0. 55. 2.8 95.38 5944. 0.15 68.73 2667. 0 14
TRELTR FMN OA3 CA3 HO3 -1 1.43 109.5 60. 56.3 3. 180.
TRECAL FMN OA3 800. 110. 0. 55. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR FMN HO3 OA3 *5 -1 1. 109.5 180. 0.0
TRECAL FMN HO3 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR FMN CA2 CA3 CA1 -1 1.53 111. 180. 56.3 3. 180.
TRECAL FMN CA2 800. 110. 0. 55. 2.8 95.38 5944. 0.15 68.73 2667. 0 14
TRELTR FMN OA2 CA2 HO2 -1 1.43 109.5 60. 56.3 3. 180.
TRECAL FMN OA2 800. 110. 0. 55. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR FMN HO2 OA2 *5 -1 1. 109.5 180. 0.0
TRECAL FMN HO2 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR FMN CA1 CA2 NG1 -1 1.53 111. 180. 56.3 3. 180.
TRECAL FMN CA1 800. 110. 0. 55. 2.8 95.38 5944. 0. 68.73 2667. 0 14
TRELTR FMN NG1 CA1 CG9X 1 1.48 117. 180. 60. 2 90.
TRECAL FMN NG1 800. 110. 5. 0. 0. 48.37 1837. -0.20 48.37 1837. 1 12
TRELTR FMN CG9X NG1 *5 -9 1.34 121.5 0. 60.
TRECAL FMN CG9X 800. 100. 27. 0. 0. 0. 0. 0.20 0. 0. 0 0
TRELTR FMN CG1A NG1 CG4 0 1.34 121.5 180. 60.
TRECAL FMN CG1A  1000. 100. 5. 0. *8 48.37 1837. 0.36 48.37 1837. 1 12
TRELTR FMN CG4X CG1A  *5 -9 1.39 124. 180. 60.
TRECAL FMN CG4X 1000. 100. 27. 0. 0. 0. 0. 0.18 0. 0. 0 0
TRELTR FMN NB1 CG1A  CB2 0 1.34 120. 0. 60.
TRECAL FMN NB1 1000. 100. 20. 0. *8 49.35 1300. -0.36 49.35 1300. 1 14
TRELTR FMN CB2 NB1 NB3 0 1.34 120. 180. 60.
TRECAL FMN CB2 1000. 100. 5. 0. *8 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR FMN OB2 CB2 *5 0 1.23 120. 180. 60.
TRECAL FMN OB2 1200. 100. 8.1 81. *8 47.56 861. -0.380 47.56 861. 1 16
TRELTR FMN NB3 CB2 CB4 0 1.40 120. 0. 60.
TRECAL FMN NB3 800. 100. 5. 0. *8 48.37 1837. -0.28 48.37 1837. 1 12
TRELTR FMN H3 NB3 *5 0 1. 120. 180. 60.
TRECAL FMN H3 895. 90. 2. 88. *8 0. 0. 0.28 0. 0. 1 1
TRELTR FMN CB4 NB3 CG4 0 1.40 120. 0. 60.
TRECAL FMN CB4 800. 100. 5. 0. *8 48.37 1837. 0.38 48.37 1837. 1 12
TRELTR FMN OB4 CB4 *5 0 1.23 120. 180. 60.
TRECAL FMN OB4 1200. 100. 8.1 81. *8 47.56 861. -0.380 47.56 861. 1 16
TRELTR FMN CG4 CB4 NB5 0 1.39 120. 0. 60.
TRECAL FMN CG4 1000. 100. 5. 0. *8 48.37 1837. -0.180 48.37 1837. 1 12
TRELTR FMN CG1X CG4 *5 -9 1.39 108. 0. 60.
TRECAL FMN CG1X 1000. 100. 27. 0. 0. 0. 0. 0.360 0. 0. 0 0
TRELTR FMN NB5 CG4 CG5 0 1.34 116. 180. 60.
TRECAL FMN NB5 1000. 100. 20. 0. *8 49.35 1300. 0.36 49.35 1300. 1 14
TRELTR FMN CG5 NB5 CB6 0 1.34 117. 180. 60.
TRECAL FMN CG5 1000. 100. 5. 0. *8 48.37 1837. -0.18 48.37 1837. 1 12
TRELTR FMN CG9Y CG5 *5 -9 1.39 124. 0. 60.
TRECAL FMN CG9Y 1000. 100. 27. 0. 0. 0. 0. 0.20 0. 0. 0 0
TRELTR FMN CB6 CG5 CB7 0 1.39 116. 180. 60.
TRECAL FMN CB6 1000. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CB7 CB6 CB8 0 1.39 120. 180. 60.
TRECAL FMN CB7 1000. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CG7 CB7 *5 0 1.53 120. 180. 60.
TRECAL FMN CG7 800. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CB8 CB7 CB9 0 1.39 120. 0. 60.
TRECAL FMN CB8 1000. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CG8 CB8 *5 0 1.53 120. 180. 60.
TRECAL FMN CG8 800. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CB9 CB8 CG9 0 1.39 120. 0. 60.
TRECAL FMN CB9 1000. 100. 5. 0. *8 48.37 1837. 0. 48.37 1837. 1 12
TRELTR FMN CG9 CB9 CG5X 0 1.39 120. 0. 60.
TRECAL FMN CG9 1000. 100. 5. 0. *8 48.37 1837. 0.20 48.37 1837. 1 12
TRELTR FMN CG5X CG9 *5 -9 1.39 120. 0. 60.
TRECAL FMN CG5X 1000. 100. 27. 0. 0. 0. 0. 0.10 0. 0. 0 0
: DIOXANE
TRELTR DIO OA *4 CB 1 0 0 0 0 0 0
TRECAL DIO OA 800. 110. 0. 54. 2.8 95.38 5944. -.548 68.73 2667. 1 16
TRELTR DIO CZ OA CE -1 1.43 112. 0 56 3 -57.0
TRECAL DIO CZ 800. 110. 0. 54. 2.8 95.38 5944. .274 68.73 2667. 0 14
TRELTR DIO CE CZ *5 -1 1.53 109. 180. 56 3 57.
TRECAL DIO CE 800. 110. 0. 54. 2.8 95.38 5944. .274 68.73 2667. 0 14
TRELTR DIO CB OA CG -1 1.43 112. 0 56 3 57.0
TRECAL DIO CB 800. 110. 0. 54. 2.8 95.38 5944. .274 68.73 2667. 0 14
TRELTR DIO CG CB OD -1 1.53 109. 0 56 3 -57.0
TRECAL DIO CG 800. 110. 0. 54. 2.8 95.38 5944. .274 68.73 2667. 0 14
TRELTR DIO OD CG CZX -1 1.43 109. 0. 56 3 57.0
TRECAL DIO OD 800. 110. 0. 54. 2.8 95.38 5944. -.548 68.73 2667. 1 16
TRELTR DIO CEX OD CZX -9 1.43 112. 0. 56 3 -57
TRECAL DIO CEX 800. 110. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR DIO CZX CEX OAX -9 1.53 109. 0. 56 3 57
TRECAL DIO CZX 800. 110. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR DIO OAX CZX *5 -9 1.43 109. 0. 60.0 3 57
TRECAL DIO OAX 800. 110. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
: CYCLOHEXYLAMINE (AMINOCYCLOHEXANE)
TRELTR ACH CA *4 CB 1 0 0 0 0 0 0
TRECAL ACH CA 600. 115. 0. 55. 2.8 95.38 5944.  .000 68.73 2667. 1 14
TRELTR ACH CZ CA CE -1 1.53 110. 0 56 3 -57.0
TRECAL ACH CZ 600. 115. 0. 54. 2.8 95.38 5944. .000 68.73 2667. 0 14
TRELTR ACH CE CZ *5 -1 1.53 110. 180. 56 3 57.
TRECAL ACH CE 600. 115. 0. 54. 2.8 95.38 5944. .000 68.73 2667. 0 14
TRELTR ACH CB CA CG -1 1.53 110. 0 56 3 57.0
TRECAL ACH CB 600. 115. 0. 54. 2.8 95.38 5944. .000 68.73 2667. 0 14
TRELTR ACH CG CB CD -1 1.53 110. 0 56 3 -57.0
TRECAL ACH CG 600. 115. 0. 54. 2.8 95.38 5944. .000 68.73 2667. 0 14
TRELTR ACH CD CG NE -1 1.53 110. 0. 56 3 57.0
TRECAL ACH CD 600. 115. 0. 54. 2.8 95.38 5944.  .000 68.73 2667. 0 13
TRELTR ACH CEX CD CZX -9 1.53 110. 0. 56 3 -57
TRECAL ACH CEX 600. 115. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR ACH CZX CEX CAX -9 1.53 109. 0. 56 3 57
TRECAL ACH CZX 600. 115. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR ACH CAX CZX *5 -9 1.43 109. 0. 60.0 3 57
TRECAL ACH CAX 600. 110. 0. 54. 0. 0. 0. 0. 0. 0. 0 0
TRELTR ACH NE CD HNE1 0 1.320 116. 180. 0.0
TRECAL ACH NE 1090. 120. 0. 0. 0. 49. 1300. -0.830 49. 1300. 1 14
TRELTR ACH HNE2 NE *5 0 1. 120. 0. 120.0
TRECAL ACH HNE2 895. 70. 1.4 80. 0. 0. 0. 0.415 0. 0. 1 1
TRELTR ACH HNE1 NE *5 0 1. 120. 180. 0.0
TRECAL ACH HNE1 895. 70. 10. 0. 0. 0. 0. 0.415 0. 0. 1 1
: DISORDERED SERINE (discrete positions like threonine)
TRELTR SR2 N C  CA 1 1.31 117.1 180. 62.0
TRECAL SR2 N 1090. 120. 0. 81. 0. 49.36 1300. -0.280 49.36 1300. 1 14
TRELTR SR2 H  N *5 0 1. 123. 0. 57.0
TRECAL SR2 H  895. 70. 1.4 44. 0. 0. 0. 0.280 0. 0. 1 1
TRELTR SR2 CA N C -1 1.460 120.0 180. 57. 3. 0.0
TRECAL SR2 CA 760. 124. 10. 44. 0.6 111.80 8470.4 0. 53.96 1933. 0 13
TRELTR SR2 CB CA OG1 -1 1.530 110. 60. 55. 3. 180.0
TRECAL SR2 CB 600. 112. 0. 55. 2.8 111.80 8470.4 0.150 53.96 1933. 1 13
TRELTR SR2 OG2 CB HG2 -1 1.420 110. 60. 56.0 3. 180.
TRECAL SR2 OG2 720. 108. 0. 54. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR SR2 HG2 OG2 *5 0 1. 109.5 180. 0.0
TRECAL SR2 HG2 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR SR2 OG1 CB HG1 -1 1.420 110. 180. 56. 3. 180.0
TRECAL SR2 OG1 720. 108. 0. 54. 0.9 47.56 1230. -0.548 47.56 860. 1 16
TRELTR SR2 HG1 OG1 *5 0 1. 109.5 180. 0.0
TRECAL SR2 HG1 750. 95. 0. 0. 0. 0. 0. 0.398 0. 0. 1 1
TRELTR SR2 C CA N  1 1.510 110.7 180. 55. 3. 180.0
TRECAL SR2 C 740. 112. 0. 57. 0.2 48.37 1837. 0.380 48.37 1837. 1 12
TRELTR SR2 O C *5 0 1.240 120.8 0. 62.0
TRECAL SR2 O 1390. 124. 8.1 81. 0. 47.56 861. -0.380 47.56 861. 1 16
ENDICT
