*HEADER    RNA BINDING PROTEIN                     29-MAY-15   2N3G              
*TITLE     SOLUTION STRUCTURE OF DRB4 DSRBD1 (VIZ. DRB4(1-72))                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DOUBLE-STRANDED RNA-BINDING PROTEIN 4;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DRBM 1 DOMAIN RESIDUES 1-72;                               
*COMPND   5 SYNONYM: DSRNA-BINDING PROTEIN 4, ATDRB4;                            
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   4 ORGANISM_TAXID: 3702;                                                
*SOURCE   5 GENE: DBR4, AT3G62800, F26K9.230;                                    
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-30A                                    
*KEYWDS    RNAI, RNA BINDING PROTEIN                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.DESHMUKH, S.CHILIVERI                                               
*REVDAT   1   07-SEP-16 2N3G    0                                                


!! Torsion angles

! 1. Y 5 Phi -60.88 +/- 21.41 (-82.30 to -39.47)

assign (resid   4 and name  C) (resid   5 and name  N) 
       (resid   5 and name CA) (resid   5 and name  C) 1.0   -60.88    21.41 2

! 2. K 6 Phi -63.96 +/- 13.15 (-77.11 to -50.81)

assign (resid   5 and name  C) (resid   6 and name  N) 
       (resid   6 and name CA) (resid   6 and name  C) 1.0   -63.96    13.15 2

! 3. G 7 Phi -67.90 +/- 14.19 (-82.08 to -53.71)

assign (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -67.90    14.19 2

! 4. Q 8 Phi -65.47 +/- 10.59 (-76.05 to -54.88)

assign (resid   7 and name  C) (resid   8 and name  N) 
       (resid   8 and name CA) (resid   8 and name  C) 1.0   -65.47    10.59 2

! 5. L 9 Phi -66.59 +/- 8.19 (-74.78 to -58.40)

assign (resid   8 and name  C) (resid   9 and name  N) 
       (resid   9 and name CA) (resid   9 and name  C) 1.0   -66.59     8.19 2

! 6. Q 10 Phi -61.30 +/- 9.12 (-70.42 to -52.18)

assign (resid   9 and name  C) (resid  10 and name  N) 
       (resid  10 and name CA) (resid  10 and name  C) 1.0   -61.30     9.12 2

! 7. A 11 Phi -66.20 +/- 14.47 (-80.67 to -51.73)

assign (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (resid  11 and name  C) 1.0   -66.20    14.47 2

! 8. Y 12 Phi -68.21 +/- 16.96 (-85.16 to -51.25)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -68.21    16.96 2

! 9. A 13 Phi -61.20 +/- 9.14 (-70.33 to -52.06)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0   -61.20     9.14 2

! 10. L 14 Phi -65.39 +/- 13.72 (-79.11 to -51.67)

assign (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (resid  14 and name  C) 1.0   -65.39    15.0 2

! 11. Q 15 Phi -65.03 +/- 10.05 (-75.08 to -54.99)

assign (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (resid  15 and name  C) 1.0   -65.03    15.0  2

! 12. H 16 Phi -94.62 +/- 20.53 (-115.15 to -74.09)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0   -94.62    20.53 2

! 13. N 17 Phi 61.02 +/- 30.30 (30.72 to 91.32)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0    61.02    30.30 2

! 14. E 19 Phi -75.46 +/- 39.35 (-114.81 to -36.11)

assign (resid  18 and name  C) (resid  19 and name  N) 
       (resid  19 and name CA) (resid  19 and name  C) 1.0   -75.46    39.35 2

! 15. L 20 Phi -80.00 +/- 33.02 (-113.03 to -46.98)

assign (resid  19 and name  C) (resid  20 and name  N) 
       (resid  20 and name CA) (resid  20 and name  C) 1.0   -80.00    33.02 2

! 16. P 21 Phi -70.72 +/- 12.67 (-83.39 to -58.06)

assign (resid  20 and name  C) (resid  21 and name  N) 
       (resid  21 and name CA) (resid  21 and name  C) 1.0   -70.72    12.67 2

! 17. V 22 Phi -103.64 +/- 43.22 (-146.86 to -60.42)

assign (resid  21 and name  C) (resid  22 and name  N) 
       (resid  22 and name CA) (resid  22 and name  C) 1.0  -103.64    43.22 2

! 18. Y 23 Phi -108.24 +/- 54.04 (-162.28 to -54.20)

assign (resid  22 and name  C) (resid  23 and name  N) 
       (resid  23 and name CA) (resid  23 and name  C) 1.0  -108.24    54.04 2

! 19. A 24 Phi -117.25 +/- 22.07 (-139.32 to -95.19)

assign (resid  23 and name  C) (resid  24 and name  N) 
       (resid  24 and name CA) (resid  24 and name  C) 1.0  -117.25    22.07 2

! 20. N 25 Phi -138.59 +/- 25.32 (-163.91 to -113.27)

assign (resid  24 and name  C) (resid  25 and name  N) 
       (resid  25 and name CA) (resid  25 and name  C) 1.0  -138.59    25.32 2

! 21. E 26 Phi -136.59 +/- 28.06 (-164.65 to -108.53)

assign (resid  25 and name  C) (resid  26 and name  N) 
       (resid  26 and name CA) (resid  26 and name  C) 1.0  -136.59    28.06 2

! 22. R 27 Phi -117.51 +/- 26.63 (-144.14 to -90.88)

assign (resid  26 and name  C) (resid  27 and name  N) 
       (resid  27 and name CA) (resid  27 and name  C) 1.0  -117.51    26.63 2

! 23. E 28 Phi -130.38 +/- 33.59 (-163.97 to -96.79)

assign (resid  27 and name  C) (resid  28 and name  N) 
       (resid  28 and name CA) (resid  28 and name  C) 1.0  -130.38    33.59 2

! 24. G 29 Phi -117.63 +/- 93.93 (-211.56 to -23.70)

assign (resid  28 and name  C) (resid  29 and name  N) 
       (resid  29 and name CA) (resid  29 and name  C) 1.0  -117.63    93.93 2

! 25. P 30 Phi -66.08 +/- 17.14 (-83.23 to -48.94)

assign (resid  29 and name  C) (resid  30 and name  N) 
       (resid  30 and name CA) (resid  30 and name  C) 1.0   -66.08    20.0 2

! 26. P 31 Phi -55.81 +/- 15.73 (-71.54 to -40.09)

assign (resid  30 and name  C) (resid  31 and name  N) 
       (resid  31 and name CA) (resid  31 and name  C) 1.0   -55.81    15.73 2

! 27. H 32 Phi -88.66 +/- 18.66 (-107.32 to -69.99)

assign (resid  31 and name  C) (resid  32 and name  N) 
       (resid  32 and name CA) (resid  32 and name  C) 1.0   -88.66    18.66 2

! 28. A 33 Phi -77.91 +/- 58.35 (-136.26 to -19.55)

assign (resid  32 and name  C) (resid  33 and name  N) 
       (resid  33 and name CA) (resid  33 and name  C) 1.0   -77.91    60.0 2

! 29. F 36 Phi -139.56 +/- 23.38 (-162.94 to -116.17)

assign (resid  35 and name  C) (resid  36 and name  N) 
       (resid  36 and name CA) (resid  36 and name  C) 1.0  -139.56    23.38 2

! 30. R 37 Phi -129.54 +/- 40.66 (-170.19 to -88.88)

assign (resid  36 and name  C) (resid  37 and name  N) 
       (resid  37 and name CA) (resid  37 and name  C) 1.0  -129.54    40.66 2

! 31. C 38 Phi -122.10 +/- 22.83 (-144.92 to -99.27)

assign (resid  37 and name  C) (resid  38 and name  N) 
       (resid  38 and name CA) (resid  38 and name  C) 1.0  -122.10    22.83 2

! 32. N 39 Phi -128.40 +/- 31.70 (-160.10 to -96.69)

assign (resid  38 and name  C) (resid  39 and name  N) 
       (resid  39 and name CA) (resid  39 and name  C) 1.0  -128.40    31.70 2

! 33. V 40 Phi -138.58 +/- 44.82 (-183.40 to -93.76)

assign (resid  39 and name  C) (resid  40 and name  N) 
       (resid  40 and name CA) (resid  40 and name  C) 1.0  -138.58    44.82 2

! 34. T 41 Phi -102.09 +/- 30.32 (-132.41 to -71.77)

assign (resid  40 and name  C) (resid  41 and name  N) 
       (resid  41 and name CA) (resid  41 and name  C) 1.0  -102.09    30.32 2

! 35. F 42 Phi -135.59 +/- 38.95 (-174.54 to -96.63)

assign (resid  41 and name  C) (resid  42 and name  N) 
       (resid  42 and name CA) (resid  42 and name  C) 1.0  -135.59    38.95 2

! 36. C 43 Phi 52.38 +/- 9.34 (43.04 to 61.73)

assign (resid  42 and name  C) (resid  43 and name  N) 
       (resid  43 and name CA) (resid  43 and name  C) 1.0    52.38     9.34 2

! 37. G 44 Phi 73.72 +/- 19.23 (54.48 to 92.95)

assign (resid  43 and name  C) (resid  44 and name  N) 
       (resid  44 and name CA) (resid  44 and name  C) 1.0    73.72    19.23 2

! 38. Q 45 Phi -114.51 +/- 28.54 (-143.05 to -85.97)

assign (resid  44 and name  C) (resid  45 and name  N) 
       (resid  45 and name CA) (resid  45 and name  C) 1.0  -114.51    28.54 2

! 39. T 46 Phi -97.90 +/- 20.21 (-118.11 to -77.69)

assign (resid  45 and name  C) (resid  46 and name  N) 
       (resid  46 and name CA) (resid  46 and name  C) 1.0   -97.90    20.21 2

! 40. F 47 Phi -97.23 +/- 38.36 (-135.59 to -58.88)

assign (resid  46 and name  C) (resid  47 and name  N) 
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -97.23    38.36 2

! 41. Q 48 Phi -116.71 +/- 37.19 (-153.89 to -79.52)

assign (resid  47 and name  C) (resid  48 and name  N) 
       (resid  48 and name CA) (resid  48 and name  C) 1.0  -116.71    37.19 2

! 42. S 49 Phi -82.96 +/- 17.34 (-100.30 to -65.62)

assign (resid  48 and name  C) (resid  49 and name  N) 
       (resid  49 and name CA) (resid  49 and name  C) 1.0   -82.96    17.34 2

! 43. S 50 Phi -96.02 +/- 29.05 (-125.06 to -66.97)

assign (resid  49 and name  C) (resid  50 and name  N) 
       (resid  50 and name CA) (resid  50 and name  C) 1.0   -96.02    29.05 2

! 44. F 52 Phi -115.15 +/- 44.11 (-159.25 to -71.04)

assign (resid  51 and name  C) (resid  52 and name  N) 
       (resid  52 and name CA) (resid  52 and name  C) 1.0  -115.15    44.11 2

! 45. P 54 Phi -65.38 +/- 30.00 (-95.38 to -35.37)

assign (resid  53 and name  C) (resid  54 and name  N) 
       (resid  54 and name CA) (resid  54 and name  C) 1.0   -65.38    30.00 2

! 46. T 55 Phi -132.29 +/- 41.65 (-173.94 to -90.64)

assign (resid  54 and name  C) (resid  55 and name  N) 
       (resid  55 and name CA) (resid  55 and name  C) 1.0  -132.29    41.65 2

! 47. L 56 Phi -64.23 +/- 16.03 (-80.26 to -48.20)

assign (resid  55 and name  C) (resid  56 and name  N) 
       (resid  56 and name CA) (resid  56 and name  C) 1.0   -64.23    16.03 2

! 48. K 57 Phi -63.11 +/- 5.74 (-68.85 to -57.36)

assign (resid  56 and name  C) (resid  57 and name  N) 
       (resid  57 and name CA) (resid  57 and name  C) 1.0   -63.11     5.74 2

! 49. S 58 Phi -63.05 +/- 8.83 (-71.88 to -54.22)

assign (resid  57 and name  C) (resid  58 and name  N) 
       (resid  58 and name CA) (resid  58 and name  C) 1.0   -63.05     8.83 2

! 50. A 59 Phi -63.40 +/- 9.90 (-73.30 to -53.50)

assign (resid  58 and name  C) (resid  59 and name  N) 
       (resid  59 and name CA) (resid  59 and name  C) 1.0   -63.40     9.90 2

! 51. E 60 Phi -63.24 +/- 9.31 (-72.55 to -53.93)

assign (resid  59 and name  C) (resid  60 and name  N) 
       (resid  60 and name CA) (resid  60 and name  C) 1.0   -63.24     9.31 2

! 52. H 61 Phi -64.76 +/- 13.35 (-78.11 to -51.41)

assign (resid  60 and name  C) (resid  61 and name  N) 
       (resid  61 and name CA) (resid  61 and name  C) 1.0   -64.76    13.35 2

! 53. A 62 Phi -65.28 +/- 12.68 (-77.97 to -52.60)

assign (resid  61 and name  C) (resid  62 and name  N) 
       (resid  62 and name CA) (resid  62 and name  C) 1.0   -65.28    12.68 2

! 54. A 63 Phi -67.30 +/- 8.19 (-75.49 to -59.11)

assign (resid  62 and name  C) (resid  63 and name  N) 
       (resid  63 and name CA) (resid  63 and name  C) 1.0   -67.30     8.19 2

! 55. A 64 Phi -64.31 +/- 13.68 (-77.99 to -50.63)

assign (resid  63 and name  C) (resid  64 and name  N) 
       (resid  64 and name CA) (resid  64 and name  C) 1.0   -64.31    13.68 2

! 56. K 65 Phi -60.21 +/- 4.80 (-65.01 to -55.41)

assign (resid  64 and name  C) (resid  65 and name  N) 
       (resid  65 and name CA) (resid  65 and name  C) 1.0   -60.21     4.80 2

! 57. I 66 Phi -63.93 +/- 10.03 (-73.97 to -53.90)

assign (resid  65 and name  C) (resid  66 and name  N) 
       (resid  66 and name CA) (resid  66 and name  C) 1.0   -63.93    10.03 2

! 58. A 67 Phi -63.65 +/- 7.96 (-71.61 to -55.69)

assign (resid  66 and name  C) (resid  67 and name  N) 
       (resid  67 and name CA) (resid  67 and name  C) 1.0   -63.65     7.96 2

! 59. V 68 Phi -65.47 +/- 9.37 (-74.84 to -56.10)

assign (resid  67 and name  C) (resid  68 and name  N) 
       (resid  68 and name CA) (resid  68 and name  C) 1.0   -65.47     9.37 2

! 60. A 69 Phi -65.61 +/- 14.45 (-80.06 to -51.16)

assign (resid  68 and name  C) (resid  69 and name  N) 
       (resid  69 and name CA) (resid  69 and name  C) 1.0   -65.61    14.45 2

! 61. S 70 Phi -75.08 +/- 35.53 (-110.61 to -39.55)

assign (resid  69 and name  C) (resid  70 and name  N) 
       (resid  70 and name CA) (resid  70 and name  C) 1.0   -75.08    35.53 2


! 123. Y 5 Psi -40.46 +/- 24.65 (-65.11 to -15.81)

assign (resid   5 and name  N) (resid   5 and name CA) 
       (resid   5 and name  C) (resid   6 and name  N) 1.0   -40.46    24.65 2

! 124. K 6 Psi -40.29 +/- 8.51 (-48.80 to -31.77)

assign (resid   6 and name  N) (resid   6 and name CA) 
       (resid   6 and name  C) (resid   7 and name  N) 1.0   -40.29     8.51 2

! 125. G 7 Psi -37.03 +/- 9.52 (-46.55 to -27.50)

assign (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (resid   8 and name  N) 1.0   -37.03     12.0 2

! 126. Q 8 Psi -39.29 +/- 10.80 (-50.09 to -28.49)

assign (resid   8 and name  N) (resid   8 and name CA) 
       (resid   8 and name  C) (resid   9 and name  N) 1.0   -39.29    10.80 2

! 127. L 9 Psi -41.25 +/- 7.12 (-48.37 to -34.13)

assign (resid   9 and name  N) (resid   9 and name CA) 
       (resid   9 and name  C) (resid  10 and name  N) 1.0   -41.25     7.12 2

! 128. Q 10 Psi -42.83 +/- 10.79 (-53.61 to -32.04)

assign (resid  10 and name  N) (resid  10 and name CA) 
       (resid  10 and name  C) (resid  11 and name  N) 1.0   -42.83    10.79 2

! 129. A 11 Psi -35.72 +/- 27.27 (-62.98 to -8.45)

assign (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (resid  12 and name  N) 1.0   -35.72    27.27 2

! 130. Y 12 Psi -42.42 +/- 14.33 (-56.75 to -28.09)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   -42.42    14.33 2

! 131. A 13 Psi -46.24 +/- 9.74 (-55.97 to -36.50)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0   -46.24     9.74 2

! 132. L 14 Psi -38.98 +/- 13.62 (-52.60 to -25.35)

assign (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (resid  15 and name  N) 1.0   -38.98    20.0 2

! 133. Q 15 Psi -32.24 +/- 17.33 (-49.57 to -14.91)

assign (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (resid  16 and name  N) 1.0   -32.24    17.33 2

! 134. H 16 Psi 2.09 +/- 14.41 (-12.32 to 16.50)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0     2.09    14.41 2

! 135. N 17 Psi 37.10 +/- 27.87 (9.24 to 64.97)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0    37.10    27.87 2

! 136. E 19 Psi 145.72 +/- 22.69 (123.03 to 168.41)

assign (resid  19 and name  N) (resid  19 and name CA) 
       (resid  19 and name  C) (resid  20 and name  N) 1.0   145.72    22.69 2

! 137. L 20 Psi 144.55 +/- 32.66 (111.90 to 177.21)

assign (resid  20 and name  N) (resid  20 and name CA) 
       (resid  20 and name  C) (resid  21 and name  N) 1.0   144.55    32.66 2

! 138. P 21 Psi 150.58 +/- 13.65 (136.94 to 164.23)

assign (resid  21 and name  N) (resid  21 and name CA) 
       (resid  21 and name  C) (resid  22 and name  N) 1.0   150.58    13.65 2

! 139. V 22 Psi 126.80 +/- 27.74 (99.07 to 154.54)

assign (resid  22 and name  N) (resid  22 and name CA) 
       (resid  22 and name  C) (resid  23 and name  N) 1.0   126.80    27.74 2

! 140. Y 23 Psi 128.09 +/- 23.86 (104.24 to 151.95)

assign (resid  23 and name  N) (resid  23 and name CA) 
       (resid  23 and name  C) (resid  24 and name  N) 1.0   128.09    23.86 2

! 141. A 24 Psi 140.87 +/- 35.24 (105.63 to 176.10)

assign (resid  24 and name  N) (resid  24 and name CA) 
       (resid  24 and name  C) (resid  25 and name  N) 1.0   140.87    35.24 2

! 142. N 25 Psi 150.32 +/- 37.27 (113.04 to 187.59)

assign (resid  25 and name  N) (resid  25 and name CA) 
       (resid  25 and name  C) (resid  26 and name  N) 1.0   150.32    37.27 2

! 143. E 26 Psi 135.79 +/- 13.53 (122.26 to 149.32)

assign (resid  26 and name  N) (resid  26 and name CA) 
       (resid  26 and name  C) (resid  27 and name  N) 1.0   135.79    13.53 2

! 144. R 27 Psi 130.24 +/- 23.89 (106.35 to 154.13)

assign (resid  27 and name  N) (resid  27 and name CA) 
       (resid  27 and name  C) (resid  28 and name  N) 1.0   130.24    23.89 2

! 145. E 28 Psi 140.74 +/- 38.05 (102.69 to 178.79)

assign (resid  28 and name  N) (resid  28 and name CA) 
       (resid  28 and name  C) (resid  29 and name  N) 1.0   140.74    38.05 2

! 146. G 29 Psi 138.91 +/- 64.77 (74.14 to 203.68)

assign (resid  29 and name  N) (resid  29 and name CA) 
       (resid  29 and name  C) (resid  30 and name  N) 1.0   138.91    64.77 2

! 147. P 30 Psi 147.88 +/- 21.23 (126.66 to 169.11)

assign (resid  30 and name  N) (resid  30 and name CA) 
       (resid  30 and name  C) (resid  31 and name  N) 1.0   147.88    21.23 2

! 148. P 31 Psi -27.89 +/- 21.08 (-48.97 to -6.81)

assign (resid  31 and name  N) (resid  31 and name CA) 
       (resid  31 and name  C) (resid  32 and name  N) 1.0   -27.89    25.0 2

! 149. H 32 Psi -1.94 +/- 21.76 (-23.70 to 19.82)

assign (resid  32 and name  N) (resid  32 and name CA) 
       (resid  32 and name  C) (resid  33 and name  N) 1.0    -1.94    21.76 2

! 150. A 33 Psi 124.83 +/- 61.04 (63.79 to 185.87)

assign (resid  33 and name  N) (resid  33 and name CA) 
       (resid  33 and name  C) (resid  34 and name  N) 1.0   124.83    61.04 2

! 151. F 36 Psi 144.74 +/- 28.31 (116.43 to 173.05)

assign (resid  36 and name  N) (resid  36 and name CA) 
       (resid  36 and name  C) (resid  37 and name  N) 1.0   144.74    35.31 2

! 152. R 37 Psi 129.98 +/- 21.43 (108.55 to 151.41)

assign (resid  37 and name  N) (resid  37 and name CA) 
       (resid  37 and name  C) (resid  38 and name  N) 1.0   129.98    21.43 2

! 153. C 38 Psi 138.52 +/- 32.04 (106.49 to 170.56)

assign (resid  38 and name  N) (resid  38 and name CA) 
       (resid  38 and name  C) (resid  39 and name  N) 1.0   138.52    32.04 2

! 154. N 39 Psi 144.95 +/- 14.15 (130.80 to 159.10)

assign (resid  39 and name  N) (resid  39 and name CA) 
       (resid  39 and name  C) (resid  40 and name  N) 1.0   144.95    14.15 2

! 155. V 40 Psi 135.10 +/- 14.11 (120.99 to 149.22)

assign (resid  40 and name  N) (resid  40 and name CA) 
       (resid  40 and name  C) (resid  41 and name  N) 1.0   135.10    14.11 2

! 156. T 41 Psi 124.43 +/- 25.71 (98.72 to 150.13)

assign (resid  41 and name  N) (resid  41 and name CA) 
       (resid  41 and name  C) (resid  42 and name  N) 1.0   124.43    25.71 2

! 157. F 42 Psi 128.32 +/- 30.47 (97.85 to 158.78)

assign (resid  42 and name  N) (resid  42 and name CA) 
       (resid  42 and name  C) (resid  43 and name  N) 1.0   128.32    30.47 2

! 158. C 43 Psi 42.51 +/- 9.14 (33.37 to 51.65)

assign (resid  43 and name  N) (resid  43 and name CA) 
       (resid  43 and name  C) (resid  44 and name  N) 1.0    42.51     9.14 2

! 159. G 44 Psi 9.69 +/- 24.26 (-14.57 to 33.95)

assign (resid  44 and name  N) (resid  44 and name CA) 
       (resid  44 and name  C) (resid  45 and name  N) 1.0     9.69    24.26 2

! 160. Q 45 Psi 141.10 +/- 21.06 (120.04 to 162.16)

assign (resid  45 and name  N) (resid  45 and name CA) 
       (resid  45 and name  C) (resid  46 and name  N) 1.0   141.10    21.06 2

! 161. T 46 Psi 122.76 +/- 22.47 (100.28 to 145.23)

assign (resid  46 and name  N) (resid  46 and name CA) 
       (resid  46 and name  C) (resid  47 and name  N) 1.0   122.76    22.47 2

! 162. F 47 Psi 123.64 +/- 16.05 (107.59 to 139.69)

assign (resid  47 and name  N) (resid  47 and name CA) 
       (resid  47 and name  C) (resid  48 and name  N) 1.0   123.64    16.05 2

! 163. Q 48 Psi 138.10 +/- 39.39 (98.70 to 177.49)

assign (resid  48 and name  N) (resid  48 and name CA) 
       (resid  48 and name  C) (resid  49 and name  N) 1.0   138.10    39.39 2

! 164. S 49 Psi 128.43 +/- 44.70 (83.73 to 173.12)

assign (resid  49 and name  N) (resid  49 and name CA) 
       (resid  49 and name  C) (resid  50 and name  N) 1.0   128.43    44.70 2

! 165. S 50 Psi -7.68 +/- 32.91 (-40.59 to 25.23)

assign (resid  50 and name  N) (resid  50 and name CA) 
       (resid  50 and name  C) (resid  51 and name  N) 1.0    -7.68    32.91 2

! 166. F 52 Psi 142.73 +/- 21.90 (120.83 to 164.63)

assign (resid  52 and name  N) (resid  52 and name CA) 
       (resid  52 and name  C) (resid  53 and name  N) 1.0   142.73    21.90 2

! 167. P 54 Psi -25.54 +/- 20.32 (-45.86 to -5.21)

assign (resid  54 and name  N) (resid  54 and name CA) 
       (resid  54 and name  C) (resid  55 and name  N) 1.0   -25.54    20.32 2

! 168. T 55 Psi 160.75 +/- 19.62 (141.13 to 180.38)

assign (resid  55 and name  N) (resid  55 and name CA) 
       (resid  55 and name  C) (resid  56 and name  N) 1.0   160.75    19.62 2

! 169. L 56 Psi -36.73 +/- 19.09 (-55.81 to -17.64)

assign (resid  56 and name  N) (resid  56 and name CA) 
       (resid  56 and name  C) (resid  57 and name  N) 1.0   -36.73    23.0 2

! 170. K 57 Psi -39.52 +/- 6.13 (-45.65 to -33.38)

assign (resid  57 and name  N) (resid  57 and name CA) 
       (resid  57 and name  C) (resid  58 and name  N) 1.0   -39.52     6.13 2

! 171. S 58 Psi -41.43 +/- 8.43 (-49.86 to -33.01)

assign (resid  58 and name  N) (resid  58 and name CA) 
       (resid  58 and name  C) (resid  59 and name  N) 1.0   -41.43     8.43 2

! 172. A 59 Psi -42.04 +/- 14.12 (-56.16 to -27.92)

assign (resid  59 and name  N) (resid  59 and name CA) 
       (resid  59 and name  C) (resid  60 and name  N) 1.0   -42.04    14.12 2

! 173. E 60 Psi -43.01 +/- 9.24 (-52.25 to -33.77)

assign (resid  60 and name  N) (resid  60 and name CA) 
       (resid  60 and name  C) (resid  61 and name  N) 1.0   -43.01     9.24 2

! 174. H 61 Psi -41.60 +/- 17.81 (-59.41 to -23.79)

assign (resid  61 and name  N) (resid  61 and name CA) 
       (resid  61 and name  C) (resid  62 and name  N) 1.0   -41.60    17.81 2

! 175. A 62 Psi -44.36 +/- 12.58 (-56.94 to -31.78)

assign (resid  62 and name  N) (resid  62 and name CA) 
       (resid  62 and name  C) (resid  63 and name  N) 1.0   -44.36    12.58 2

! 176. A 63 Psi -41.76 +/- 10.90 (-52.66 to -30.86)

assign (resid  63 and name  N) (resid  63 and name CA) 
       (resid  63 and name  C) (resid  64 and name  N) 1.0   -41.76    10.90 2

! 177. A 64 Psi -36.59 +/- 10.63 (-47.22 to -25.96)

assign (resid  64 and name  N) (resid  64 and name CA) 
       (resid  64 and name  C) (resid  65 and name  N) 1.0   -36.59    10.63 2

! 178. K 65 Psi -46.10 +/- 7.88 (-53.98 to -38.22)

assign (resid  65 and name  N) (resid  65 and name CA) 
       (resid  65 and name  C) (resid  66 and name  N) 1.0   -46.10     7.88 2

! 179. I 66 Psi -40.70 +/- 15.35 (-56.05 to -25.34)

assign (resid  66 and name  N) (resid  66 and name CA) 
       (resid  66 and name  C) (resid  67 and name  N) 1.0   -40.70    15.35 2

! 180. A 67 Psi -38.92 +/- 15.33 (-54.25 to -23.59)

assign (resid  67 and name  N) (resid  67 and name CA) 
       (resid  67 and name  C) (resid  68 and name  N) 1.0   -38.92    15.33 2

! 181. V 68 Psi -42.87 +/- 14.16 (-57.02 to -28.71)

assign (resid  68 and name  N) (resid  68 and name CA) 
       (resid  68 and name  C) (resid  69 and name  N) 1.0   -42.87    14.16 2

! 182. A 69 Psi -26.66 +/- 36.83 (-63.48 to 10.17)

assign (resid  69 and name  N) (resid  69 and name CA) 
       (resid  69 and name  C) (resid  70 and name  N) 1.0   -26.66    36.83 2

! 183. S 70 Psi -28.45 +/- 48.38 (-76.84 to 19.93)

assign (resid  70 and name  N) (resid  70 and name CA) 
       (resid  70 and name  C) (resid  71 and name  N) 1.0   -28.45    48.38 2

!! NH RDCs

 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid   4  and name N   )
        ( resid   4  and name HN  )  -1.9900  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid   5  and name N   )
        ( resid   5  and name HN  )  -16.7500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid   8  and name N   )
        ( resid   8  and name HN  )  -20.1700  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid   9  and name N   )
        ( resid   9  and name HN  )  -11.3500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  10  and name N   )
        ( resid  10  and name HN  )  -4.2600  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  13  and name N   )
        ( resid  13  and name HN  )  -9.1900  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  14  and name N   )
        ( resid  14  and name HN  )  -6.2400  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  18  and name N   )
        ( resid  18  and name HN  )  9.6600  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  20  and name N   )
        ( resid  20  and name HN  )  -2.5500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  23  and name N   )
        ( resid  23  and name HN  )  13.3100  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  24  and name N   )
        ( resid  24  and name HN  )  4.5400  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  25  and name N   )
        ( resid  25  and name HN  )  -0.4200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  26  and name N   )
        ( resid  26  and name HN  )  -2.5300  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  27  and name N   )
        ( resid  27  and name HN  )  -0.8000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  28  and name N   )
        ( resid  28  and name HN  )  1.3000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  29  and name N   )
        ( resid  29  and name HN  )  7.3100  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  32  and name N   )
        ( resid  32  and name HN  )  -13.8900  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  33  and name N   )
        ( resid  33  and name HN  )  5.7800  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  35  and name N   )
        ( resid  35  and name HN  )  1.4900  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  36  and name N   )
        ( resid  36  and name HN  )  1.5700  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  37  and name N   )
        ( resid  37  and name HN  )  -3.9500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  38  and name N   )
        ( resid  38  and name HN  )  -1.6800  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  39  and name N   )
        ( resid  39  and name HN  )  6.3700  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  40  and name N   )
        ( resid  40  and name HN  )  13.7700  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  41  and name N   )
        ( resid  41  and name HN  )  20.6500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  43  and name N   )
        ( resid  43  and name HN  )  10.8000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  44  and name N   )
        ( resid  44  and name HN  )  19.1300  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  45  and name N   )
        ( resid  45  and name HN  )  10.2400  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  47  and name N   )
        ( resid  47  and name HN  )  0.0000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  48  and name N   )
        ( resid  48  and name HN  )  19.6800  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  51  and name N   )
        ( resid  51  and name HN  )  -19.5800  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  52  and name N   )
        ( resid  52  and name HN  )  -14.4200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  53  and name N   )
        ( resid  53  and name HN  )  -6.7000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  55  and name N   )
        ( resid  55  and name HN  )  13.9000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  56  and name N   )
        ( resid  56  and name HN  )  16.4200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  57  and name N   )
        ( resid  57  and name HN  )  18.9200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  58  and name N   )
        ( resid  58  and name HN  )  -1.0000  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  59  and name N   )
        ( resid  59  and name HN  )  11.0900  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  64  and name N   )
        ( resid  64  and name HN  )  16.1400  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  65  and name N   )
        ( resid  65  and name HN  )  0.1100  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  66  and name N   )
        ( resid  66  and name HN  )  1.1200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  67  and name N   )
        ( resid  67  and name HN  )  12.6600  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  68  and name N   )
        ( resid  68  and name HN  )  3.6600  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  69  and name N   )
        ( resid  69  and name HN  )  -9.4700  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  70  and name N   )
        ( resid  70  and name HN  )  11.4500  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  71  and name N   )
        ( resid  71  and name HN  )  12.5200  1.0000 
 assign ( resid 600  and name OO  )
        ( resid 600  and name Z   )
        ( resid 600  and name X   )
        ( resid 600  and name Y   )
        ( resid  72  and name N   )
        ( resid  72  and name HN  )  -9.0900  1.0000 
        
!!NOEs

assign ( resid 4 and name HN )( resid 5 and name HN ) 3.0 1.2 0.5
assign ( resid 5 and name HN )( resid 4 and name HN ) 3.0 1.2 0.5
assign ( resid 5 and name HN )( resid 6 and name HN ) 3.0 1.2 0.5
assign ( resid 6 and name HN )( resid 5 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HN )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HN )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 9 and name HN )( resid 8 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HN )( resid 10 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HN )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 8 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 10 and name HN )( resid 11 and name HN ) 3.0 1.2 0.5
assign ( resid 10 and name HN )( resid 12 and name HN ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 9 and name HN ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 10 and name HN ) 3.0 1.2 0.5
assign ( resid 11 and name HN )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 11 and name HN )( resid 13 and name HN ) 4.0 2.2 0.5
assign ( resid 12 and name HN )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 12 and name HN )( resid 11 and name HN ) 3.0 1.2 0.5
assign ( resid 12 and name HN )( resid 13 and name HN ) 3.0 1.2 0.5
assign ( resid 12 and name HN )( resid 14 and name HN ) 4.0 2.2 0.5
assign ( resid 13 and name HN )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 13 and name HN )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 13 and name HN )( resid 14 and name HN ) 3.0 1.2 0.5
assign ( resid 13 and name HN )( resid 15 and name HN ) 4.0 2.2 0.5
assign ( resid 14 and name HN )( resid 12 and name HN ) 4.0 2.2 0.5
assign ( resid 14 and name HN )( resid 13 and name HN ) 3.0 1.2 0.5
assign ( resid 14 and name HN )( resid 15 and name HN ) 3.0 1.2 0.5
assign ( resid 14 and name HN )( resid 16 and name HN ) 4.0 2.2 0.5
assign ( resid 15 and name HN )( resid 13 and name HN ) 4.0 2.2 0.5
assign ( resid 15 and name HN )( resid 14 and name HN ) 3.0 1.2 0.5
assign ( resid 15 and name HN )( resid 16 and name HN ) 3.0 1.2 0.5
assign ( resid 15 and name HN )( resid 17 and name HN ) 4.0 2.2 0.5
assign ( resid 16 and name HN )( resid 14 and name HN ) 4.0 2.2 0.5
assign ( resid 16 and name HN )( resid 15 and name HN ) 3.0 1.2 0.5
assign ( resid 16 and name HN )( resid 17 and name HN ) 3.0 1.2 0.5
assign ( resid 16 and name HN )( resid 18 and name HN ) 5.0 3.2 0.5
assign ( resid 17 and name HN )( resid 15 and name HN ) 4.0 2.2 0.5
assign ( resid 17 and name HN )( resid 16 and name HN ) 3.0 1.2 0.5
assign ( resid 17 and name HN )( resid 18 and name HN ) 3.0 1.2 0.5
assign ( resid 18 and name HN )( resid 16 and name HN ) 5.0 3.2 0.5
assign ( resid 18 and name HN )( resid 17 and name HN ) 3.0 1.2 0.5
assign ( resid 18 and name HN )( resid 19 and name HN ) 5.0 3.2 0.5
assign ( resid 19 and name HN )( resid 18 and name HN ) 5.0 3.2 0.5
assign ( resid 19 and name HN )( resid 20 and name HN ) 4.0 2.2 0.5
assign ( resid 20 and name HN )( resid 19 and name HN ) 4.0 2.2 0.5
assign ( resid 22 and name HN )( resid 23 and name HN ) 5.0 3.2 0.5
assign ( resid 22 and name HN )( resid 41 and name HN ) 3.0 1.2 0.5
assign ( resid 23 and name HN )( resid 22 and name HN ) 5.0 3.2 0.5
assign ( resid 23 and name HN )( resid 24 and name HN ) 5.0 3.2 0.5
assign ( resid 24 and name HN )( resid 23 and name HN ) 5.0 3.2 0.5
assign ( resid 24 and name HN )( resid 25 and name HN ) 5.0 3.2 0.5
assign ( resid 24 and name HN )( resid 39 and name HN ) 3.0 1.2 0.5
assign ( resid 24 and name HN )( resid 41 and name HN ) 4.0 2.2 0.5
assign ( resid 25 and name HN )( resid 24 and name HN ) 5.0 3.2 0.5
assign ( resid 25 and name HN )( resid 26 and name HN ) 5.0 3.2 0.5
assign ( resid 26 and name HN )( resid 25 and name HN ) 5.0 3.2 0.5
assign ( resid 26 and name HN )( resid 27 and name HN ) 5.0 3.2 0.5
assign ( resid 26 and name HN )( resid 37 and name HN ) 4.0 2.2 0.5
assign ( resid 26 and name HN )( resid 39 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HN )( resid 26 and name HN ) 5.0 3.2 0.5
assign ( resid 27 and name HN )( resid 28 and name HN ) 5.0 3.2 0.5
assign ( resid 28 and name HN )( resid 27 and name HN ) 5.0 3.2 0.5
assign ( resid 28 and name HN )( resid 29 and name HN ) 5.0 3.2 0.5
assign ( resid 28 and name HN )( resid 35 and name HN ) 3.0 1.2 0.5
assign ( resid 29 and name HN )( resid 28 and name HN ) 5.0 3.2 0.5
assign ( resid 29 and name HN )( resid 35 and name HN ) 5.0 3.2 0.5
assign ( resid 32 and name HN )( resid 33 and name HN ) 3.0 1.2 0.5
assign ( resid 33 and name HN )( resid 32 and name HN ) 3.0 1.2 0.5
assign ( resid 35 and name HN )( resid 28 and name HN ) 3.0 1.2 0.5
assign ( resid 35 and name HN )( resid 29 and name HN ) 5.0 3.2 0.5
assign ( resid 36 and name HN )( resid 37 and name HN ) 5.0 3.2 0.5
assign ( resid 36 and name HN )( resid 53 and name HN ) 3.0 1.2 0.5
assign ( resid 37 and name HN )( resid 26 and name HN ) 4.0 2.2 0.5
assign ( resid 37 and name HN )( resid 36 and name HN ) 5.0 3.2 0.5
assign ( resid 37 and name HN )( resid 38 and name HN ) 5.0 3.2 0.5
assign ( resid 38 and name HN )( resid 37 and name HN ) 5.0 3.2 0.5
assign ( resid 39 and name HN )( resid 24 and name HN ) 3.0 1.2 0.5
assign ( resid 39 and name HN )( resid 26 and name HN ) 4.0 2.2 1.0
assign ( resid 39 and name HN )( resid 40 and name HN ) 5.0 3.2 0.5
assign ( resid 40 and name HN )( resid 39 and name HN ) 5.0 3.2 0.5
assign ( resid 40 and name HN )( resid 47 and name HN ) 3.0 1.2 0.5
assign ( resid 41 and name HN )( resid 22 and name HN ) 3.0 1.2 0.5
assign ( resid 41 and name HN )( resid 24 and name HN ) 4.0 2.2 0.5
assign ( resid 41 and name HN )( resid 42 and name HN ) 5.0 3.2 0.5
assign ( resid 42 and name HN )( resid 41 and name HN ) 5.0 3.2 0.5
assign ( resid 42 and name HN )( resid 43 and name HN ) 4.0 2.2 0.5
assign ( resid 42 and name HN )( resid 45 and name HN ) 4.0 2.2 0.5
assign ( resid 42 and name HN )( resid 47 and name HN ) 5.0 3.2 0.5
assign ( resid 43 and name HN )( resid 42 and name HN ) 4.0 2.2 0.5
assign ( resid 43 and name HN )( resid 44 and name HN ) 3.0 1.2 0.5
assign ( resid 44 and name HN )( resid 43 and name HN ) 3.0 1.2 0.5
assign ( resid 44 and name HN )( resid 45 and name HN ) 4.0 2.2 0.5
assign ( resid 45 and name HN )( resid 42 and name HN ) 4.0 2.2 0.5
assign ( resid 45 and name HN )( resid 44 and name HN ) 4.0 2.2 0.5
assign ( resid 45 and name HN )( resid 46 and name HN ) 5.0 3.2 0.5
assign ( resid 46 and name HN )( resid 45 and name HN ) 5.0 3.2 0.5
assign ( resid 46 and name HN )( resid 47 and name HN ) 4.0 2.2 0.5
assign ( resid 47 and name HN )( resid 40 and name HN ) 3.0 1.2 0.5
assign ( resid 47 and name HN )( resid 42 and name HN ) 5.0 3.2 0.5
assign ( resid 47 and name HN )( resid 46 and name HN ) 4.0 2.2 0.5
assign ( resid 52 and name HN )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 36 and name HN ) 3.0 1.2 0.5
assign ( resid 53 and name HN )( resid 52 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 57 and name HN ) 4.0 2.2 0.5
assign ( resid 57 and name HN )( resid 56 and name HN ) 4.0 2.2 0.5
assign ( resid 57 and name HN )( resid 58 and name HN ) 3.0 1.2 0.5
assign ( resid 58 and name HN )( resid 57 and name HN ) 3.0 1.2 0.5
assign ( resid 58 and name HN )( resid 59 and name HN ) 3.0 1.2 0.5
assign ( resid 59 and name HN )( resid 58 and name HN ) 3.0 1.2 0.5
assign ( resid 59 and name HN )( resid 60 and name HN ) 3.0 1.2 0.5
assign ( resid 60 and name HN )( resid 59 and name HN ) 3.0 1.2 0.5
assign ( resid 60 and name HN )( resid 61 and name HN ) 3.0 1.2 0.5
assign ( resid 61 and name HN )( resid 60 and name HN ) 3.0 1.2 0.5
assign ( resid 61 and name HN )( resid 62 and name HN ) 3.0 1.2 0.5
assign ( resid 62 and name HN )( resid 61 and name HN ) 3.0 1.2 0.5
assign ( resid 62 and name HN )( resid 63 and name HN ) 3.0 1.2 0.5
assign ( resid 63 and name HN )( resid 62 and name HN ) 3.0 1.2 0.5
assign ( resid 63 and name HN )( resid 64 and name HN ) 3.0 1.2 0.5
assign ( resid 63 and name HN )( resid 65 and name HN ) 4.0 2.2 0.5
assign ( resid 64 and name HN )( resid 63 and name HN ) 3.0 1.2 0.5
assign ( resid 64 and name HN )( resid 65 and name HN ) 3.0 1.2 0.5
assign ( resid 65 and name HN )( resid 63 and name HN ) 4.0 2.2 0.5
assign ( resid 65 and name HN )( resid 64 and name HN ) 3.0 1.2 0.5
assign ( resid 65 and name HN )( resid 66 and name HN ) 3.0 1.2 0.5
assign ( resid 66 and name HN )( resid 65 and name HN ) 3.0 1.2 0.5
assign ( resid 66 and name HN )( resid 67 and name HN ) 3.0 1.2 0.5
assign ( resid 67 and name HN )( resid 66 and name HN ) 3.0 1.2 0.5
assign ( resid 67 and name HN )( resid 68 and name HN ) 3.0 1.2 0.5
assign ( resid 67 and name HN )( resid 69 and name HN ) 4.0 2.2 0.5
assign ( resid 68 and name HN )( resid 67 and name HN ) 3.0 1.2 0.5
assign ( resid 68 and name HN )( resid 69 and name HN ) 3.0 1.2 0.5
assign ( resid 68 and name HN )( resid 70 and name HN ) 4.0 2.2 0.5
assign ( resid 69 and name HN )( resid 67 and name HN ) 4.0 2.2 0.5
assign ( resid 69 and name HN )( resid 68 and name HN ) 3.0 1.2 0.5
assign ( resid 69 and name HN )( resid 70 and name HN ) 3.0 1.2 0.5
assign ( resid 69 and name HN )( resid 71 and name HN ) 4.0 2.2 0.5
assign ( resid 70 and name HN )( resid 68 and name HN ) 4.0 2.2 0.5
assign ( resid 70 and name HN )( resid 69 and name HN ) 3.0 1.2 0.5
assign ( resid 70 and name HN )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 71 and name HN )( resid 69 and name HN ) 4.0 2.2 0.5
assign ( resid 71 and name HN )( resid 70 and name HN ) 3.0 1.2 0.5
assign ( resid 71 and name HN )( resid 72 and name HN ) 3.0 1.2 0.5
assign ( resid 72 and name HN )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 3 and name HA )( resid 4 and name HN ) 4.0 2.2 0.5
assign ( resid 4 and name HN )( resid 3 and name HA ) 4.0 2.2 0.5
assign ( resid 4 and name HA )( resid 4 and name HN ) 3.0 1.2 0.5
assign ( resid 4 and name HB )( resid 4 and name HN) 3.0 1.2 0.5
assign ( resid 4 and name HG1# )( resid 4 and name HN ) 3.0 1.2 0.5
assign ( resid 4 and name HG2# )( resid 4 and name HN ) 4.0 2.2 0.5
assign ( resid 4 and name HN )( resid 4 and name HA ) 3.0 1.2 0.5
assign ( resid 4 and name HN )( resid 4 and name HB) 3.0 1.2 0.5
assign ( resid 4 and name HN )( resid 4 and name HG1# ) 3.0 1.2 0.5
assign ( resid 4 and name HN )( resid 4 and name HG2# ) 4.0 2.2 0.5
assign ( resid 4 and name HA )( resid 5 and name HN ) 3.0 1.2 0.5
assign ( resid 4 and name HG1# )( resid 5 and name HN ) 4.0 2.2 0.5
assign ( resid 4 and name HG2# )( resid 5 and name HN ) 4.0 2.2 0.5
assign ( resid 5 and name HN )( resid 4 and name HA ) 3.0 1.2 0.5
assign ( resid 5 and name HN )( resid 4 and name HG1# ) 4.0 2.2 0.5
assign ( resid 5 and name HN )( resid 4 and name HG2# ) 4.0 2.2 0.5
assign ( resid 5 and name HD1 )( resid 5 and name HN ) 3.0 1.2 0.5
assign ( resid 5 and name HN )( resid 5 and name HD1 ) 3.0 1.2 0.5
assign ( resid 5 and name HA )( resid 8 and name HN ) 4.0 2.2 0.5
assign ( resid 5 and name HD2 )( resid 65 and name HN ) 3.0 1.2 0.5
assign ( resid 6 and name HN )( resid 64 and name HB# ) 4.0 2.2 0.5
assign ( resid 7 and name HA# )( resid 8 and name HN ) 3.0 1.2 0.5
assign ( resid 7 and name HA# )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 8 and name HN )( resid 5 and name HA ) 4.0 2.2 0.5
assign ( resid 8 and name HN )( resid 7 and name HA# ) 3.0 1.2 0.5
assign ( resid 8 and name HA )( resid 8 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HB# )( resid 8 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HN )( resid 8 and name HA ) 3.0 1.2 0.5
assign ( resid 8 and name HN )( resid 8 and name HB# ) 3.0 1.2 0.5
assign ( resid 8 and name HA )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HB# )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 8 and name HN )( resid 9 and name HB# ) 5.0 3.2 0.5
assign ( resid 8 and name HA )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 8 and name HA )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 9 and name HB# )( resid 8 and name HN ) 5.0 3.2 0.5
assign ( resid 9 and name HN )( resid 8 and name HA ) 3.0 1.2 0.5
assign ( resid 9 and name HN )( resid 8 and name HB# ) 3.0 1.2 0.5
assign ( resid 9 and name HA )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HB# )( resid 9 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HD1# )( resid 9 and name HN ) 5.0 3.2 0.5
assign ( resid 9 and name HD2# )( resid 9 and name HN ) 5.0 3.2 0.5
assign ( resid 9 and name HN )( resid 9 and name HA ) 3.0 1.2 0.5
assign ( resid 9 and name HN )( resid 9 and name HB# ) 3.0 1.2 0.5
assign ( resid 9 and name HN )( resid 9 and name HD1# ) 5.0 3.2 0.5
assign ( resid 9 and name HN )( resid 9 and name HD2# ) 5.0 3.2 0.5
assign ( resid 9 and name HA )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 9 and name HB# )( resid 10 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HG )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 9 and name HA )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 9 and name HA )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 9 and name HD1# )( resid 68 and name HN ) 4.0 2.2 1.0
assign ( resid 10 and name HN )( resid 7 and name HA# ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 8 and name HA ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 9 and name HA ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 9 and name HB# ) 3.0 1.2 0.5
assign ( resid 10 and name HN )( resid 9 and name HG ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 10 and name HN ) 3.0 1.2 0.5
assign ( resid 10 and name HB# )( resid 10 and name HN ) 3.0 1.2 0.5
assign ( resid 10 and name HE2# )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HG# )( resid 10 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 10 and name HA ) 3.0 1.2 0.5
assign ( resid 10 and name HN )( resid 10 and name HB# ) 3.0 1.2 0.5
assign ( resid 10 and name HN )( resid 10 and name HE2# ) 4.0 2.2 0.5
assign ( resid 10 and name HN )( resid 10 and name HG# ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HB# )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HG# )( resid 11 and name HN ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 13 and name HB# ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 13 and name HN ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 8 and name HA ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 9 and name HA ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 10 and name HB# ) 4.0 2.2 0.5
assign ( resid 11 and name HN )( resid 10 and name HG# ) 4.0 2.2 0.5
assign ( resid 11 and name HA )( resid 11 and name HN ) 3.0 1.2 0.5
assign ( resid 11 and name HB# )( resid 11 and name HN ) 3.0 1.2 0.5
assign ( resid 11 and name HN )( resid 11 and name HA ) 3.0 1.2 0.5
assign ( resid 11 and name HN )( resid 11 and name HB# ) 3.0 1.2 0.5
assign ( resid 11 and name HA )( resid 12 and name HN ) 4.0 2.2 0.5
assign ( resid 11 and name HB# )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 11 and name HN )( resid 12 and name HB# ) 5.0 3.2 0.5
assign ( resid 12 and name HN )( resid 9 and name HA ) 3.0 1.2 0.5
assign ( resid 12 and name HB# )( resid 11 and name HN ) 5.0 3.2 0.5
assign ( resid 12 and name HN )( resid 11 and name HA ) 4.0 2.2 0.5
assign ( resid 12 and name HN )( resid 11 and name HB# ) 3.0 1.2 0.5
assign ( resid 12 and name HA )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 12 and name HB# )( resid 12 and name HN ) 3.0 1.2 0.5
assign ( resid 12 and name HN )( resid 12 and name HA ) 3.0 1.2 0.5
assign ( resid 12 and name HN )( resid 12 and name HB# ) 3.0 1.2 0.5
assign ( resid 12 and name HA )( resid 13 and name HN ) 4.0 2.2 0.5
assign ( resid 12 and name HB# )( resid 13 and name HN ) 3.0 1.2 0.5
assign ( resid 12 and name HA )( resid 15 and name HN ) 4.0 2.2 0.5
assign ( resid 13 and name HB# )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 13 and name HN )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 13 and name HN )( resid 12 and name HA ) 4.0 2.2 0.5
assign ( resid 13 and name HN )( resid 12 and name HB# ) 3.0 1.2 0.5
assign ( resid 13 and name HA )( resid 13 and name HN ) 4.0 2.2 1.0
assign ( resid 13 and name HB# )( resid 13 and name HN ) 4.0 2.2 1.0
assign ( resid 13 and name HN )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 13 and name HN )( resid 13 and name HB# ) 4.0 2.2 1.0
assign ( resid 13 and name HA )( resid 14 and name HN ) 4.0 2.2 1.0
assign ( resid 13 and name HB# )( resid 14 and name HN ) 4.0 2.2 1.0
assign ( resid 13 and name HA )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 13 and name HN )( resid 42 and name HE2 ) 4.0 2.2 1.0
assign ( resid 14 and name HN )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 14 and name HN )( resid 13 and name HB# ) 4.0 2.2 1.0
assign ( resid 14 and name HA )( resid 14 and name HN ) 3.0 1.2 0.5
assign ( resid 14 and name HB# )( resid 14 and name HN ) 3.0 1.2 0.5
assign ( resid 14 and name HD1# )( resid 14 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HD2# )( resid 14 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HG )( resid 14 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HN )( resid 14 and name HA ) 3.0 1.2 0.5
assign ( resid 14 and name HN )( resid 14 and name HB# ) 3.0 1.2 0.5
assign ( resid 14 and name HN )( resid 14 and name HD1# ) 4.0 2.2 1.0
assign ( resid 14 and name HN )( resid 14 and name HD2# ) 4.0 2.2 1.0
assign ( resid 14 and name HN )( resid 14 and name HG ) 4.0 2.2 1.0
assign ( resid 14 and name HB# )( resid 15 and name HN ) 4.0 2.2 0.5
assign ( resid 14 and name HA )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HA )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 14 and name HA )( resid 18 and name HN ) 4.0 2.2 1.0
assign ( resid 15 and name HN )( resid 12 and name HA ) 4.0 2.2 0.5
assign ( resid 15 and name HN )( resid 14 and name HB# ) 4.0 2.2 0.5
assign ( resid 15 and name HN )( resid 14 and name HD2# ) 4.0 2.2 0.5
assign ( resid 15 and name HA )( resid 15 and name HN ) 3.0 1.2 0.5
assign ( resid 15 and name HB# )( resid 15 and name HN ) 3.0 1.2 0.5
assign ( resid 15 and name HG# )( resid 15 and name HN ) 4.0 2.2 1.0
assign ( resid 15 and name HN )( resid 15 and name HA ) 3.0 1.2 0.5
assign ( resid 15 and name HN )( resid 15 and name HB# ) 3.0 1.2 0.5
assign ( resid 15 and name HN )( resid 15 and name HG# ) 4.0 2.2 1.0
assign ( resid 15 and name HA )( resid 16 and name HN ) 4.0 2.2 0.5
assign ( resid 15 and name HB# )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 15 and name HG# )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 14 and name HA ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 15 and name HA ) 4.0 2.2 0.5
assign ( resid 16 and name HN )( resid 15 and name HB# ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 15 and name HG# ) 4.0 2.2 1.0
assign ( resid 16 and name HA )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 16 and name HB# )( resid 16 and name HN ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 16 and name HA ) 4.0 2.2 1.0
assign ( resid 16 and name HN )( resid 16 and name HB# ) 4.0 2.2 1.0
assign ( resid 16 and name HA )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 16 and name HB# )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 14 and name HA ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 16 and name HA ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 16 and name HB# ) 4.0 2.2 1.0
assign ( resid 17 and name HA )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 17 and name HB# )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 17 and name HA ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 17 and name HB# ) 4.0 2.2 1.0
assign ( resid 17 and name HA )( resid 18 and name HN ) 4.0 2.2 1.0
assign ( resid 17 and name HN )( resid 18 and name HD2# ) 4.0 2.2 1.0
assign ( resid 18 and name HN )( resid 14 and name HA ) 4.0 2.2 1.0
assign ( resid 18 and name HD2# )( resid 17 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HN )( resid 17 and name HA ) 4.0 2.2 1.0
assign ( resid 18 and name HD1# )( resid 18 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HD2# )( resid 18 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HG )( resid 18 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HN )( resid 18 and name HD1# ) 4.0 2.2 1.0
assign ( resid 18 and name HN )( resid 18 and name HD2# ) 4.0 2.2 1.0
assign ( resid 18 and name HN )( resid 18 and name HG ) 4.0 2.2 1.0
assign ( resid 18 and name HA )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HB# )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HD1# )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HD2# )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 18 and name HG )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 18 and name HA ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 18 and name HB# ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 18 and name HD1# ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 18 and name HD2# ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 18 and name HG ) 4.0 2.2 1.0
assign ( resid 19 and name HA )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HB# )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HG# )( resid 19 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 19 and name HA ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 19 and name HB# ) 4.0 2.2 1.0
assign ( resid 19 and name HN )( resid 19 and name HG# ) 4.0 2.2 1.0
assign ( resid 19 and name HA )( resid 20 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HB# )( resid 20 and name HN ) 4.0 2.2 1.0
assign ( resid 19 and name HG# )( resid 20 and name HN ) 4.0 2.2 1.0
assign ( resid 20 and name HN )( resid 19 and name HA ) 4.0 2.2 1.0
assign ( resid 20 and name HN )( resid 19 and name HB# ) 4.0 2.2 1.0
assign ( resid 20 and name HN )( resid 19 and name HG# ) 4.0 2.2 1.0
assign ( resid 20 and name HD2# )( resid 20 and name HN ) 4.0 2.2 1.0
assign ( resid 20 and name HN )( resid 20 and name HD2# ) 4.0 2.2 1.0
assign ( resid 21 and name HA )( resid 22 and name HN ) 3.0 1.2 0.5
assign ( resid 22 and name HN )( resid 21 and name HA ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 22 and name HN ) 4.0 2.2 0.5
assign ( resid 22 and name HB )( resid 22 and name HN ) 3.0 1.2 0.5
assign ( resid 22 and name HG1# )( resid 22 and name HN ) 4.0 2.2 1.0
assign ( resid 22 and name HG2# )( resid 22 and name HN ) 4.0 2.2 0.5
assign ( resid 22 and name HN )( resid 22 and name HA ) 4.0 2.2 0.5
assign ( resid 22 and name HN )( resid 22 and name HB ) 3.0 1.2 0.5
assign ( resid 22 and name HN )( resid 22 and name HG1# ) 4.0 2.2 1.0
assign ( resid 22 and name HN )( resid 22 and name HG2# ) 4.0 2.2 0.5
assign ( resid 22 and name HA )( resid 23 and name HN ) 4.0 2.2 1.0
assign ( resid 22 and name HN )( resid 40 and name HA ) 5.0 3.2 0.5
assign ( resid 22 and name HN )( resid 40 and name HG2# ) 4.0 2.2 0.5
assign ( resid 22 and name HN )( resid 41 and name HB ) 3.0 1.2 0.5
assign ( resid 22 and name HN )( resid 41 and name HG2# ) 5.0 3.2 0.5
assign ( resid 22 and name HN )( resid 42 and name HA ) 4.0 2.2 0.5
assign ( resid 22 and name HN )( resid 42 and name HD1 ) 4.0 2.2 1.0
assign ( resid 22 and name HN )( resid 42 and name HE1 ) 4.0 2.2 1.0
assign ( resid 23 and name HN )( resid 22 and name HA ) 4.0 2.2 1.0
assign ( resid 23 and name HB# )( resid 23 and name HN ) 4.0 2.2 1.0
assign ( resid 23 and name HD1 )( resid 23 and name HN ) 4.0 2.2 1.0
assign ( resid 23 and name HD2 )( resid 23 and name HN ) 4.0 2.2 1.0
assign ( resid 23 and name HE1 )( resid 23 and name HN ) 4.0 2.2 1.0
assign ( resid 23 and name HN )( resid 23 and name HB# ) 4.0 2.2 1.0
assign ( resid 23 and name HN )( resid 23 and name HD1 ) 4.0 2.2 1.0
assign ( resid 23 and name HN )( resid 23 and name HD2 ) 4.0 2.2 1.0
assign ( resid 23 and name HN )( resid 23 and name HE1 ) 4.0 2.2 1.0
assign ( resid 23 and name HA )( resid 24 and name HN ) 3.0 1.2 0.5
assign ( resid 23 and name HB# )( resid 24 and name HN ) 4.0 2.2 0.5
assign ( resid 23 and name HD2 )( resid 24 and name HN ) 4.0 2.2 1.0
assign ( resid 23 and name HA )( resid 41 and name HN ) 3.0 1.2 0.5
assign ( resid 23 and name HE2 )( resid 64 and name HN ) 4.0 2.2 1.0
assign ( resid 24 and name HN )( resid 23 and name HA ) 3.0 1.2 0.5
assign ( resid 24 and name HN )( resid 23 and name HB# ) 4.0 2.2 0.5
assign ( resid 24 and name HN )( resid 23 and name HD2 ) 4.0 2.2 1.0
assign ( resid 24 and name HA )( resid 24 and name HN ) 4.0 2.2 0.5
assign ( resid 24 and name HB# )( resid 24 and name HN ) 3.0 1.2 0.5
assign ( resid 24 and name HN )( resid 24 and name HA ) 4.0 2.2 0.5
assign ( resid 24 and name HN )( resid 24 and name HB# ) 3.0 1.2 0.5
assign ( resid 24 and name HA )( resid 25 and name HN ) 3.0 1.2 0.5
assign ( resid 24 and name HB# )( resid 25 and name HN ) 4.0 2.2 0.5
assign ( resid 24 and name HN )( resid 38 and name HA ) 5.0 3.2 0.5
assign ( resid 24 and name HN )( resid 38 and name HB# ) 5.0 3.2 0.5
assign ( resid 24 and name HB# )( resid 39 and name HN ) 4.0 2.2 1.0
assign ( resid 24 and name HN )( resid 39 and name HB# ) 4.0 2.2 0.5
assign ( resid 24 and name HN )( resid 40 and name HA ) 4.0 2.2 0.5
assign ( resid 25 and name HN )( resid 24 and name HA ) 3.0 1.2 0.5
assign ( resid 25 and name HN )( resid 24 and name HB# ) 4.0 2.2 0.5
assign ( resid 25 and name HA )( resid 25 and name HN ) 3.0 1.2 0.5
assign ( resid 25 and name HB# )( resid 25 and name HN ) 3.0 1.2 0.5
assign ( resid 25 and name HD21 )( resid 25 and name HN ) 4.0 2.2 0.5
assign ( resid 25 and name HD22 )( resid 25 and name HN ) 4.0 2.2 0.5
assign ( resid 25 and name HN )( resid 25 and name HA ) 3.0 1.2 0.5
assign ( resid 25 and name HN )( resid 25 and name HB# ) 3.0 1.2 0.5
assign ( resid 25 and name HN )( resid 25 and name HD21 ) 4.0 2.2 0.5
assign ( resid 25 and name HN )( resid 25 and name HD22 ) 4.0 2.2 0.5
assign ( resid 25 and name HA )( resid 26 and name HN ) 3.0 1.2 0.5
assign ( resid 25 and name HB# )( resid 26 and name HN ) 4.0 2.2 0.5
assign ( resid 25 and name HA )( resid 39 and name HN ) 4.0 2.2 0.5
assign ( resid 26 and name HN )( resid 25 and name HA ) 3.0 1.2 0.5
assign ( resid 26 and name HN )( resid 25 and name HB# ) 4.0 2.2 0.5
assign ( resid 26 and name HB# )( resid 26 and name HN ) 3.0 1.2 0.5
assign ( resid 26 and name HG# )( resid 26 and name HN ) 3.0 1.2 0.5
assign ( resid 26 and name HN )( resid 26 and name HB# ) 3.0 1.2 0.5
assign ( resid 26 and name HN )( resid 26 and name HG# ) 3.0 1.2 0.5
assign ( resid 26 and name HA )( resid 27 and name HN ) 3.0 1.2 0.5
assign ( resid 26 and name HB# )( resid 27 and name HN ) 4.0 2.2 0.5
assign ( resid 26 and name HG# )( resid 27 and name HN ) 4.0 2.2 0.5
assign ( resid 26 and name HN )( resid 36 and name HA ) 4.0 2.2 0.5
assign ( resid 27 and name HN )( resid 26 and name HA ) 3.0 1.2 0.5
assign ( resid 27 and name HN )( resid 26 and name HB# ) 4.0 2.2 0.5
assign ( resid 27 and name HN )( resid 26 and name HG# ) 4.0 2.2 0.5
assign ( resid 27 and name HA )( resid 27 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HB# )( resid 27 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HN )( resid 27 and name HA ) 4.0 2.2 1.0
assign ( resid 27 and name HN )( resid 27 and name HB# ) 4.0 2.2 1.0
assign ( resid 27 and name HA )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HB# )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HD# )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HG# )( resid 28 and name HN ) 3.0 1.2 0.5
assign ( resid 27 and name HG# )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HN )( resid 28 and name HA ) 4.0 2.2 1.0
assign ( resid 27 and name HA )( resid 35 and name HN ) 4.0 2.2 1.0
assign ( resid 27 and name HG# )( resid 35 and name HN ) 5.0 3.2 0.5
assign ( resid 27 and name HA )( resid 37 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HA )( resid 27 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 27 and name HA ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 27 and name HB# ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 27 and name HD# ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 27 and name HG# ) 3.0 1.2 0.5
assign ( resid 28 and name HN )( resid 27 and name HG# ) 4.0 2.2 1.0
assign ( resid 28 and name HA )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HB# )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HG# )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 28 and name HA ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 28 and name HB# ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 28 and name HG# ) 4.0 2.2 1.0
assign ( resid 28 and name HA )( resid 29 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HB# )( resid 29 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HG# )( resid 29 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HA )( resid 35 and name HN ) 4.0 2.2 1.0
assign ( resid 28 and name HN )( resid 35 and name HA ) 4.0 2.2 1.0
assign ( resid 29 and name HN )( resid 28 and name HA ) 4.0 2.2 1.0
assign ( resid 29 and name HN )( resid 28 and name HB# ) 4.0 2.2 1.0
assign ( resid 29 and name HN )( resid 28 and name HG# ) 4.0 2.2 1.0
assign ( resid 29 and name HA# )( resid 29 and name HN ) 4.0 2.2 1.0
assign ( resid 29 and name HN )( resid 29 and name HA# ) 4.0 2.2 1.0
assign ( resid 31 and name HA )( resid 33 and name HN ) 4.0 2.2 1.0
assign ( resid 32 and name HA )( resid 33 and name HN ) 4.0 2.2 1.0
assign ( resid 32 and name HB# )( resid 33 and name HN ) 4.0 2.2 1.0
assign ( resid 33 and name HN )( resid 31 and name HA ) 4.0 2.2 1.0
assign ( resid 33 and name HN )( resid 32 and name HA ) 4.0 2.2 1.0
assign ( resid 33 and name HN )( resid 32 and name HB# ) 4.0 2.2 1.0
assign ( resid 33 and name HA )( resid 33 and name HN ) 4.0 2.2 1.0
assign ( resid 33 and name HB# )( resid 33 and name HN ) 4.0 2.2 1.0
assign ( resid 33 and name HN )( resid 33 and name HA ) 4.0 2.2 1.0
assign ( resid 33 and name HN )( resid 33 and name HB# ) 4.0 2.2 1.0
assign ( resid 34 and name HA )( resid 35 and name HN ) 4.0 2.2 1.0
assign ( resid 35 and name HN )( resid 27 and name HA ) 4.0 2.2 1.0
assign ( resid 35 and name HN )( resid 27 and name HG# ) 5.0 3.2 0.5
assign ( resid 35 and name HA )( resid 28 and name HN ) 4.0 2.2 1.0
assign ( resid 35 and name HN )( resid 28 and name HA ) 4.0 2.2 1.0
assign ( resid 35 and name HN )( resid 34 and name HA ) 4.0 2.2 1.0
assign ( resid 35 and name HA )( resid 35 and name HN ) 3.0 1.2 0.5
assign ( resid 35 and name HN )( resid 35 and name HA ) 3.0 1.2 0.5
assign ( resid 35 and name HA )( resid 36 and name HN ) 3.0 1.2 0.5
assign ( resid 36 and name HA )( resid 26 and name HN ) 4.0 2.2 0.5
assign ( resid 36 and name HN )( resid 35 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HA )( resid 36 and name HN ) 3.0 1.2 0.5
assign ( resid 36 and name HB# )( resid 36 and name HN ) 3.0 1.2 0.5
assign ( resid 36 and name HD1 )( resid 36 and name HN ) 3.0 1.2 0.5
assign ( resid 36 and name HE1 )( resid 36 and name HN ) 4.0 2.2 0.5
assign ( resid 36 and name HN )( resid 36 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HN )( resid 36 and name HB# ) 3.0 1.2 0.5
assign ( resid 36 and name HN )( resid 36 and name HD1 ) 3.0 1.2 0.5
assign ( resid 36 and name HN )( resid 36 and name HE1 ) 4.0 2.2 0.5
assign ( resid 36 and name HA )( resid 37 and name HN ) 3.0 1.2 0.5
assign ( resid 36 and name HB# )( resid 37 and name HN ) 4.0 2.2 1.0
assign ( resid 36 and name HD2 )( resid 37 and name HN ) 4.0 2.2 0.5
assign ( resid 36 and name HN )( resid 52 and name HA ) 4.0 2.2 1.0
assign ( resid 36 and name HD1 )( resid 56 and name HN ) 4.0 2.2 0.5
assign ( resid 36 and name HD2 )( resid 56 and name HN ) 4.0 2.2 1.0
assign ( resid 36 and name HE1 )( resid 56 and name HN ) 4.0 2.2 0.5
assign ( resid 36 and name HE2 )( resid 56 and name HN ) 4.0 2.2 1.0
assign ( resid 37 and name HN )( resid 27 and name HA ) 4.0 2.2 1.0
assign ( resid 37 and name HN )( resid 36 and name HA ) 3.0 1.2 0.5
assign ( resid 37 and name HN )( resid 36 and name HB# ) 4.0 2.2 1.0
assign ( resid 37 and name HN )( resid 36 and name HD2 ) 4.0 2.2 0.5
assign ( resid 37 and name HA )( resid 37 and name HN ) 3.0 1.2 0.5
assign ( resid 37 and name HB# )( resid 37 and name HN ) 3.0 1.2 0.5
assign ( resid 37 and name HD# )( resid 37 and name HN ) 5.0 1.2 0.5
assign ( resid 37 and name HG# )( resid 37 and name HN ) 3.0 1.2 0.5
assign ( resid 37 and name HN )( resid 37 and name HA ) 3.0 1.2 0.5
assign ( resid 37 and name HN )( resid 37 and name HB# ) 3.0 1.2 0.5
assign ( resid 37 and name HN )( resid 37 and name HD# ) 5.0 1.2 0.5
assign ( resid 37 and name HN )( resid 37 and name HG# ) 3.0 1.2 0.5
assign ( resid 38 and name HA )( resid 24 and name HA ) 5.0 3.2 0.5
assign ( resid 38 and name HB# )( resid 24 and name HN ) 5.0 3.2 0.5
assign ( resid 38 and name HN )( resid 59 and name HB# ) 4.0 2.2 0.5
assign ( resid 39 and name HN )( resid 24 and name HB# ) 4.0 2.2 1.0
assign ( resid 39 and name HN )( resid 25 and name HA ) 4.0 2.2 0.5
assign ( resid 39 and name HA )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 39 and name HB# )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HA )( resid 22 and name HN ) 5.0 3.2 0.5
assign ( resid 40 and name HG2# )( resid 22 and name HN ) 4.0 2.2 0.5
assign ( resid 40 and name HG2# )( resid 22 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HA )( resid 24 and name HN ) 4.0 2.2 0.5
assign ( resid 40 and name HN )( resid 39 and name HA ) 4.0 2.2 1.0
assign ( resid 40 and name HN )( resid 39 and name HB# ) 4.0 2.2 1.0
assign ( resid 40 and name HB )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HG1# )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HG2# )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HN )( resid 40 and name HB ) 4.0 2.2 1.0
assign ( resid 40 and name HN )( resid 40 and name HG1# ) 4.0 2.2 1.0
assign ( resid 40 and name HN )( resid 40 and name HG2# ) 4.0 2.2 1.0
assign ( resid 40 and name HA )( resid 41 and name HN ) 3.0 1.2 0.5
assign ( resid 40 and name HB )( resid 41 and name HN ) 4.0 2.2 0.5
assign ( resid 40 and name HG1# )( resid 41 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HG2# )( resid 41 and name HN ) 4.0 2.2 1.0
assign ( resid 40 and name HN )( resid 63 and name HB# ) 4.0 2.2 1.0
assign ( resid 41 and name HB )( resid 22 and name HN ) 3.0 1.2 0.5
assign ( resid 41 and name HG2# )( resid 22 and name HN ) 5.0 3.2 0.5
assign ( resid 41 and name HN )( resid 23 and name HA ) 3.0 1.2 0.5
assign ( resid 41 and name HN )( resid 40 and name HA ) 3.0 1.2 0.5
assign ( resid 41 and name HN )( resid 40 and name HB ) 4.0 2.2 0.5
assign ( resid 41 and name HN )( resid 40 and name HG1# ) 4.0 2.2 1.0
assign ( resid 41 and name HN )( resid 40 and name HG2# ) 4.0 2.2 1.0
assign ( resid 41 and name HA )( resid 41 and name HN ) 3.0 1.2 0.5
assign ( resid 41 and name HG2# )( resid 41 and name HN ) 4.0 2.2 0.5
assign ( resid 41 and name HN )( resid 41 and name HA ) 3.0 1.2 0.5
assign ( resid 41 and name HN )( resid 41 and name HG2# ) 4.0 2.2 0.5
assign ( resid 41 and name HA )( resid 42 and name HN ) 3.0 1.2 0.5
assign ( resid 41 and name HB )( resid 42 and name HN ) 4.0 2.2 1.0
assign ( resid 41 and name HG2# )( resid 42 and name HN ) 4.0 2.2 1.0
assign ( resid 41 and name HG2# )( resid 44 and name HN ) 4.0 2.2 1.0
assign ( resid 41 and name HG2# )( resid 45 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HE1 )( resid 13 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HE2 )( resid 13 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HA )( resid 22 and name HN ) 4.0 2.2 0.5
assign ( resid 42 and name HD1 )( resid 22 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HE1 )( resid 22 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HN )( resid 41 and name HA ) 3.0 1.2 0.5
assign ( resid 42 and name HN )( resid 41 and name HB ) 4.0 2.2 1.0
assign ( resid 42 and name HN )( resid 41 and name HG2# ) 4.0 2.2 1.0
assign ( resid 42 and name HA )( resid 42 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HB# )( resid 42 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HN )( resid 42 and name HA ) 4.0 2.2 1.0
assign ( resid 42 and name HN )( resid 42 and name HB# ) 4.0 2.2 1.0
assign ( resid 42 and name HB# )( resid 43 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HD1 )( resid 43 and name HN ) 4.0 2.2 1.0
assign ( resid 42 and name HD2 )( resid 43 and name HN ) 4.0 2.2 1.0
assign ( resid 43 and name HN )( resid 42 and name HB# ) 4.0 2.2 1.0
assign ( resid 43 and name HN )( resid 42 and name HD1 ) 4.0 2.2 1.0
assign ( resid 43 and name HN )( resid 42 and name HD2 ) 4.0 2.2 1.0
assign ( resid 43 and name HA )( resid 43 and name HN ) 4.0 2.2 1.0
assign ( resid 43 and name HB# )( resid 43 and name HN ) 4.0 2.2 1.0
assign ( resid 43 and name HN )( resid 43 and name HA ) 4.0 2.2 1.0
assign ( resid 43 and name HN )( resid 43 and name HB# ) 4.0 2.2 1.0
assign ( resid 43 and name HA )( resid 44 and name HN ) 4.0 2.2 1.0
assign ( resid 43 and name HA )( resid 45 and name HN ) 4.0 2.2 1.0
assign ( resid 44 and name HN )( resid 41 and name HG2# ) 4.0 2.2 1.0
assign ( resid 44 and name HN )( resid 43 and name HA ) 4.0 2.2 1.0
assign ( resid 44 and name HA# )( resid 44 and name HN ) 4.0 2.2 1.0
assign ( resid 44 and name HN )( resid 44 and name HA# ) 4.0 2.2 1.0
assign ( resid 44 and name HA# )( resid 45 and name HN ) 4.0 2.2 1.0
assign ( resid 45 and name HN )( resid 41 and name HG2# ) 4.0 2.2 1.0
assign ( resid 45 and name HN )( resid 43 and name HA ) 4.0 2.2 1.0
assign ( resid 45 and name HN )( resid 44 and name HA# ) 4.0 2.2 1.0
assign ( resid 46 and name HA )( resid 46 and name HN ) 4.0 2.2 1.0
assign ( resid 46 and name HN )( resid 46 and name HA ) 4.0 2.2 1.0
assign ( resid 48 and name HN )( resid 66 and name HB ) 4.0 2.2 1.0
assign ( resid 48 and name HN )( resid 66 and name HD1# ) 4.0 2.2 0.5
assign ( resid 51 and name HB# )( resid 51 and name HN ) 4.0 2.2 1.0
assign ( resid 51 and name HG# )( resid 51 and name HN ) 4.0 2.2 1.0
assign ( resid 51 and name HN )( resid 51 and name HB# ) 4.0 2.2 1.0
assign ( resid 51 and name HN )( resid 51 and name HG# ) 4.0 2.2 1.0
assign ( resid 52 and name HA )( resid 36 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HD1 )( resid 52 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HD2 )( resid 52 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HE1 )( resid 52 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HE2 )( resid 52 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HN )( resid 52 and name HD1 ) 4.0 2.2 1.0
assign ( resid 52 and name HN )( resid 52 and name HD2 ) 4.0 2.2 1.0
assign ( resid 52 and name HN )( resid 52 and name HE1 ) 4.0 2.2 1.0
assign ( resid 52 and name HN )( resid 52 and name HE2 ) 4.0 2.2 1.0
assign ( resid 52 and name HD1 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 52 and name HD2 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 52 and name HD1 ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 52 and name HD2 ) 4.0 2.2 1.0
assign ( resid 53 and name HD1 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HD2 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HE1 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HE2 )( resid 53 and name HN ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 53 and name HD1 ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 53 and name HD2 ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 53 and name HE1 ) 4.0 2.2 1.0
assign ( resid 53 and name HN )( resid 53 and name HE2 ) 4.0 2.2 1.0
assign ( resid 54 and name HG# )( resid 55 and name HN ) 4.0 2.2 1.0
assign ( resid 55 and name HN )( resid 54 and name HG# ) 4.0 2.2 1.0
assign ( resid 55 and name HG2# )( resid 55 and name HN ) 4.0 2.2 1.0
assign ( resid 55 and name HN )( resid 55 and name HG2# ) 4.0 2.2 1.0
assign ( resid 55 and name HG2# )( resid 57 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 36 and name HD1 ) 4.0 2.2 0.5
assign ( resid 56 and name HN )( resid 36 and name HD2 ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 36 and name HE1 ) 4.0 2.2 0.5
assign ( resid 56 and name HN )( resid 36 and name HE2 ) 4.0 2.2 1.0
assign ( resid 56 and name HB# )( resid 56 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HD1# )( resid 56 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HD2# )( resid 56 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 56 and name HB# ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 56 and name HD1# ) 4.0 2.2 1.0
assign ( resid 56 and name HN )( resid 56 and name HD2# ) 4.0 2.2 1.0
assign ( resid 56 and name HD1# )( resid 57 and name HN ) 4.0 2.2 1.0
assign ( resid 56 and name HD2# )( resid 57 and name HN ) 4.0 2.2 1.0
assign ( resid 57 and name HN )( resid 55 and name HG2# ) 4.0 2.2 1.0
assign ( resid 57 and name HN )( resid 56 and name HD1# ) 4.0 2.2 1.0
assign ( resid 57 and name HN )( resid 56 and name HD2# ) 4.0 2.2 1.0
assign ( resid 57 and name HA )( resid 60 and name HN ) 4.0 2.2 1.0
assign ( resid 58 and name HA )( resid 61 and name HN ) 4.0 2.2 1.0
assign ( resid 59 and name HB# )( resid 38 and name HN ) 4.0 2.2 0.5
assign ( resid 59 and name HA )( resid 60 and name HN ) 4.0 2.2 1.0
assign ( resid 59 and name HB# )( resid 60 and name HN ) 4.0 2.2 1.0
assign ( resid 59 and name HA )( resid 62 and name HN ) 4.0 2.2 1.0
assign ( resid 60 and name HN )( resid 57 and name HA ) 4.0 2.2 1.0
assign ( resid 60 and name HN )( resid 59 and name HA ) 4.0 2.2 1.0
assign ( resid 60 and name HN )( resid 59 and name HB# ) 4.0 2.2 1.0
assign ( resid 60 and name HA )( resid 60 and name HN ) 4.0 2.2 1.0
assign ( resid 60 and name HB# )( resid 60 and name HN ) 4.0 2.2 1.0
assign ( resid 60 and name HN )( resid 60 and name HA ) 4.0 2.2 1.0
assign ( resid 60 and name HN )( resid 60 and name HB# ) 4.0 2.2 1.0
assign ( resid 60 and name HB# )( resid 61 and name HN ) 4.0 2.2 1.0
assign ( resid 60 and name HA )( resid 63 and name HN ) 4.0 2.2 1.0
assign ( resid 61 and name HN )( resid 58 and name HA ) 4.0 2.2 1.0
assign ( resid 61 and name HN )( resid 60 and name HB# ) 4.0 2.2 1.0
assign ( resid 61 and name HB# )( resid 61 and name HN ) 4.0 2.2 1.0
assign ( resid 61 and name HN )( resid 61 and name HB# ) 4.0 2.2 1.0
assign ( resid 61 and name HB# )( resid 62 and name HN ) 4.0 2.2 1.0
assign ( resid 61 and name HA )( resid 64 and name HN ) 4.0 2.2 1.0
assign ( resid 62 and name HN )( resid 59 and name HA ) 4.0 2.2 1.0
assign ( resid 62 and name HN )( resid 61 and name HB# ) 4.0 2.2 1.0
assign ( resid 62 and name HA )( resid 62 and name HN ) 4.0 2.2 1.0
assign ( resid 62 and name HB# )( resid 62 and name HN ) 4.0 2.2 1.0
assign ( resid 62 and name HN )( resid 62 and name HA ) 4.0 2.2 1.0
assign ( resid 62 and name HN )( resid 62 and name HB# ) 4.0 2.2 1.0
assign ( resid 62 and name HA )( resid 63 and name HN ) 4.0 2.2 1.0
assign ( resid 62 and name HB# )( resid 63 and name HN ) 4.0 2.2 1.0
assign ( resid 62 and name HA )( resid 65 and name HN ) 4.0 2.2 1.0
assign ( resid 63 and name HB# )( resid 40 and name HN ) 4.0 2.2 1.0
assign ( resid 63 and name HN )( resid 60 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HN )( resid 62 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HN )( resid 62 and name HB# ) 4.0 2.2 1.0
assign ( resid 63 and name HA )( resid 63 and name HN ) 4.0 2.2 1.0
assign ( resid 63 and name HB# )( resid 63 and name HN ) 4.0 2.2 1.0
assign ( resid 63 and name HN )( resid 63 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HN )( resid 63 and name HB# ) 4.0 2.2 1.0
assign ( resid 63 and name HA )( resid 66 and name HN ) 4.0 2.2 1.0
assign ( resid 64 and name HN )( resid 23 and name HE2 ) 4.0 2.2 1.0
assign ( resid 64 and name HN )( resid 61 and name HA ) 4.0 2.2 1.0
assign ( resid 64 and name HA )( resid 67 and name HN ) 4.0 2.2 1.0
assign ( resid 65 and name HN )( resid 5 and name HD2 ) 3.0 1.2 0.5
assign ( resid 65 and name HN )( resid 62 and name HA ) 4.0 2.2 1.0
assign ( resid 65 and name HA )( resid 66 and name HN ) 4.0 2.2 1.0
assign ( resid 65 and name HA )( resid 68 and name HN ) 4.0 2.2 1.0
assign ( resid 66 and name HB )( resid 48 and name HN ) 4.0 2.2 1.0
assign ( resid 66 and name HD1# )( resid 48 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HN )( resid 63 and name HA ) 4.0 2.2 1.0
assign ( resid 66 and name HN )( resid 65 and name HA ) 4.0 2.2 1.0
assign ( resid 66 and name HA )( resid 66 and name HN ) 3.0 1.2 0.5
assign ( resid 66 and name HB )( resid 66 and name HN ) 3.0 1.2 0.5
assign ( resid 66 and name HD1# )( resid 66 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HG1# )( resid 66 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HG2# )( resid 66 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HN )( resid 66 and name HA ) 3.0 1.2 0.5
assign ( resid 66 and name HN )( resid 66 and name HB ) 3.0 1.2 0.5
assign ( resid 66 and name HN )( resid 66 and name HD1# ) 4.0 2.2 0.5
assign ( resid 66 and name HN )( resid 66 and name HG1# ) 4.0 2.2 0.5
assign ( resid 66 and name HN )( resid 66 and name HG2# ) 4.0 2.2 0.5
assign ( resid 66 and name HB )( resid 67 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HG2# )( resid 67 and name HN ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 69 and name HN ) 4.0 2.2 0.5
assign ( resid 67 and name HN )( resid 64 and name HA ) 4.0 2.2 1.0
assign ( resid 67 and name HN )( resid 66 and name HB ) 4.0 2.2 0.5
assign ( resid 67 and name HN )( resid 66 and name HG2# ) 4.0 2.2 0.5
assign ( resid 67 and name HA )( resid 67 and name HN ) 4.0 2.2 1.0
assign ( resid 67 and name HB# )( resid 67 and name HN ) 4.0 2.2 1.0
assign ( resid 67 and name HN )( resid 67 and name HA ) 4.0 2.2 1.0
assign ( resid 67 and name HN )( resid 67 and name HB# ) 4.0 2.2 1.0
assign ( resid 67 and name HA )( resid 68 and name HN ) 4.0 2.2 1.0
assign ( resid 67 and name HB# )( resid 68 and name HN ) 4.0 2.2 1.0
assign ( resid 67 and name HA )( resid 70 and name HN ) 4.0 2.2 1.0
assign ( resid 68 and name HN )( resid 9 and name HD1# ) 4.0 2.2 1.0
assign ( resid 68 and name HN )( resid 65 and name HA ) 4.0 2.2 1.0
assign ( resid 68 and name HN )( resid 67 and name HA ) 4.0 2.2 1.0
assign ( resid 68 and name HN )( resid 67 and name HB# ) 4.0 2.2 1.0
assign ( resid 68 and name HB )( resid 68 and name HN ) 4.0 2.2 1.0
assign ( resid 68 and name HN )( resid 68 and name HB ) 4.0 2.2 1.0
assign ( resid 68 and name HA )( resid 69 and name HN ) 4.0 2.2 1.0
assign ( resid 68 and name HB )( resid 69 and name HN ) 4.0 2.2 1.0
assign ( resid 68 and name HA )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 69 and name HN )( resid 66 and name HA ) 4.0 2.2 0.5
assign ( resid 69 and name HN )( resid 68 and name HA ) 4.0 2.2 1.0
assign ( resid 69 and name HN )( resid 68 and name HB ) 4.0 2.2 1.0
assign ( resid 69 and name HA )( resid 69 and name HN ) 4.0 2.2 1.0
assign ( resid 69 and name HB# )( resid 69 and name HN ) 4.0 2.2 1.0
assign ( resid 69 and name HN )( resid 69 and name HA ) 4.0 2.2 1.0
assign ( resid 69 and name HN )( resid 69 and name HB# ) 4.0 2.2 1.0
assign ( resid 69 and name HA )( resid 70 and name HN ) 4.0 2.2 1.0
assign ( resid 69 and name HB# )( resid 70 and name HN ) 4.0 2.2 1.0
assign ( resid 69 and name HA )( resid 72 and name HN ) 4.0 2.2 0.5
assign ( resid 70 and name HN )( resid 67 and name HA ) 4.0 2.2 1.0
assign ( resid 70 and name HN )( resid 69 and name HA ) 4.0 2.2 1.0
assign ( resid 70 and name HN )( resid 69 and name HB# ) 4.0 2.2 1.0
assign ( resid 70 and name HB# )( resid 70 and name HN ) 3.0 1.2 0.5
assign ( resid 70 and name HN )( resid 70 and name HB# ) 4.0 2.2 1.0
assign ( resid 70 and name HA )( resid 71 and name HN ) 4.0 2.2 0.5
assign ( resid 70 and name HB# )( resid 71 and name HN ) 4.0 2.2 1.0
assign ( resid 71 and name HN )( resid 68 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HN )( resid 70 and name HA ) 4.0 2.2 0.5
assign ( resid 71 and name HN )( resid 70 and name HB# ) 3.0 1.2 0.5
assign ( resid 71 and name HA )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 71 and name HB# )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 71 and name HD1# )( resid 71 and name HN ) 4.0 2.2 0.5
assign ( resid 71 and name HD2# )( resid 71 and name HN ) 4.0 2.2 0.5
assign ( resid 71 and name HG )( resid 71 and name HN ) 3.0 1.2 0.5
assign ( resid 71 and name HG )( resid 71 and name HN ) 4.0 2.2 0.5
assign ( resid 71 and name HN )( resid 71 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HN )( resid 71 and name HB# ) 3.0 1.2 0.5
assign ( resid 71 and name HN )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 71 and name HN )( resid 71 and name HD2# ) 4.0 2.2 0.5
assign ( resid 71 and name HN )( resid 71 and name HG ) 3.0 1.2 0.5
assign ( resid 71 and name HA )( resid 72 and name HN ) 4.0 2.2 1.0
assign ( resid 71 and name HB# )( resid 72 and name HN ) 4.0 2.2 0.5
assign ( resid 72 and name HN )( resid 69 and name HA ) 4.0 2.2 0.5
assign ( resid 72 and name HN )( resid 71 and name HA ) 4.0 2.2 1.0
assign ( resid 72 and name HN )( resid 71 and name HB# ) 4.0 2.2 0.5
assign ( resid 72 and name HN )( resid 71 and name HD2# ) 4.0 2.2 0.5
assign ( resid 72 and name HN )( resid 71 and name HG ) 4.0 2.2 0.5
assign ( resid 72 and name HA )( resid 72 and name HN ) 3.0 1.2 0.5
assign ( resid 72 and name HN )( resid 72 and name HA ) 3.0 1.2 0.5
assign ( resid 72 and name HN )( resid 72 and name HG2# ) 4.0 2.2 0.5
assign ( resid 3 and name HA )( resid 3 and name HB# ) 3.0 2.2 1.0
assign ( resid 3 and name HB# )( resid 3 and name HA ) 3.0 2.2 1.0
assign ( resid 3 and name HA )( resid 4 and name HG2# ) 4.0 2.2 0.5
assign ( resid 4 and name HG2# )( resid 3 and name HA ) 4.0 2.2 0.5
assign ( resid 4 and name HA )( resid 4 and name HB ) 3.0 1.2 0.5
assign ( resid 4 and name HA )( resid 4 and name HG1# ) 4.0 2.2 0.5
assign ( resid 4 and name HA )( resid 4 and name HG2# ) 3.0 1.2 0.5
assign ( resid 4 and name HB )( resid 4 and name HA ) 3.0 1.2 0.5
assign ( resid 4 and name HB )( resid 4 and name HG1# ) 3.0 1.2 0.5
assign ( resid 4 and name HB )( resid 4 and name HG2# ) 3.0 1.2 0.5
assign ( resid 4 and name HG1# )( resid 4 and name HA ) 4.0 2.2 0.5
assign ( resid 4 and name HG1# )( resid 4 and name HB ) 3.0 1.2 0.5
assign ( resid 4 and name HG1# )( resid 4 and name HG2# ) 3.0 1.2 0.5
assign ( resid 4 and name HG2# )( resid 4 and name HA ) 3.0 1.2 0.5
assign ( resid 4 and name HG2# )( resid 4 and name HB ) 3.0 1.2 0.5
assign ( resid 4 and name HG2# )( resid 4 and name HG1# ) 3.0 1.2 0.5
assign ( resid 4 and name HG2# )( resid 5 and name HD1 ) 3.0 1.2 1.0
assign ( resid 5 and name HD2 )( resid 4 and name HG2# ) 3.0 1.2 1.0
assign ( resid 5 and name HA )( resid 8 and name HB# ) 4.0 2.2 0.5
assign ( resid 5 and name HD1 )( resid 61 and name HA ) 4.0 2.2 0.5
assign ( resid 5 and name HB# )( resid 65 and name HA ) 4.0 2.2 0.5
assign ( resid 5 and name HD2 )( resid 65 and name HA ) 3.0 1.2 0.5
assign ( resid 5 and name HD2 )( resid 65 and name HB# ) 4.0 2.2 0.5
assign ( resid 5 and name HE2 )( resid 65 and name HA ) 3.0 1.2 0.5
assign ( resid 5 and name HE2 )( resid 65 and name HB# ) 4.0 2.2 0.5
assign ( resid 6 and name HA )( resid 23 and name HE1 ) 5.0 3.2 0.5 
assign ( resid 6 and name HA )( resid 23 and name HE2 ) 5.0 3.2 0.5 
assign ( resid 6 and name HA )( resid 64 and name HB# ) 3.0 1.2 0.5
assign ( resid 7 and name HA# )( resid 8 and name HA ) 4.0 2.2 0.5
assign ( resid 7 and name HA# )( resid 10 and name HB# ) 4.0 2.2 0.5
assign ( resid 8 and name HB# )( resid 5 and name HA ) 4.0 2.2 0.5
assign ( resid 8 and name HA )( resid 7 and name HA# ) 4.0 2.2 0.5
assign ( resid 8 and name HA )( resid 8 and name HB# ) 3.0 1.2 0.5
assign ( resid 8 and name HB# )( resid 8 and name HA ) 3.0 1.2 0.5
assign ( resid 8 and name HA )( resid 9 and name HA ) 5.0 3.2 0.5
assign ( resid 8 and name HB# )( resid 9 and name HA ) 5.0 3.2 0.5
assign ( resid 8 and name HA )( resid 11 and name HB# ) 4.0 2.2 0.5
assign ( resid 8 and name HB# )( resid 68 and name HG1# ) 5.0 3.2 0.5
assign ( resid 8 and name HB# )( resid 68 and name HG2# ) 5.0 3.2 0.5
assign ( resid 9 and name HA )( resid 8 and name HA ) 5.0 3.2 0.5
assign ( resid 9 and name HA )( resid 8 and name HB# ) 5.0 3.2 0.5
assign ( resid 9 and name HA )( resid 9 and name HB# ) 3.0 1.2 0.5
assign ( resid 9 and name HA )( resid 9 and name HD1# ) 3.0 1.2 0.5
assign ( resid 9 and name HA )( resid 9 and name HD2# ) 4.0 2.2 0.5
assign ( resid 9 and name HB# )( resid 9 and name HA ) 3.0 1.2 0.5
assign ( resid 9 and name HB# )( resid 9 and name HD1# ) 3.0 1.2 0.5
assign ( resid 9 and name HB# )( resid 9 and name HD2# ) 3.0 1.2 0.5
assign ( resid 9 and name HD1# )( resid 9 and name HA ) 3.0 1.2 0.5
assign ( resid 9 and name HD1# )( resid 9 and name HB# ) 3.0 1.2 0.5
assign ( resid 9 and name HD1# )( resid 9 and name HG ) 3.0 1.2 0.5
assign ( resid 9 and name HD2# )( resid 9 and name HA ) 4.0 2.2 0.5
assign ( resid 9 and name HD2# )( resid 9 and name HB# ) 3.0 1.2 0.5
assign ( resid 9 and name HD2# )( resid 9 and name HG ) 3.0 1.2 0.5
assign ( resid 9 and name HG )( resid 9 and name HD1# ) 3.0 1.2 0.5
assign ( resid 9 and name HG )( resid 9 and name HD2# ) 3.0 1.2 0.5
assign ( resid 9 and name HA )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 9 and name HG )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 9 and name HA )( resid 12 and name HB# ) 3.0 1.2 1.0
assign ( resid 9 and name HD2# )( resid 40 and name HB ) 5.0 3.2 0.5
assign ( resid 9 and name HD2# )( resid 40 and name HG1# ) 4.0 2.2 1.0
assign ( resid 9 and name HD2# )( resid 40 and name HG2# ) 3.0 1.2 1.0
assign ( resid 9 and name HB# )( resid 64 and name HA ) 4.0 2.2 0.5
assign ( resid 9 and name HB# )( resid 64 and name HB# ) 4.0 2.2 1.0
assign ( resid 9 and name HD1# )( resid 64 and name HA ) 4.0 2.2 1.0
assign ( resid 9 and name HD2# )( resid 64 and name HA ) 3.0 1.2 0.5
assign ( resid 9 and name HD2# )( resid 64 and name HB# ) 3.0 1.2 1.0
assign ( resid 9 and name HD1# )( resid 67 and name HB# ) 3.0 1.2 1.0
assign ( resid 9 and name HD2# )( resid 67 and name HB# ) 3.0 1.2 1.0
assign ( resid 9 and name HD1# )( resid 68 and name HA ) 4.0 2.2 0.5
assign ( resid 9 and name HD1# )( resid 68 and name HB ) 4.0 2.2 0.5
assign ( resid 9 and name HD1# )( resid 71 and name HD1# ) 3.0 1.2 1.0
assign ( resid 10 and name HB# )( resid 7 and name HA# ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 9 and name HA ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 9 and name HG ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 10 and name HB# ) 3.0 1.2 0.5
assign ( resid 10 and name HA )( resid 10 and name HG# ) 3.0 1.2 0.5
assign ( resid 10 and name HB# )( resid 10 and name HA ) 3.0 1.2 0.5
assign ( resid 10 and name HG# )( resid 10 and name HA ) 3.0 1.2 0.5
assign ( resid 10 and name HA )( resid 11 and name HA ) 5.0 3.2 0.5
assign ( resid 10 and name HG# )( resid 11 and name HA ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 13 and name HB# ) 4.0 2.2 1.0
assign ( resid 10 and name HA )( resid 21 and name HD# ) 4.0 2.2 0.5
assign ( resid 10 and name HA )( resid 21 and name HG# ) 4.0 2.2 0.5
assign ( resid 11 and name HB# )( resid 8 and name HA ) 4.0 2.2 0.5
assign ( resid 11 and name HA )( resid 10 and name HA ) 5.0 3.2 0.5
assign ( resid 11 and name HA )( resid 10 and name HG# ) 4.0 3.2 0.5
assign ( resid 11 and name HA )( resid 12 and name HA ) 4.0 2.2 1.0
assign ( resid 11 and name HB# )( resid 12 and name HA ) 4.0 2.2 1.0
assign ( resid 11 and name HA )( resid 14 and name HB# ) 4.0 2.2 0.5
assign ( resid 11 and name HA )( resid 14 and name HD2# ) 4.0 2.2 0.5
assign ( resid 12 and name HB# )( resid 9 and name HA ) 3.0 1.2 1.0
assign ( resid 12 and name HA )( resid 11 and name HA ) 4.0 2.2 1.0
assign ( resid 12 and name HA )( resid 11 and name HB# ) 4.0 2.2 1.0
assign ( resid 12 and name HA )( resid 12 and name HB# ) 3.0 1.2 0.5
assign ( resid 12 and name HA )( resid 12 and name HD1 ) 3.0 1.2 0.5
assign ( resid 12 and name HB# )( resid 12 and name HA ) 3.0 1.2 0.5
assign ( resid 12 and name HD2 )( resid 13 and name HA ) 3.0 1.2 0.5
assign ( resid 12 and name HD2 )( resid 13 and name HB# ) 4.0 2.2 0.5
assign ( resid 12 and name HA )( resid 15 and name HB# ) 3.0 1.2 0.5
assign ( resid 12 and name HD2 )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 12 and name HE2 )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 12 and name HE2 )( resid 71 and name HD2# ) 3.5 1.7 0.5
assign ( resid 13 and name HB# )( resid 10 and name HA ) 4.0 2.2 1.0
assign ( resid 13 and name HA )( resid 12 and name HD2 ) 3.0 1.2 0.5
assign ( resid 13 and name HB# )( resid 12 and name HD2 ) 4.0 2.2 0.5
assign ( resid 13 and name HA )( resid 13 and name HB# ) 4.0 2.2 1.0
assign ( resid 13 and name HB# )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 13 and name HA )( resid 14 and name HA ) 4.0 2.2 1.0
assign ( resid 13 and name HA )( resid 18 and name HB# ) 4.0 2.2 0.5
assign ( resid 13 and name HA )( resid 18 and name HD1# ) 4.0 2.2 0.5
assign ( resid 13 and name HA )( resid 18 and name HG ) 4.0 2.2 0.5
assign ( resid 13 and name HA )( resid 42 and name HE1 ) 4.0 2.2 1.0
assign ( resid 13 and name HB# )( resid 42 and name HE1 ) 4.0 2.2 1.0
assign ( resid 14 and name HB# )( resid 11 and name HA ) 4.0 2.2 0.5
assign ( resid 14 and name HD2# )( resid 11 and name HA ) 4.0 2.2 0.5
assign ( resid 14 and name HA )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 14 and name HA )( resid 14 and name HB# ) 3.0 1.2 0.5
assign ( resid 14 and name HA )( resid 14 and name HD1# ) 4.0 2.2 0.5
assign ( resid 14 and name HA )( resid 14 and name HD2# ) 4.0 2.2 0.5
assign ( resid 14 and name HA )( resid 14 and name HG ) 3.0 1.2 0.5
assign ( resid 14 and name HB# )( resid 14 and name HA ) 3.0 1.2 0.5
assign ( resid 14 and name HB# )( resid 14 and name HD1# ) 3.0 1.2 0.5
assign ( resid 14 and name HB# )( resid 14 and name HD2# ) 3.0 1.2 0.5
assign ( resid 14 and name HD1# )( resid 14 and name HA ) 4.0 2.2 0.5
assign ( resid 14 and name HD1# )( resid 14 and name HB# ) 3.0 1.2 0.5
assign ( resid 14 and name HD1# )( resid 14 and name HD2# ) 3.0 1.2 0.5
assign ( resid 14 and name HD1# )( resid 14 and name HG ) 3.0 1.2 0.5
assign ( resid 14 and name HD2# )( resid 14 and name HA ) 4.0 2.2 0.5
assign ( resid 14 and name HD2# )( resid 14 and name HB# ) 3.0 1.2 0.5
assign ( resid 14 and name HD2# )( resid 14 and name HD1# ) 3.0 1.2 0.5
assign ( resid 14 and name HD2# )( resid 14 and name HG ) 4.0 2.2 1.0
assign ( resid 14 and name HG )( resid 14 and name HA ) 3.0 1.2 0.5
assign ( resid 14 and name HG )( resid 14 and name HD1# ) 3.0 1.2 0.5
assign ( resid 14 and name HG )( resid 14 and name HD2# ) 3.0 1.2 0.5
assign ( resid 14 and name HD2# )( resid 15 and name HA ) 4.0 2.2 0.5
assign ( resid 15 and name HB# )( resid 12 and name HA ) 3.0 1.2 0.5
assign ( resid 15 and name HA )( resid 14 and name HD2# ) 4.0 2.2 0.5
assign ( resid 15 and name HG# )( resid 16 and name HA ) 4.0 2.2 0.5
assign ( resid 16 and name HA )( resid 15 and name HG# ) 4.0 2.2 0.5
assign ( resid 16 and name HB# )( resid 18 and name HD1# ) 4.0 2.2 0.5
assign ( resid 18 and name HB# )( resid 13 and name HA ) 4.0 2.2 0.5
assign ( resid 18 and name HD1# )( resid 13 and name HA ) 4.0 2.2 0.5
assign ( resid 18 and name HG )( resid 13 and name HA ) 4.0 2.2 0.5
assign ( resid 18 and name HD1# )( resid 16 and name HB# ) 4.0 2.2 0.5
assign ( resid 18 and name HA )( resid 18 and name HD1# ) 4.0 2.2 0.5
assign ( resid 18 and name HA )( resid 18 and name HD2# ) 3.0 1.2 0.5
assign ( resid 18 and name HB# )( resid 18 and name HD1# ) 3.0 1.2 0.5
assign ( resid 18 and name HB# )( resid 18 and name HD2# ) 3.0 1.2 0.5
assign ( resid 18 and name HD1# )( resid 18 and name HA ) 4.0 2.2 0.5
assign ( resid 18 and name HD1# )( resid 18 and name HB# ) 3.0 1.2 0.5
assign ( resid 18 and name HD2# )( resid 18 and name HA ) 3.0 1.2 0.5
assign ( resid 18 and name HD2# )( resid 18 and name HB# ) 3.0 1.2 0.5
assign ( resid 18 and name HA )( resid 19 and name HA ) 4.0 2.2 0.5
assign ( resid 18 and name HD2# )( resid 43 and name HB# ) 4.0 2.2 0.5
assign ( resid 19 and name HA )( resid 18 and name HA ) 4.0 2.2 0.5
assign ( resid 19 and name HA )( resid 19 and name HB# ) 3.0 1.2 0.5
assign ( resid 19 and name HA )( resid 19 and name HG# ) 3.0 1.2 0.5
assign ( resid 19 and name HB# )( resid 19 and name HA ) 3.0 1.2 0.5
assign ( resid 19 and name HG# )( resid 19 and name HA ) 3.0 1.2 0.5
assign ( resid 21 and name HD# )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 21 and name HG# )( resid 10 and name HA ) 4.0 2.2 0.5
assign ( resid 21 and name HA )( resid 22 and name HA ) 4.0 2.2 0.5
assign ( resid 21 and name HA )( resid 42 and name HA ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 21 and name HA ) 4.0 2.2 0.5
assign ( resid 22 and name HA )( resid 22 and name HB ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 22 and name HG1# ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 22 and name HG2# ) 3.0 1.2 0.5
assign ( resid 22 and name HB )( resid 22 and name HA ) 3.0 1.2 0.5
assign ( resid 22 and name HB )( resid 22 and name HG1# ) 3.0 1.2 0.5
assign ( resid 22 and name HB )( resid 22 and name HG2# ) 3.0 1.2 0.5
assign ( resid 22 and name HG1# )( resid 22 and name HA ) 3.0 1.2 0.5
assign ( resid 22 and name HG1# )( resid 22 and name HB ) 3.0 1.2 0.5
assign ( resid 22 and name HG2# )( resid 22 and name HA ) 3.0 1.2 0.5
assign ( resid 22 and name HG2# )( resid 22 and name HB ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 23 and name HD1 ) 3.0 1.2 0.5
assign ( resid 22 and name HA )( resid 23 and name HE1 ) 4.0 2.2 0.5
assign ( resid 22 and name HB )( resid 41 and name HB ) 4.0 2.2 1.0
assign ( resid 22 and name HB )( resid 41 and name HG2# ) 4.0 2.2 1.0
assign ( resid 22 and name HG1# )( resid 41 and name HB ) 3.0 1.2 0.5
assign ( resid 23 and name HE1 )( resid 6 and name HA ) 5.0 3.2 0.5 
assign ( resid 23 and name HE2 )( resid 6 and name HA ) 5.0 3.2 0.5 
assign ( resid 23 and name HD1 )( resid 22 and name HA ) 3.0 2.2 0.5
assign ( resid 23 and name HE1 )( resid 22 and name HA ) 4.0 2.2 0.5
assign ( resid 23 and name HA )( resid 23 and name HB# ) 2.0 0.2 0.2
assign ( resid 23 and name HA )( resid 23 and name HD1 ) 3.0 1.2 0.5
assign ( resid 23 and name HA )( resid 23 and name HD2 ) 3.0 1.2 0.5
assign ( resid 23 and name HB# )( resid 23 and name HA ) 2.0 0.2 0.2
assign ( resid 23 and name HB# )( resid 23 and name HD1 ) 3.0 1.2 0.5
assign ( resid 23 and name HB# )( resid 23 and name HD2 ) 3.0 1.2 0.5
assign ( resid 23 and name HD1 )( resid 23 and name HA ) 3.0 1.2 0.5
assign ( resid 23 and name HD1 )( resid 23 and name HB# ) 3.0 1.2 0.5
assign ( resid 23 and name HD2 )( resid 23 and name HA ) 3.0 1.2 0.5
assign ( resid 23 and name HD2 )( resid 23 and name HB# ) 3.0 1.2 0.5
assign ( resid 23 and name HA )( resid 24 and name HB# ) 4.0 2.2 1.0
assign ( resid 23 and name HD2 )( resid 38 and name HB# ) 4.0 2.2 0.5
assign ( resid 23 and name HA )( resid 40 and name HA ) 2.5 0.7 0.5
assign ( resid 23 and name HA )( resid 40 and name HB ) 4.0 2.2 0.5
assign ( resid 23 and name HE1 )( resid 40 and name HB ) 5.0 3.2 0.5
assign ( resid 23 and name HE1 )( resid 40 and name HG2# ) 5.0 3.2 0.5
assign ( resid 23 and name HE2 )( resid 40 and name HB ) 3.0 1.2 0.5
assign ( resid 23 and name HE2 )( resid 40 and name HG2# ) 3.0 2.2 0.5
assign ( resid 23 and name HB# )( resid 60 and name HA ) 4.0 2.2 0.5
assign ( resid 23 and name HB# )( resid 60 and name HB# ) 4.0 2.2 0.5
assign ( resid 23 and name HD2 )( resid 60 and name HA ) 3.0 1.2 0.5
assign ( resid 23 and name HD2 )( resid 60 and name HG# ) 3.5 1.7 0.5
assign ( resid 23 and name HE2 )( resid 60 and name HA ) 3.0 1.2 0.5
assign ( resid 23 and name HD2 )( resid 63 and name HB# ) 4.0 2.2 0.5
assign ( resid 23 and name HE2 )( resid 63 and name HB# ) 4.0 2.2 0.5
assign ( resid 23 and name HE2 )( resid 64 and name HA ) 3.5 1.7 0.5
assign ( resid 23 and name HE2 )( resid 64 and name HB# ) 3.5 1.7 0.5
assign ( resid 24 and name HB# )( resid 23 and name HA ) 4.0 2.2 1.0
assign ( resid 24 and name HA )( resid 24 and name HB# ) 3.0 1.2 0.5
assign ( resid 24 and name HB# )( resid 24 and name HA ) 3.0 1.2 0.5
assign ( resid 24 and name HA )( resid 25 and name HA ) 4.0 2.2 1.0
assign ( resid 24 and name HB# )( resid 39 and name HB# ) 3.0 1.2 1.0
assign ( resid 25 and name HA )( resid 24 and name HA ) 4.0 2.2 1.0
assign ( resid 25 and name HA )( resid 25 and name HB# ) 4.0 2.2 0.5
assign ( resid 25 and name HB# )( resid 25 and name HA ) 4.0 2.2 0.5
assign ( resid 25 and name HB# )( resid 25 and name HD2# ) 3.0 1.2 0.5
assign ( resid 25 and name HD2# )( resid 25 and name HB# ) 3.0 1.2 0.5
assign ( resid 25 and name HA )( resid 38 and name HA ) 2.5 0.7 0.5
assign ( resid 25 and name HB# )( resid 38 and name HB# ) 5.0 3.2 0.5
assign ( resid 25 and name HB# )( resid 56 and name HD1# ) 3.0 1.2 1.0
assign ( resid 25 and name HD2# )( resid 56 and name HD1# ) 4.0 2.2 0.5
assign ( resid 25 and name HD2# )( resid 60 and name HG# ) 4.5 2.7 0.5
assign ( resid 27 and name HB# )( resid 28 and name HA ) 5.0 3.2 1.0
assign ( resid 27 and name HG# )( resid 28 and name HA ) 4.0 2.2 1.0
assign ( resid 27 and name HG# )( resid 34 and name HB# ) 3.5 1.7 0.5
assign ( resid 27 and name HA )( resid 36 and name HA ) 2.5 0.7 0.5
assign ( resid 27 and name HA )( resid 36 and name HD2 ) 4.0 2.2 0.5
assign ( resid 27 and name HA )( resid 36 and name HE2 ) 5.0 3.2 0.5
assign ( resid 27 and name HB# )( resid 36 and name HD2 ) 4.0 2.2 0.5
assign ( resid 27 and name HB# )( resid 36 and name HD2 ) 4.0 2.2 0.5
assign ( resid 27 and name HB# )( resid 36 and name HD2 ) 4.0 2.2 0.5
assign ( resid 27 and name HB# )( resid 36 and name HE2 ) 3.5 1.7 0.5
assign ( resid 27 and name HB# )( resid 36 and name HE2 ) 4.0 2.2 0.5
assign ( resid 27 and name HD# )( resid 36 and name HE2 ) 3.5 1.7 0.5
assign ( resid 27 and name HD# )( resid 36 and name HE2 ) 3.5 1.7 0.5
assign ( resid 28 and name HA )( resid 27 and name HB# ) 5.0 3.2 1.0
assign ( resid 28 and name HA )( resid 27 and name HG# ) 4.0 2.2 1.0
assign ( resid 28 and name HA )( resid 28 and name HB# ) 3.0 1.2 0.5
assign ( resid 28 and name HA )( resid 28 and name HG# ) 3.0 1.2 0.5
assign ( resid 28 and name HB# )( resid 28 and name HA ) 3.0 1.2 0.5
assign ( resid 28 and name HG# )( resid 28 and name HA ) 3.0 1.2 0.5
assign ( resid 28 and name HB# )( resid 35 and name HB# ) 5.0 3.2 0.5
assign ( resid 29 and name HA# )( resid 30 and name HD# ) 3.0 1.2 0.5
assign ( resid 29 and name HA# )( resid 34 and name HA ) 3.0 1.2 1.0
assign ( resid 30 and name HD# )( resid 29 and name HA# ) 3.0 1.2 0.5
assign ( resid 30 and name HD# )( resid 33 and name HB# ) 4.0 2.2 0.5
assign ( resid 31 and name HA )( resid 31 and name HB# ) 3.0 1.2 0.5
assign ( resid 31 and name HA )( resid 31 and name HD# ) 3.0 1.2 0.5
assign ( resid 31 and name HA )( resid 31 and name HG# ) 3.0 1.2 0.5
assign ( resid 31 and name HB# )( resid 31 and name HA ) 3.0 1.2 0.5
assign ( resid 31 and name HB# )( resid 31 and name HD# ) 3.0 1.2 0.5
assign ( resid 31 and name HB# )( resid 31 and name HG# ) 3.0 1.2 0.5
assign ( resid 31 and name HD# )( resid 31 and name HA ) 3.0 1.2 0.5
assign ( resid 31 and name HD# )( resid 31 and name HB# ) 3.0 1.2 0.5
assign ( resid 31 and name HD# )( resid 31 and name HG# ) 3.0 1.2 0.5
assign ( resid 31 and name HG# )( resid 31 and name HA ) 3.0 1.2 0.5
assign ( resid 31 and name HG# )( resid 31 and name HB# ) 3.0 1.2 0.5
assign ( resid 31 and name HG# )( resid 31 and name HD# ) 3.0 1.2 0.5
assign ( resid 31 and name HB# )( resid 32 and name HA ) 5.0 3.2 1.0
assign ( resid 31 and name HG# )( resid 32 and name HA ) 5.0 3.2 1.0
assign ( resid 32 and name HA )( resid 31 and name HB# ) 5.0 3.2 1.0
assign ( resid 32 and name HA )( resid 31 and name HG# ) 5.0 3.2 1.0
assign ( resid 32 and name HA )( resid 33 and name HA ) 4.0 2.2 1.0
assign ( resid 32 and name HA )( resid 34 and name HD# ) 4.0 2.2 1.0
assign ( resid 33 and name HB# )( resid 30 and name HD# ) 4.0 2.2 0.5
assign ( resid 34 and name HB# )( resid 27 and name HG# ) 3.7 1.7 0.5
assign ( resid 34 and name HD# )( resid 32 and name HA ) 4.0 2.2 0.5
assign ( resid 34 and name HB# )( resid 36 and name HE1 ) 4.0 2.2 0.5
assign ( resid 34 and name HG# )( resid 36 and name HE1 ) 3.0 1.2 0.5
assign ( resid 35 and name HB# )( resid 28 and name HB# ) 5.0 3.2 0.5
assign ( resid 35 and name HA )( resid 35 and name HB# ) 3.0 1.2 0.5
assign ( resid 35 and name HA )( resid 35 and name HD# ) 4.0 2.2 1.0
assign ( resid 35 and name HA )( resid 35 and name HG# ) 3.0 1.2 0.5
assign ( resid 35 and name HB# )( resid 35 and name HA ) 3.0 1.2 0.5
assign ( resid 35 and name HD# )( resid 35 and name HA ) 4.0 2.2 1.0
assign ( resid 35 and name HG# )( resid 35 and name HA ) 3.0 1.2 0.5
assign ( resid 35 and name HB# )( resid 52 and name HB# ) 4.0 2.2 1.0
assign ( resid 35 and name HB# )( resid 52 and name HD1 ) 4.0 2.2 1.0
assign ( resid 35 and name HB# )( resid 52 and name HD2 ) 4.0 2.2 1.0
assign ( resid 36 and name HA )( resid 27 and name HA ) 2.5 0.7 0.5
assign ( resid 36 and name HD2 )( resid 27 and name HA ) 5.0 3.2 0.5
assign ( resid 36 and name HD2 )( resid 27 and name HB# ) 4.0 2.2 0.5
assign ( resid 36 and name HD2 )( resid 27 and name HB# ) 4.0 2.2 0.5
assign ( resid 36 and name HE2 )( resid 27 and name HA ) 4.0 2.2 0.5
assign ( resid 36 and name HE2 )( resid 27 and name HB# ) 3.5 1.7 0.5
assign ( resid 36 and name HE2 )( resid 27 and name HD# ) 3.5 1.7 0.5
assign ( resid 36 and name HE2 )( resid 27 and name HD# ) 4.0 2.2 0.5
assign ( resid 36 and name HE1 )( resid 34 and name HB# ) 4.0 2.2 0.5
assign ( resid 36 and name HE1 )( resid 34 and name HG# ) 3.0 1.2 0.5
assign ( resid 36 and name HD1 )( resid 55 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HD2 )( resid 55 and name HA ) 5.0 3.2 0.5
assign ( resid 36 and name HE1 )( resid 55 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HE2 )( resid 55 and name HA ) 5.0 3.2 0.5
assign ( resid 36 and name HB# )( resid 56 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HD2 )( resid 56 and name HA ) 3.0 1.2 0.5
assign ( resid 36 and name HD2 )( resid 56 and name HD1# ) 3.0 1.2 0.5
assign ( resid 36 and name HD2 )( resid 56 and name HG ) 3.0 1.2 0.5
assign ( resid 36 and name HE2 )( resid 56 and name HA ) 5.0 3.2 0.5
assign ( resid 36 and name HE2 )( resid 56 and name HD1# ) 3.0 1.2 0.5
assign ( resid 36 and name HE2 )( resid 56 and name HG ) 3.0 1.2 0.5
assign ( resid 37 and name HA )( resid 53 and name HD1 ) 3.0 1.2 0.5
assign ( resid 37 and name HA )( resid 53 and name HE1 ) 3.0 1.2 0.5
assign ( resid 37 and name HA )( resid 59 and name HB# ) 3.0 1.2 0.5
assign ( resid 38 and name HB# )( resid 23 and name HD2 ) 4.0 2.2 0.5
assign ( resid 38 and name HA )( resid 25 and name HA ) 2.5 0.5 0.5
assign ( resid 38 and name HB# )( resid 60 and name HA ) 3.0 1.2 0.2
assign ( resid 39 and name HB# )( resid 24 and name HB# ) 3.0 1.2 1.0
assign ( resid 39 and name HA )( resid 48 and name HA ) 3.5 1.7 0.5
assign ( resid 39 and name HA )( resid 63 and name HB# ) 4.0 2.2 1.0
assign ( resid 40 and name HB )( resid 9 and name HD2# ) 5.0 3.2 0.5
assign ( resid 40 and name HG1# )( resid 9 and name HD2# ) 4.0 2.2 1.0
assign ( resid 40 and name HG2# )( resid 9 and name HD2# ) 3.0 1.2 1.0
assign ( resid 40 and name HA )( resid 23 and name HA ) 2.5 0.7 0.5
assign ( resid 40 and name HB )( resid 23 and name HA ) 4.0 2.2 0.5
assign ( resid 40 and name HG1# )( resid 64 and name HA ) 3.5 1.7 0.5
assign ( resid 40 and name HG2# )( resid 64 and name HA ) 4.0 2.2 0.4
assign ( resid 40 and name HG1# )( resid 67 and name HB# ) 4.0 2.2 1.0
assign ( resid 41 and name HB )( resid 22 and name HB ) 4.0 2.2 1.0
assign ( resid 41 and name HB )( resid 22 and name HG1# ) 4.0 2.2 1.0
assign ( resid 41 and name HB )( resid 22 and name HG2# ) 4.0 2.2 1.0
assign ( resid 41 and name HG2# )( resid 22 and name HB ) 3.0 1.2 0.5
assign ( resid 41 and name HA )( resid 46 and name HA ) 2.5 0.7 0.5
assign ( resid 41 and name HA )( resid 46 and name HG# ) 4.0 2.2 0.5
assign ( resid 41 and name HG2# )( resid 46 and name HG2# ) 4.0 2.2 0.5
assign ( resid 42 and name HE1 )( resid 13 and name HA ) 4.0 2.2 1.0
assign ( resid 42 and name HE1 )( resid 13 and name HB# ) 4.0 2.2 1.0
assign ( resid 42 and name HA )( resid 21 and name HA ) 3.0 1.2 0.5
assign ( resid 42 and name HD2 )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 42 and name HD2 )( resid 71 and name HD2# ) 4.0 2.2 0.5
assign ( resid 42 and name HE2 )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 42 and name HE2 )( resid 71 and name HD2# ) 4.0 2.2 0.5
assign ( resid 43 and name HB# )( resid 18 and name HD2# ) 4.0 2.2 0.5
assign ( resid 45 and name HA )( resid 47 and name HE1 ) 4.0 2.2 0.5
assign ( resid 45 and name HB# )( resid 47 and name HD1 ) 4.0 2.2 0.5
assign ( resid 45 and name HB# )( resid 47 and name HE1 ) 3.0 1.2 0.5
assign ( resid 46 and name HA )( resid 41 and name HA ) 2.5 0.7 0.5
assign ( resid 46 and name HG2# )( resid 41 and name HA ) 4.0 2.2 0.5
assign ( resid 46 and name HG2# )( resid 41 and name HG2# ) 4.0 2.2 0.5
assign ( resid 46 and name HA )( resid 47 and name HD1 ) 3.0 1.2 0.5
assign ( resid 47 and name HA )( resid 47 and name HD1 ) 3.0 1.2 0.5
assign ( resid 48 and name HA )( resid 39 and name HA ) 3.5 1.7 0.5
assign ( resid 48 and name HA )( resid 66 and name HD1# ) 4.0 2.2 0.5
assign ( resid 52 and name HB# )( resid 35 and name HB# ) 4.0 2.2 1.0
assign ( resid 52 and name HD1 )( resid 35 and name HB# ) 4.0 2.2 1.0
assign ( resid 52 and name HD2 )( resid 35 and name HB# ) 4.0 2.2 1.0
assign ( resid 53 and name HD1 )( resid 37 and name HA ) 3.0 1.2 0.5
assign ( resid 53 and name HE1 )( resid 37 and name HA ) 3.0 1.2 0.5
assign ( resid 53 and name HD1 )( resid 59 and name HA ) 3.0 1.2 0.5
assign ( resid 53 and name HD1 )( resid 59 and name HB# ) 3.0 1.2 0.5
assign ( resid 53 and name HD2 )( resid 59 and name HA ) 4.0 2.2 0.5
assign ( resid 53 and name HE1 )( resid 59 and name HA ) 3.0 1.2 0.5
assign ( resid 53 and name HE1 )( resid 59 and name HB# ) 3.0 1.2 0.5
assign ( resid 53 and name HE2 )( resid 59 and name HA ) 4.0 2.2 0.5
assign ( resid 55 and name HA )( resid 36 and name HD1 ) 3.0 1.2 0.5
assign ( resid 55 and name HA )( resid 36 and name HE1 ) 3.0 1.2 0.5
assign ( resid 55 and name HA )( resid 36 and name HE2 ) 5.0 3.2 0.5
assign ( resid 55 and name HA )( resid 36 and name HE2 ) 5.0 3.2 0.5
assign ( resid 56 and name HD1# )( resid 25 and name HB# ) 3.0 1.2 1.0
assign ( resid 56 and name HD1# )( resid 25 and name HD2# ) 4.0 2.2 0.5
assign ( resid 56 and name HA )( resid 36 and name HB# ) 3.0 1.2 0.5
assign ( resid 56 and name HA )( resid 36 and name HD2 ) 3.0 1.2 0.5
assign ( resid 56 and name HA )( resid 36 and name HE2 ) 5.0 3.2 0.5
assign ( resid 56 and name HA )( resid 56 and name HB# ) 4.0 2.2 1.0
assign ( resid 56 and name HA )( resid 56 and name HD1# ) 3.0 1.2 0.5
assign ( resid 56 and name HA )( resid 56 and name HD2# ) 4.0 2.2 0.5
assign ( resid 56 and name HA )( resid 56 and name HG ) 4.0 2.2 1.0
assign ( resid 56 and name HB# )( resid 56 and name HA ) 4.0 2.2 1.0
assign ( resid 56 and name HD1# )( resid 56 and name HA ) 3.0 1.2 0.5
assign ( resid 56 and name HD2# )( resid 56 and name HA ) 4.0 2.2 0.5
assign ( resid 56 and name HG )( resid 56 and name HA ) 4.0 2.2 1.0
assign ( resid 56 and name HA )( resid 59 and name HB# ) 4.0 2.2 0.5
assign ( resid 56 and name HD2# )( resid 60 and name HG# ) 3.5 1.7 0.5
assign ( resid 57 and name HA )( resid 57 and name HB# ) 4.0 2.2 1.0
assign ( resid 57 and name HA )( resid 57 and name HD# ) 4.0 2.2 1.0
assign ( resid 57 and name HB# )( resid 57 and name HA ) 4.0 2.2 1.0
assign ( resid 57 and name HD# )( resid 57 and name HA ) 4.0 2.2 1.0
assign ( resid 57 and name HA )( resid 60 and name HB# ) 3.5 1.7 0.5
assign ( resid 57 and name HA )( resid 60 and name HG# ) 3.5 1.7 0.5
assign ( resid 59 and name HB# )( resid 37 and name HA ) 3.0 1.2 0.5
assign ( resid 59 and name HA )( resid 53 and name HD1 ) 3.0 1.2 0.5
assign ( resid 59 and name HA )( resid 53 and name HD2 ) 4.0 2.2 0.5
assign ( resid 59 and name HA )( resid 53 and name HE1 ) 3.0 1.2 0.5
assign ( resid 59 and name HA )( resid 53 and name HE2 ) 4.0 2.2 0.5
assign ( resid 59 and name HB# )( resid 53 and name HD1 ) 3.0 1.2 0.5
assign ( resid 59 and name HB# )( resid 53 and name HE1 ) 3.0 1.2 0.5
assign ( resid 59 and name HB# )( resid 56 and name HA ) 4.0 2.2 0.5
assign ( resid 59 and name HA )( resid 62 and name HB# ) 4.0 2.2 1.0
assign ( resid 60 and name HA )( resid 23 and name HB# ) 4.0 2.2 0.5
assign ( resid 60 and name HA )( resid 23 and name HD2 ) 3.0 1.2 0.5
assign ( resid 60 and name HA )( resid 23 and name HE2 ) 3.0 1.2 0.5
assign ( resid 60 and name HB# )( resid 23 and name HB# ) 4.0 2.2 0.5
assign ( resid 60 and name HG# )( resid 23 and name HD2 ) 3.5 1.7 0.5
assign ( resid 60 and name HG# )( resid 25 and name HD2# ) 4.5 2.7 0.5
assign ( resid 60 and name HA )( resid 38 and name HB# ) 3.0 1.2 0.2
assign ( resid 60 and name HG# )( resid 56 and name HD2# ) 3.5 1.7 0.5
assign ( resid 60 and name HB# )( resid 57 and name HA ) 3.5 1.7 0.5
assign ( resid 60 and name HG# )( resid 57 and name HA ) 3.5 1.7 0.5
assign ( resid 60 and name HB# )( resid 61 and name HA ) 3.5 1.7 0.5
assign ( resid 60 and name HA )( resid 63 and name HB# ) 4.0 2.2 1.0
assign ( resid 61 and name HA )( resid 5 and name HD1 ) 4.0 2.2 0.5
assign ( resid 61 and name HA )( resid 60 and name HB# ) 3.5 1.7 0.5
assign ( resid 61 and name HA )( resid 64 and name HB# ) 4.0 2.2 1.0
assign ( resid 62 and name HB# )( resid 59 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HB# )( resid 23 and name HD2 ) 4.0 2.2 0.5
assign ( resid 63 and name HB# )( resid 23 and name HE2 ) 4.0 2.2 0.5
assign ( resid 63 and name HB# )( resid 39 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HB# )( resid 60 and name HA ) 4.0 2.2 1.0
assign ( resid 63 and name HA )( resid 66 and name HD1# ) 3.0 1.2 0.5
assign ( resid 63 and name HA )( resid 66 and name HG2# ) 4.0 2.2 0.5
assign ( resid 63 and name HB# )( resid 66 and name HD1# ) 4.0 2.2 0.5
assign ( resid 64 and name HB# )( resid 6 and name HA ) 3.0 1.2 0.5
assign ( resid 64 and name HA )( resid 9 and name HB# ) 4.0 2.2 0.5
assign ( resid 64 and name HA )( resid 9 and name HD1# ) 4.0 2.2 1.0
assign ( resid 64 and name HA )( resid 9 and name HD2# ) 3.0 1.2 0.5
assign ( resid 64 and name HB# )( resid 9 and name HB# ) 4.0 2.2 1.0
assign ( resid 64 and name HB# )( resid 9 and name HD2# ) 3.0 1.2 1.0
assign ( resid 64 and name HA )( resid 23 and name HE2 ) 3.5 1.7 0.5
assign ( resid 64 and name HB# )( resid 23 and name HE2 ) 3.5 1.7 0.5
assign ( resid 64 and name HA )( resid 40 and name HG1# ) 3.5 1.7 0.5
assign ( resid 64 and name HA )( resid 40 and name HG2# ) 4.0 2.2 0.5
assign ( resid 64 and name HB# )( resid 61 and name HA ) 4.0 2.2 1.0
assign ( resid 64 and name HA )( resid 67 and name HB# ) 3.5 1.7 0.5
assign ( resid 65 and name HA )( resid 5 and name HB# ) 4.0 2.2 0.5
assign ( resid 65 and name HA )( resid 5 and name HD2 ) 3.0 1.2 0.5
assign ( resid 65 and name HA )( resid 5 and name HE2 ) 3.0 1.2 0.5
assign ( resid 65 and name HB# )( resid 5 and name HD2 ) 4.0 2.2 0.5
assign ( resid 65 and name HB# )( resid 5 and name HE2 ) 4.0 2.2 0.5
assign ( resid 65 and name HA )( resid 68 and name HB ) 4.0 2.2 1.0
assign ( resid 65 and name HA )( resid 68 and name HG1# ) 3.0 1.2 0.5
assign ( resid 66 and name HD1# )( resid 48 and name HA ) 4.0 2.2 0.5
assign ( resid 66 and name HD1# )( resid 63 and name HA ) 3.0 1.2 0.5
assign ( resid 66 and name HD1# )( resid 63 and name HB# ) 4.0 2.2 0.5
assign ( resid 66 and name HG2# )( resid 63 and name HA ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 66 and name HB ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 66 and name HD1# ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 66 and name HG1# ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 66 and name HG2# ) 4.0 2.2 0.5
assign ( resid 66 and name HA )( resid 69 and name HB# ) 3.5 1.7 0.5
assign ( resid 67 and name HB# )( resid 9 and name HD1# ) 3.0 1.2 1.0
assign ( resid 67 and name HB# )( resid 9 and name HD2# ) 3.0 1.2 1.0
assign ( resid 67 and name HB# )( resid 40 and name HG1# ) 4.0 2.2 1.0
assign ( resid 67 and name HB# )( resid 64 and name HA ) 3.5 1.7 0.5
assign ( resid 67 and name HA )( resid 70 and name HB# ) 4.0 2.2 1.0
assign ( resid 68 and name HA )( resid 9 and name HD1# ) 4.0 2.2 0.5
assign ( resid 68 and name HB )( resid 9 and name HD1# ) 4.0 2.2 0.5
assign ( resid 68 and name HB )( resid 65 and name HA ) 4.0 2.2 1.0
assign ( resid 68 and name HG1# )( resid 65 and name HA ) 3.0 1.2 0.5
assign ( resid 68 and name HA )( resid 68 and name HB ) 3.0 1.2 0.5
assign ( resid 68 and name HB )( resid 68 and name HA ) 3.0 1.2 0.5
assign ( resid 68 and name HG1# )( resid 69 and name HA ) 4.0 2.2 0.5
assign ( resid 68 and name HA )( resid 71 and name HD1# ) 3.0 1.2 0.5
assign ( resid 69 and name HB# )( resid 66 and name HA ) 3.5 1.7 0.5
assign ( resid 69 and name HA )( resid 68 and name HG1# ) 4.0 2.2 0.5
assign ( resid 69 and name HA )( resid 69 and name HB# ) 4.0 2.2 1.0
assign ( resid 69 and name HB# )( resid 69 and name HA ) 4.0 2.2 1.0
assign ( resid 69 and name HB# )( resid 70 and name HA ) 4.0 2.2 1.0
assign ( resid 70 and name HB# )( resid 47 and name HD2 ) 4.0 2.2 0.5
assign ( resid 70 and name HB# )( resid 47 and name HE2 ) 3.0 1.2 0.5
assign ( resid 70 and name HB# )( resid 67 and name HA ) 4.0 2.2 1.0
assign ( resid 70 and name HA )( resid 69 and name HB# ) 4.0 2.2 1.0
assign ( resid 70 and name HA )( resid 70 and name HB# ) 4.0 2.2 1.0
assign ( resid 70 and name HB# )( resid 70 and name HA ) 4.0 2.2 1.0
assign ( resid 70 and name HA )( resid 71 and name HA ) 4.0 2.2 1.0
assign ( resid 71 and name HD1# )( resid 9 and name HD1# ) 3.0 1.2 1.0
assign ( resid 71 and name HD1# )( resid 12 and name HD2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD1# )( resid 12 and name HE2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD1# )( resid 42 and name HD2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD1# )( resid 42 and name HE2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD2# )( resid 42 and name HD2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD2# )( resid 42 and name HE2 ) 4.0 2.2 0.5
assign ( resid 71 and name HD1# )( resid 68 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HA )( resid 70 and name HA ) 4.0 2.2 1.0
assign ( resid 71 and name HA )( resid 71 and name HB# ) 3.0 1.2 0.5
assign ( resid 71 and name HA )( resid 71 and name HD1# ) 4.0 2.2 0.5
assign ( resid 71 and name HA )( resid 71 and name HD2# ) 3.0 1.2 0.5
assign ( resid 71 and name HA )( resid 71 and name HG ) 3.0 1.2 0.5
assign ( resid 71 and name HB# )( resid 71 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HB# )( resid 71 and name HD1# ) 3.0 1.2 0.5
assign ( resid 71 and name HB# )( resid 71 and name HD2# ) 3.0 1.2 0.5
assign ( resid 71 and name HB# )( resid 71 and name HG ) 3.0 1.2 0.5
assign ( resid 71 and name HD1# )( resid 71 and name HA ) 4.0 2.2 0.5
assign ( resid 71 and name HD1# )( resid 71 and name HB# ) 3.0 1.2 0.5
assign ( resid 71 and name HD1# )( resid 71 and name HD2# ) 3.0 1.2 0.5
assign ( resid 71 and name HD2# )( resid 71 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HD2# )( resid 71 and name HB# ) 3.0 1.2 0.5
assign ( resid 71 and name HD2# )( resid 71 and name HD1# ) 3.0 1.2 0.5
assign ( resid 71 and name HG )( resid 71 and name HA ) 3.0 1.2 0.5
assign ( resid 71 and name HG )( resid 71 and name HB# ) 3.0 1.2 0.5
assign ( resid 72 and name HA )( resid 72 and name HB ) 3.0 1.2 0.5
assign ( resid 72 and name HA )( resid 72 and name HG2# ) 3.0 1.2 0.5

!! H-bonds

! ################ Begion of dsRBD1 #####################

! ~~~~~~~~~~~~~~ 1. alpha helix ~~~~~~~~~~~~~~~~~~~
assign (resid 5 and name O)
       (resid 9 and name HN)   2.15 0.35 0.35
assign (resid 5 and name O)
       (resid 9 and name N)    2.90 0.40 0.40
       
assign (resid 6 and name O)
       (resid 10 and name HN)   2.15 0.35 0.35
assign (resid 6 and name O)
       (resid 10 and name N)    2.90 0.40 0.40
       
assign (resid 7 and name O)
       (resid 11 and name HN)   2.15 0.35 0.35
assign (resid 7 and name O)
       (resid 11 and name N)    2.90 0.40 0.40
       
assign (resid 8 and name O)
       (resid 12 and name HN)   2.15 0.35 0.35
assign (resid 8 and name O)
       (resid 12 and name N)    2.90 0.40 0.40

assign (resid 9 and name O)
       (resid 13 and name HN)   2.15 0.35 0.35
assign (resid 9 and name O)
       (resid 13 and name N)    2.90 0.40 0.40
       
assign (resid 10 and name O)
       (resid 14 and name HN)   2.15 0.35 0.35
assign (resid 10 and name O)
       (resid 14 and name N)    2.90 0.40 0.40
       
assign (resid 11 and name O)
       (resid 15 and name HN)   2.15 0.35 0.35
assign (resid 11 and name O)
       (resid 15 and name N)    2.90 0.40 0.40
       
assign (resid 12 and name O)
       (resid 16 and name HN)   2.15 0.35 0.35
assign (resid 12 and name O)
       (resid 16 and name N)    2.90 0.40 0.40
       
! ~~~~~~~~~~~~~~ 2. Beta Strand ~~~~~~~~~~~~~~~~~~~

assign (resid 22 and name O)
       (resid 41 and name HN)   2.15 0.35 0.35
assign (resid 22 and name O)
       (resid 41 and name N)    2.90 0.40 0.40
       
assign (resid 24 and name O)
       (resid 39 and name HN)   2.15 0.35 0.35
assign (resid 24 and name O)
       (resid 39 and name N)    2.90 0.40 0.40

assign (resid 26 and name O)
       (resid 37 and name HN)   2.15 0.35 0.35
assign (resid 26 and name O)
       (resid 37 and name N)    2.90 0.40 0.40
       
assign (resid 28 and name O)
       (resid 35 and name HN)   2.15 0.35 0.35
assign (resid 28 and name O)
       (resid 35 and name N)    2.90 0.40 0.40

! ~~~~~~~~~~~~~~ 3. Beta Strand ~~~~~~~~~~~~~~~~~~~
       
assign (resid 35 and name O)
       (resid 28 and name HN)   2.15 0.35 0.35
assign (resid 35 and name O)
       (resid 28 and name N)    2.90 0.40 0.40
       
assign (resid 37 and name O)
       (resid 26 and name HN)   2.15 0.35 0.35
assign (resid 37 and name O)
       (resid 26 and name N)    2.90 0.40 0.40

assign (resid 39 and name O)
       (resid 24 and name HN)   2.15 0.35 0.35
assign (resid 39 and name O)
       (resid 24 and name N)    2.90 0.40 0.40
       
assign (resid 41 and name O)
       (resid 22 and name HN)   2.15 0.35 0.35
assign (resid 41 and name O)
       (resid 22 and name N)    2.90 0.40 0.40
      
assign (resid 40 and name O)
       (resid 47 and name HN)   2.15 0.35 0.35
assign (resid 40 and name O)
       (resid 47 and name N)    2.90 0.40 0.40

! ~~~~~~~~~~~~~~ 4. Beta Strand ~~~~~~~~~~~~~~~~~~~

assign (resid 47 and name O)
       (resid 40 and name HN)   2.15 0.35 0.35
assign (resid 47 and name O)
       (resid 40 and name N)    2.90 0.40 0.40

assign (resid 53 and name O)
       (resid 36 and name HN)   2.15 0.35 0.35      
assign (resid 53 and name O)
       (resid 36 and name N)    2.90 0.40 0.40 
! ~~~~~~~~~~~~~~ 5. alpha helix ~~~~~~~~~~~~~~~~~~~

assign (resid 56 and name O)
       (resid 60 and name HN)   2.15 0.35 0.35
assign (resid 56 and name O)
       (resid 60 and name N)    2.90 0.40 0.40
       
assign (resid 57 and name O)
       (resid 61 and name HN)   2.15 0.35 0.35
assign (resid 57 and name O)
       (resid 61 and name N)    2.90 0.40 0.40
       
assign (resid 58 and name O)
       (resid 62 and name HN)   2.15 0.35 0.35
assign (resid 58 and name O)
       (resid 62 and name N)    2.90 0.40 0.40
       
assign (resid 59 and name O)
       (resid 63 and name HN)   2.15 0.35 0.35
assign (resid 59 and name O)
       (resid 63 and name N)    2.90 0.40 0.40

assign (resid 60 and name O)
       (resid 64 and name HN)   2.15 0.35 0.35
assign (resid 60 and name O)
       (resid 64 and name N)    2.90 0.40 0.40
       
assign (resid 61 and name O)
       (resid 65 and name HN)   2.15 0.35 0.35
assign (resid 61 and name O)
       (resid 65 and name N)    2.90 0.40 0.40
       
assign (resid 62 and name O)
       (resid 66 and name HN)   2.15 0.35 0.35
assign (resid 62 and name O)
       (resid 66 and name N)    2.90 0.40 0.40
       
assign (resid 63 and name O)
       (resid 67 and name HN)   2.15 0.35 0.35
assign (resid 63 and name O)
       (resid 67 and name N)    2.90 0.40 0.40

assign (resid 64 and name O)
       (resid 68 and name HN)   2.15 0.35 0.35
assign (resid 64  and name O)
       (resid 68 and name N)    2.90 0.40 0.40
       
assign (resid 65 and name O)
       (resid 69 and name HN)   2.15 0.35 0.35
assign (resid 65 and name O)
       (resid 69 and name N)    2.90 0.40 0.40
       
assign (resid 66 and name O)
       (resid 70 and name HN)   2.15 0.35 0.35
assign (resid 66 and name O)
       (resid 70 and name N)    2.90 0.40 0.40
       
assign (resid 67 and name O)
       (resid 71 and name HN)   2.15 0.35 0.35
assign (resid 67 and name O)
       (resid 71 and name N)    2.90 0.40 0.40

assign (resid 68 and name O)
       (resid 72 and name HN)   2.15 0.35 0.35
assign (resid 68 and name O)
       (resid 72 and name N)    2.90 0.40 0.40




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  15.742   0.893  -4.356
    2    H2   MET   1           HT2      MET   1  15.319  -0.749  -4.233
    3    H3   MET   1           HT3      MET   1  16.720  -0.168  -3.467
    4    HA   MET   1           HA       MET   1  15.414  -0.114  -1.655
    5    HB2  MET   1           HB2      MET   1  14.473   2.343  -3.171
    6    HB3  MET   1           HB1      MET   1  14.266   2.089  -1.439
    7    HG2  MET   1           HG2      MET   1  16.937   2.162  -2.875
    8    HG3  MET   1           HG1      MET   1  16.254   3.498  -1.952
    9    HE1  MET   1           HE1      MET   1  16.322   2.634   1.592
   10    HE2  MET   1           HE2      MET   1  14.976   1.833   0.787
   11    HE3  MET   1           HE3      MET   1  15.490   3.429   0.249
   12    H    ASP   2           HN       ASP   2  13.532  -0.856  -0.787
   13    HA   ASP   2           HA       ASP   2  11.496  -1.810  -2.619
   14    HB2  ASP   2           HB2      ASP   2  10.509  -2.819  -0.581
   15    HB3  ASP   2           HB1      ASP   2  12.205  -3.253  -0.793
   16    H    HIS   3           HN       HIS   3   9.136  -1.565  -1.822
   17    HA   HIS   3           HA       HIS   3   8.601   1.167  -0.826
   18    HB2  HIS   3           HB2      HIS   3   7.147   0.044  -3.218
   19    HB3  HIS   3           HB1      HIS   3   7.189   1.709  -2.638
   20    HD2  HIS   3           HD2      HIS   3   8.573   0.176  -5.588
   21    HE1  HIS   3           HE1      HIS   3  11.886   2.364  -4.154
   22    HE2  HIS   3           HE2      HIS   3  10.928   1.145  -6.165
   23    H    VAL   4           HN       VAL   4   8.268  -0.779   0.916
   24    HA   VAL   4           HA       VAL   4   5.504  -1.769   0.747
   25    HB   VAL   4           HB       VAL   4   6.219  -3.110   2.735
   26   HG11  VAL   4          HG11      VAL   4   7.817  -4.560   1.376
   27   HG12  VAL   4          HG12      VAL   4   7.734  -3.314   0.129
   28   HG13  VAL   4          HG13      VAL   4   6.277  -4.188   0.601
   29   HG21  VAL   4          HG21      VAL   4   8.065  -1.491   3.375
   30   HG22  VAL   4          HG22      VAL   4   8.991  -2.130   2.016
   31   HG23  VAL   4          HG23      VAL   4   8.547  -3.188   3.353
   32    H    TYR   5           HN       TYR   5   7.419   0.676   2.211
   33    HA   TYR   5           HA       TYR   5   6.211   0.989   4.703
   34    HB2  TYR   5           HB2      TYR   5   7.052   3.323   2.993
   35    HB3  TYR   5           HB1      TYR   5   7.180   3.124   4.740
   36    HD1  TYR   5           HD1      TYR   5   8.557   2.027   1.476
   37    HD2  TYR   5           HD2      TYR   5   9.003   1.966   5.735
   38    HE1  TYR   5           HE1      TYR   5  10.849   1.116   1.222
   39    HE2  TYR   5           HE2      TYR   5  11.289   1.059   5.500
   40    HH   TYR   5           HH       TYR   5  12.671   0.407   2.268
   41    H    LYS   6           HN       LYS   6   5.304   2.341   1.553
   42    HA   LYS   6           HA       LYS   6   3.181   3.955   2.423
   43    HB2  LYS   6           HB2      LYS   6   4.207   4.032   0.158
   44    HB3  LYS   6           HB1      LYS   6   3.432   2.496  -0.221
   45    HG2  LYS   6           HG2      LYS   6   1.215   3.524   0.224
   46    HG3  LYS   6           HG1      LYS   6   2.007   5.066   0.539
   47    HD2  LYS   6           HD2      LYS   6   2.325   3.561  -2.070
   48    HD3  LYS   6           HD1      LYS   6   1.060   4.760  -1.812
   49    HE2  LYS   6           HE2      LYS   6   2.939   6.378  -1.144
   50    HE3  LYS   6           HE1      LYS   6   4.053   5.189  -1.818
   51    HZ1  LYS   6           HZ1      LYS   6   3.406   6.867  -3.446
   52    HZ2  LYS   6           HZ2      LYS   6   1.778   6.410  -3.279
   53    HZ3  LYS   6           HZ3      LYS   6   2.910   5.315  -3.917
   54    H    GLY   7           HN       GLY   7   3.277   0.569   1.398
   55    HA2  GLY   7           HA2      GLY   7   0.495   0.077   1.541
   56    HA3  GLY   7           HA1      GLY   7   1.759  -1.146   1.611
   57    H    GLN   8           HN       GLN   8   3.047   0.074   3.958
   58    HA   GLN   8           HA       GLN   8   1.488  -1.247   5.981
   59    HB2  GLN   8           HB2      GLN   8   4.067   0.318   6.072
   60    HB3  GLN   8           HB1      GLN   8   3.345  -0.452   7.486
   61    HG2  GLN   8           HG2      GLN   8   4.033  -1.925   4.931
   62    HG3  GLN   8           HG1      GLN   8   5.087  -1.861   6.339
   63   HE21  GLN   8          HE21      GLN   8   3.069  -3.955   4.912
   64   HE22  GLN   8          HE22      GLN   8   2.381  -4.711   6.267
   65    H    LEU   9           HN       LEU   9   2.459   2.112   5.376
   66    HA   LEU   9           HA       LEU   9   1.172   3.234   7.622
   67    HB2  LEU   9           HB2      LEU   9   2.883   4.424   6.266
   68    HB3  LEU   9           HB1      LEU   9   1.713   4.545   4.954
   69    HG   LEU   9           HG       LEU   9   0.185   5.809   6.472
   70   HD11  LEU   9          HD11      LEU   9   1.521   6.782   8.549
   71   HD12  LEU   9          HD12      LEU   9   2.431   5.278   8.402
   72   HD13  LEU   9          HD13      LEU   9   0.689   5.236   8.674
   73   HD21  LEU   9          HD21      LEU   9   1.744   7.857   6.652
   74   HD22  LEU   9          HD22      LEU   9   1.507   7.162   5.050
   75   HD23  LEU   9          HD23      LEU   9   2.985   6.817   5.951
   76    H    GLN  10           HN       GLN  10   0.051   2.646   4.343
   77    HA   GLN  10           HA       GLN  10  -2.401   3.962   4.701
   78    HB2  GLN  10           HB2      GLN  10  -1.524   3.393   2.477
   79    HB3  GLN  10           HB1      GLN  10  -1.714   1.677   2.837
   80    HG2  GLN  10           HG2      GLN  10  -4.124   1.941   3.038
   81    HG3  GLN  10           HG1      GLN  10  -3.980   3.687   2.834
   82   HE21  GLN  10          HE21      GLN  10  -2.448   4.118   0.685
   83   HE22  GLN  10          HE22      GLN  10  -3.002   3.286  -0.688
   84    H    ALA  11           HN       ALA  11  -1.423   0.589   5.158
   85    HA   ALA  11           HA       ALA  11  -4.011  -0.372   5.846
   86    HB1  ALA  11           HB1      ALA  11  -1.967  -1.737   5.140
   87    HB2  ALA  11           HB2      ALA  11  -2.930  -2.384   6.468
   88    HB3  ALA  11           HB3      ALA  11  -1.409  -1.557   6.803
   89    H    TYR  12           HN       TYR  12  -1.309   0.922   7.734
   90    HA   TYR  12           HA       TYR  12  -2.311   0.326  10.302
   91    HB2  TYR  12           HB2      TYR  12   0.003   1.017   9.932
   92    HB3  TYR  12           HB1      TYR  12  -0.540   2.607   9.397
   93    HD1  TYR  12           HD2      TYR  12  -1.549   4.200  10.989
   94    HD2  TYR  12           HD1      TYR  12  -0.044   0.386  12.270
   95    HE1  TYR  12           HE2      TYR  12  -1.602   4.971  13.346
   96    HE2  TYR  12           HE1      TYR  12  -0.098   1.156  14.626
   97    HH   TYR  12           HH       TYR  12  -0.289   2.979  15.957
   98    H    ALA  13           HN       ALA  13  -2.508   3.347   8.407
   99    HA   ALA  13           HA       ALA  13  -4.071   4.802  10.203
  100    HB1  ALA  13           HB1      ALA  13  -4.278   6.370   8.505
  101    HB2  ALA  13           HB2      ALA  13  -4.495   5.146   7.253
  102    HB3  ALA  13           HB3      ALA  13  -2.893   5.452   7.915
  103    H    LEU  14           HN       LEU  14  -5.106   2.808   7.431
  104    HA   LEU  14           HA       LEU  14  -7.875   3.210   7.777
  105    HB2  LEU  14           HB2      LEU  14  -6.884   2.304   5.705
  106    HB3  LEU  14           HB1      LEU  14  -6.436   0.835   6.567
  107    HG   LEU  14           HG       LEU  14  -8.862   0.446   7.079
  108   HD11  LEU  14          HD11      LEU  14  -9.099   3.001   5.500
  109   HD12  LEU  14          HD12      LEU  14  -9.935   2.521   6.976
  110   HD13  LEU  14          HD13      LEU  14 -10.400   1.812   5.433
  111   HD21  LEU  14          HD21      LEU  14  -7.998   0.713   4.193
  112   HD22  LEU  14          HD22      LEU  14  -9.473  -0.117   4.694
  113   HD23  LEU  14          HD23      LEU  14  -7.900  -0.720   5.219
  114    H    GLN  15           HN       GLN  15  -5.713   0.631   8.936
  115    HA   GLN  15           HA       GLN  15  -7.733  -0.910  10.160
  116    HB2  GLN  15           HB2      GLN  15  -5.482  -1.788   9.653
  117    HB3  GLN  15           HB1      GLN  15  -4.798  -0.734  10.891
  118    HG2  GLN  15           HG2      GLN  15  -6.108  -1.847  12.621
  119    HG3  GLN  15           HG1      GLN  15  -6.923  -2.833  11.409
  120   HE21  GLN  15          HE21      GLN  15  -6.063  -4.901  11.318
  121   HE22  GLN  15          HE22      GLN  15  -4.433  -5.293  11.585
  122    H    HIS  16           HN       HIS  16  -5.678   1.703  11.348
  123    HA   HIS  16           HA       HIS  16  -6.802   1.556  14.031
  124    HB2  HIS  16           HB2      HIS  16  -4.772   3.371  12.721
  125    HB3  HIS  16           HB1      HIS  16  -5.338   3.601  14.376
  126    HD2  HIS  16           HD2      HIS  16  -4.124   1.928  16.246
  127    HE1  HIS  16           HE1      HIS  16  -2.129  -0.598  13.515
  128    HE2  HIS  16           HE2      HIS  16  -2.423  -0.034  15.974
  129    H    ASN  17           HN       ASN  17  -7.745   2.878  11.103
  130    HA   ASN  17           HA       ASN  17  -9.393   4.364  10.514
  131    HB2  ASN  17           HB2      ASN  17 -10.549   3.118  12.439
  132    HB3  ASN  17           HB1      ASN  17 -10.150   4.519  13.430
  133   HD21  ASN  17          HD21      ASN  17 -12.430   5.129  13.628
  134   HD22  ASN  17          HD22      ASN  17 -13.273   5.793  12.313
  135    H    LEU  18           HN       LEU  18  -7.281   5.669  10.307
  136    HA   LEU  18           HA       LEU  18  -7.551   8.162  11.896
  137    HB2  LEU  18           HB2      LEU  18  -4.990   6.861  10.936
  138    HB3  LEU  18           HB1      LEU  18  -5.105   8.406  11.776
  139    HG   LEU  18           HG       LEU  18  -6.082   5.767  12.914
  140   HD11  LEU  18          HD11      LEU  18  -3.560   5.995  12.574
  141   HD12  LEU  18          HD12      LEU  18  -4.087   5.697  14.230
  142   HD13  LEU  18          HD13      LEU  18  -3.620   7.322  13.734
  143   HD21  LEU  18          HD21      LEU  18  -5.992   8.614  13.909
  144   HD22  LEU  18          HD22      LEU  18  -5.846   7.292  15.064
  145   HD23  LEU  18          HD23      LEU  18  -7.282   7.421  14.057
  146    H    GLU  19           HN       GLU  19  -7.201  10.093  10.791
  147    HA   GLU  19           HA       GLU  19  -8.118  10.386   8.241
  148    HB2  GLU  19           HB2      GLU  19  -6.055  12.059   9.692
  149    HB3  GLU  19           HB1      GLU  19  -6.847  12.551   8.194
  150    HG2  GLU  19           HG2      GLU  19  -9.039  12.401   9.268
  151    HG3  GLU  19           HG1      GLU  19  -8.291  11.831  10.759
  152    H    LEU  20           HN       LEU  20  -7.336  10.219   6.228
  153    HA   LEU  20           HA       LEU  20  -5.322   8.482   5.585
  154    HB2  LEU  20           HB2      LEU  20  -6.001  10.847   3.836
  155    HB3  LEU  20           HB1      LEU  20  -5.513   9.228   3.339
  156    HG   LEU  20           HG       LEU  20  -8.130  10.029   4.643
  157   HD11  LEU  20          HD11      LEU  20  -8.058  10.441   2.250
  158   HD12  LEU  20          HD12      LEU  20  -9.048   9.011   2.544
  159   HD13  LEU  20          HD13      LEU  20  -7.395   8.833   1.956
  160   HD21  LEU  20          HD21      LEU  20  -8.633   7.521   4.272
  161   HD22  LEU  20          HD22      LEU  20  -7.597   7.931   5.639
  162   HD23  LEU  20          HD23      LEU  20  -6.885   7.314   4.148
  163    HA   PRO  21           HA       PRO  21  -1.574  10.760   6.391
  164    HB2  PRO  21           HB2      PRO  21   0.204   9.364   4.867
  165    HB3  PRO  21           HB1      PRO  21  -0.520   8.674   6.327
  166    HG2  PRO  21           HG2      PRO  21  -1.305   8.271   3.473
  167    HG3  PRO  21           HG1      PRO  21  -1.116   7.068   4.764
  168    HD2  PRO  21           HD2      PRO  21  -3.558   8.034   4.041
  169    HD3  PRO  21           HD1      PRO  21  -3.185   7.561   5.714
  170    H    VAL  22           HN       VAL  22  -0.122  12.253   5.440
  171    HA   VAL  22           HA       VAL  22  -0.634  12.932   2.593
  172    HB   VAL  22           HB       VAL  22  -0.548  14.818   4.961
  173   HG11  VAL  22          HG11      VAL  22   0.737  15.909   3.272
  174   HG12  VAL  22          HG12      VAL  22  -0.887  16.580   3.129
  175   HG13  VAL  22          HG13      VAL  22  -0.338  15.351   1.990
  176   HG21  VAL  22          HG21      VAL  22  -2.722  13.688   4.386
  177   HG22  VAL  22          HG22      VAL  22  -2.628  14.434   2.789
  178   HG23  VAL  22          HG23      VAL  22  -2.770  15.444   4.228
  179    H    TYR  23           HN       TYR  23   1.095  13.199   1.433
  180    HA   TYR  23           HA       TYR  23   3.742  13.337   2.720
  181    HB2  TYR  23           HB2      TYR  23   2.876  12.328   0.033
  182    HB3  TYR  23           HB1      TYR  23   4.556  12.523   0.533
  183    HD1  TYR  23           HD1      TYR  23   1.352  10.966   1.659
  184    HD2  TYR  23           HD2      TYR  23   5.621  10.813   1.689
  185    HE1  TYR  23           HE1      TYR  23   1.262   8.809   2.863
  186    HE2  TYR  23           HE2      TYR  23   5.557   8.643   2.891
  187    HH   TYR  23           HH       TYR  23   2.894   6.746   3.058
  188    H    ALA  24           HN       ALA  24   5.326  14.681   1.878
  189    HA   ALA  24           HA       ALA  24   4.327  17.013   0.322
  190    HB1  ALA  24           HB1      ALA  24   5.646  18.459   1.604
  191    HB2  ALA  24           HB2      ALA  24   6.689  17.160   2.185
  192    HB3  ALA  24           HB3      ALA  24   5.049  17.324   2.812
  193    H    ASN  25           HN       ASN  25   5.626  17.742  -1.369
  194    HA   ASN  25           HA       ASN  25   7.991  16.066  -2.035
  195    HB2  ASN  25           HB2      ASN  25   5.963  17.324  -3.896
  196    HB3  ASN  25           HB1      ASN  25   7.396  16.434  -4.401
  197   HD21  ASN  25          HD21      ASN  25   7.151  14.423  -2.217
  198   HD22  ASN  25          HD22      ASN  25   5.834  13.439  -2.641
  199    H    GLU  26           HN       GLU  26   9.837  17.140  -2.165
  200    HA   GLU  26           HA       GLU  26   9.817  19.972  -3.045
  201    HB2  GLU  26           HB2      GLU  26  11.650  19.048  -0.839
  202    HB3  GLU  26           HB1      GLU  26  11.234  20.690  -1.313
  203    HG2  GLU  26           HG2      GLU  26   8.920  20.347  -0.547
  204    HG3  GLU  26           HG1      GLU  26   9.309  18.692  -0.087
  205    H    ARG  27           HN       ARG  27  11.328  20.402  -4.553
  206    HA   ARG  27           HA       ARG  27  13.568  18.494  -4.930
  207    HB2  ARG  27           HB2      ARG  27  11.712  18.044  -6.566
  208    HB3  ARG  27           HB1      ARG  27  11.909  19.691  -7.163
  209    HG2  ARG  27           HG2      ARG  27  14.303  19.185  -7.670
  210    HG3  ARG  27           HG1      ARG  27  14.026  17.520  -7.168
  211    HD2  ARG  27           HD2      ARG  27  13.807  17.578  -9.562
  212    HD3  ARG  27           HD1      ARG  27  12.182  17.411  -8.898
  213    HE   ARG  27           HE       ARG  27  12.753  20.156  -9.225
  214   HH11  ARG  27          HH21      ARG  27  12.212  17.261 -11.036
  215   HH12  ARG  27          HH22      ARG  27  11.539  18.078 -12.408
  216   HH21  ARG  27          HH11      ARG  27  11.876  21.238 -11.018
  217   HH22  ARG  27          HH12      ARG  27  11.348  20.332 -12.397
  218    H    GLU  28           HN       GLU  28  15.429  19.603  -4.779
  219    HA   GLU  28           HA       GLU  28  15.758  22.057  -6.269
  220    HB2  GLU  28           HB2      GLU  28  14.738  22.881  -4.159
  221    HB3  GLU  28           HB1      GLU  28  16.037  22.105  -3.253
  222    HG2  GLU  28           HG2      GLU  28  17.704  23.487  -4.398
  223    HG3  GLU  28           HG1      GLU  28  16.441  24.228  -5.381
  224    H    GLY  29           HN       GLY  29  17.838  22.186  -6.950
  225    HA2  GLY  29           HA2      GLY  29  20.184  21.803  -5.754
  226    HA3  GLY  29           HA1      GLY  29  19.694  20.135  -6.006
  227    HA   PRO  30           HA       PRO  30  21.560  22.557  -9.922
  228    HB2  PRO  30           HB2      PRO  30  23.859  20.762  -9.217
  229    HB3  PRO  30           HB1      PRO  30  23.877  22.376  -9.952
  230    HG2  PRO  30           HG2      PRO  30  24.449  21.933  -7.337
  231    HG3  PRO  30           HG1      PRO  30  23.734  23.440  -7.933
  232    HD2  PRO  30           HD2      PRO  30  22.480  21.330  -6.290
  233    HD3  PRO  30           HD1      PRO  30  21.945  22.997  -6.582
  234    HA   PRO  31           HA       PRO  31  20.421  19.109 -12.530
  235    HB2  PRO  31           HB2      PRO  31  23.019  19.348 -14.003
  236    HB3  PRO  31           HB1      PRO  31  21.360  19.381 -14.632
  237    HG2  PRO  31           HG2      PRO  31  22.815  21.606 -14.432
  238    HG3  PRO  31           HG1      PRO  31  21.069  21.607 -14.119
  239    HD2  PRO  31           HD2      PRO  31  23.333  21.749 -12.161
  240    HD3  PRO  31           HD1      PRO  31  21.723  22.496 -12.097
  241    H    HIS  32           HN       HIS  32  23.942  18.968 -11.884
  242    HA   HIS  32           HA       HIS  32  23.876  16.049 -11.792
  243    HB2  HIS  32           HB2      HIS  32  26.292  16.197 -11.600
  244    HB3  HIS  32           HB1      HIS  32  25.750  17.261 -12.898
  245    HD2  HIS  32           HD2      HIS  32  27.678  17.497  -9.563
  246    HE1  HIS  32           HE1      HIS  32  26.842  21.456 -10.766
  247    HE2  HIS  32           HE2      HIS  32  28.156  20.026  -9.130
  248    H    ALA  33           HN       ALA  33  22.979  18.314  -9.694
  249    HA   ALA  33           HA       ALA  33  23.677  16.636  -7.367
  250    HB1  ALA  33           HB1      ALA  33  23.781  19.639  -7.163
  251    HB2  ALA  33           HB2      ALA  33  25.206  18.709  -7.617
  252    HB3  ALA  33           HB3      ALA  33  24.434  18.435  -6.055
  253    HA   PRO  34           HA       PRO  34  19.244  18.095  -7.437
  254    HB2  PRO  34           HB2      PRO  34  17.983  15.802  -8.111
  255    HB3  PRO  34           HB1      PRO  34  18.701  16.858  -9.344
  256    HG2  PRO  34           HG2      PRO  34  19.762  14.320  -8.179
  257    HG3  PRO  34           HG1      PRO  34  19.800  14.890  -9.857
  258    HD2  PRO  34           HD2      PRO  34  21.941  15.101  -8.083
  259    HD3  PRO  34           HD1      PRO  34  21.726  16.117  -9.524
  260    H    ARG  35           HN       ARG  35  17.924  17.901  -5.616
  261    HA   ARG  35           HA       ARG  35  18.402  15.613  -3.797
  262    HB2  ARG  35           HB2      ARG  35  18.292  18.539  -3.031
  263    HB3  ARG  35           HB1      ARG  35  18.257  17.202  -1.881
  264    HG2  ARG  35           HG2      ARG  35  20.435  16.420  -2.707
  265    HG3  ARG  35           HG1      ARG  35  20.472  17.734  -3.879
  266    HD2  ARG  35           HD2      ARG  35  20.439  19.382  -2.057
  267    HD3  ARG  35           HD1      ARG  35  20.366  18.080  -0.871
  268    HE   ARG  35           HE       ARG  35  22.635  17.646  -1.251
  269   HH11  ARG  35          HH21      ARG  35  21.339  19.875  -3.563
  270   HH12  ARG  35          HH22      ARG  35  22.887  20.346  -4.181
  271   HH21  ARG  35          HH11      ARG  35  24.664  18.257  -2.058
  272   HH22  ARG  35          HH12      ARG  35  24.769  19.430  -3.329
  273    H    PHE  36           HN       PHE  36  16.553  14.674  -3.079
  274    HA   PHE  36           HA       PHE  36  14.016  16.177  -3.582
  275    HB2  PHE  36           HB2      PHE  36  14.495  13.201  -3.418
  276    HB3  PHE  36           HB1      PHE  36  12.960  13.998  -3.775
  277    HD1  PHE  36           HD2      PHE  36  12.700  15.339  -5.786
  278    HD2  PHE  36           HD1      PHE  36  16.207  13.012  -5.080
  279    HE1  PHE  36           HE2      PHE  36  13.257  15.478  -8.192
  280    HE2  PHE  36           HE1      PHE  36  16.803  13.177  -7.457
  281    HZ   PHE  36           HZ       PHE  36  15.328  14.400  -9.041
  282    H    ARG  37           HN       ARG  37  13.592  17.091  -1.629
  283    HA   ARG  37           HA       ARG  37  13.720  15.347   0.761
  284    HB2  ARG  37           HB2      ARG  37  13.435  18.345   0.463
  285    HB3  ARG  37           HB1      ARG  37  13.367  17.492   2.002
  286    HG2  ARG  37           HG2      ARG  37  15.635  16.657   1.694
  287    HG3  ARG  37           HG1      ARG  37  15.709  17.361   0.077
  288    HD2  ARG  37           HD2      ARG  37  16.859  18.829   1.664
  289    HD3  ARG  37           HD1      ARG  37  15.403  19.618   1.066
  290    HE   ARG  37           HE       ARG  37  14.838  18.205   3.471
  291   HH11  ARG  37          HH21      ARG  37  16.438  21.013   2.217
  292   HH12  ARG  37          HH22      ARG  37  16.232  21.944   3.662
  293   HH21  ARG  37          HH11      ARG  37  14.565  19.430   5.370
  294   HH22  ARG  37          HH12      ARG  37  15.174  21.050   5.444
  295    H    CYS  38           HN       CYS  38  11.905  14.200   0.969
  296    HA   CYS  38           HA       CYS  38   9.297  15.581   0.631
  297    HB2  CYS  38           HB2      CYS  38   9.911  12.623   0.497
  298    HB3  CYS  38           HB1      CYS  38   8.332  13.368   0.254
  299    HG   CYS  38           HG       CYS  38  10.510  13.198  -1.838
  300    H    ASN  39           HN       ASN  39   8.051  15.849   2.343
  301    HA   ASN  39           HA       ASN  39   8.826  14.535   4.888
  302    HB2  ASN  39           HB2      ASN  39   7.114  16.995   4.448
  303    HB3  ASN  39           HB1      ASN  39   7.656  16.357   5.997
  304   HD21  ASN  39          HD21      ASN  39   8.486  18.511   3.471
  305   HD22  ASN  39          HD22      ASN  39  10.100  18.782   3.922
  306    H    VAL  40           HN       VAL  40   7.213  13.616   6.212
  307    HA   VAL  40           HA       VAL  40   4.663  12.992   4.815
  308    HB   VAL  40           HB       VAL  40   5.980  10.978   4.885
  309   HG11  VAL  40          HG11      VAL  40   6.234  11.239   7.885
  310   HG12  VAL  40          HG12      VAL  40   7.459  11.908   6.808
  311   HG13  VAL  40          HG13      VAL  40   7.125  10.182   6.794
  312   HG21  VAL  40          HG21      VAL  40   4.500   9.544   6.077
  313   HG22  VAL  40          HG22      VAL  40   3.520  10.936   5.619
  314   HG23  VAL  40          HG23      VAL  40   4.128  10.790   7.268
  315    H    THR  41           HN       THR  41   2.994  13.857   5.776
  316    HA   THR  41           HA       THR  41   3.157  14.623   8.627
  317    HB   THR  41           HB       THR  41   1.112  15.319   6.507
  318    HG1  THR  41           HG1      THR  41   2.156  17.245   6.431
  319   HG21  THR  41          HG21      THR  41   0.059  15.370   8.668
  320   HG22  THR  41          HG22      THR  41   0.435  17.037   8.233
  321   HG23  THR  41          HG23      THR  41   1.454  16.175   9.387
  322    H    PHE  42           HN       PHE  42   2.280  13.352  10.126
  323    HA   PHE  42           HA       PHE  42  -0.183  11.865   9.522
  324    HB2  PHE  42           HB2      PHE  42   2.045  10.460   9.196
  325    HB3  PHE  42           HB1      PHE  42   2.029  10.391  10.956
  326    HD1  PHE  42           HD1      PHE  42  -0.358  10.078   8.125
  327    HD2  PHE  42           HD2      PHE  42   0.893   8.536  11.915
  328    HE1  PHE  42           HE1      PHE  42  -2.104   8.336   7.969
  329    HE2  PHE  42           HE2      PHE  42  -0.853   6.765  11.759
  330    HZ   PHE  42           HZ       PHE  42  -2.348   6.675   9.797
  331    H    CYS  43           HN       CYS  43  -1.553  11.803  11.249
  332    HA   CYS  43           HA       CYS  43  -2.431  12.480  13.273
  333    HB2  CYS  43           HB2      CYS  43  -1.253  10.396  13.893
  334    HB3  CYS  43           HB1      CYS  43   0.193  11.337  14.254
  335    HG   CYS  43           HG       CYS  43  -2.430  12.004  15.798
  336    H    GLY  44           HN       GLY  44  -1.015  14.517  11.864
  337    HA2  GLY  44           HA2      GLY  44  -0.410  16.720  12.232
  338    HA3  GLY  44           HA1      GLY  44  -0.763  16.460  13.936
  339    H    GLN  45           HN       GLN  45   1.550  14.541  12.114
  340    HA   GLN  45           HA       GLN  45   3.805  15.920  13.447
  341    HB2  GLN  45           HB2      GLN  45   3.378  12.928  13.349
  342    HB3  GLN  45           HB1      GLN  45   4.799  13.756  13.995
  343    HG2  GLN  45           HG2      GLN  45   1.974  14.122  15.025
  344    HG3  GLN  45           HG1      GLN  45   3.195  13.099  15.781
  345   HE21  GLN  45          HE21      GLN  45   1.818  16.053  16.162
  346   HE22  GLN  45          HE22      GLN  45   3.132  16.916  16.801
  347    H    THR  46           HN       THR  46   5.402  16.386  12.081
  348    HA   THR  46           HA       THR  46   5.413  15.060   9.437
  349    HB   THR  46           HB       THR  46   6.542  17.036   8.608
  350    HG1  THR  46           HG1      THR  46   7.499  18.349   9.925
  351   HG21  THR  46          HG21      THR  46   4.770  18.695   8.987
  352   HG22  THR  46          HG22      THR  46   4.200  17.779  10.383
  353   HG23  THR  46          HG23      THR  46   4.075  17.088   8.764
  354    H    PHE  47           HN       PHE  47   6.777  13.395   9.478
  355    HA   PHE  47           HA       PHE  47   9.318  13.589  10.924
  356    HB2  PHE  47           HB2      PHE  47   7.872  11.329   9.546
  357    HB3  PHE  47           HB1      PHE  47   9.535  11.177  10.110
  358    HD1  PHE  47           HD1      PHE  47   6.092  12.027  11.202
  359    HD2  PHE  47           HD2      PHE  47  10.019  10.784  12.403
  360    HE1  PHE  47           HE1      PHE  47   5.250  11.570  13.491
  361    HE2  PHE  47           HE2      PHE  47   9.183  10.343  14.697
  362    HZ   PHE  47           HZ       PHE  47   6.796  10.736  15.240
  363    H    GLN  48           HN       GLN  48  11.302  13.585   9.953
  364    HA   GLN  48           HA       GLN  48  11.551  13.307   7.067
  365    HB2  GLN  48           HB2      GLN  48  10.914  15.683   7.353
  366    HB3  GLN  48           HB1      GLN  48  12.274  15.904   8.451
  367    HG2  GLN  48           HG2      GLN  48  12.870  16.668   6.198
  368    HG3  GLN  48           HG1      GLN  48  13.836  15.268   6.638
  369   HE21  GLN  48          HE21      GLN  48  14.138  14.263   4.604
  370   HE22  GLN  48          HE22      GLN  48  12.860  13.776   3.597
  371    H    SER  49           HN       SER  49  13.627  12.833   6.416
  372    HA   SER  49           HA       SER  49  15.454  11.983   8.526
  373    HB2  SER  49           HB2      SER  49  16.661  10.872   6.743
  374    HB3  SER  49           HB1      SER  49  14.942  10.540   6.551
  375    HG   SER  49           HG       SER  49  16.437  12.553   5.210
  376    H    SER  50           HN       SER  50  17.769  12.509   8.381
  377    HA   SER  50           HA       SER  50  18.149  15.358   7.829
  378    HB2  SER  50           HB2      SER  50  20.198  15.138   9.079
  379    HB3  SER  50           HB1      SER  50  18.935  14.287   9.963
  380    HG   SER  50           HG       SER  50  19.693  12.361   8.863
  381    H    GLU  51           HN       GLU  51  18.406  12.531   6.118
  382    HA   GLU  51           HA       GLU  51  20.649  13.536   4.452
  383    HB2  GLU  51           HB2      GLU  51  19.583  10.731   4.836
  384    HB3  GLU  51           HB1      GLU  51  20.782  11.180   3.623
  385    HG2  GLU  51           HG2      GLU  51  22.288  11.994   5.376
  386    HG3  GLU  51           HG1      GLU  51  21.086  11.611   6.607
  387    H    PHE  52           HN       PHE  52  20.403  13.647   2.267
  388    HA   PHE  52           HA       PHE  52  17.616  13.713   1.284
  389    HB2  PHE  52           HB2      PHE  52  19.016  14.842  -0.750
  390    HB3  PHE  52           HB1      PHE  52  18.432  15.765   0.636
  391    HD1  PHE  52           HD2      PHE  52  19.888  15.729   2.699
  392    HD2  PHE  52           HD1      PHE  52  21.329  14.882  -1.216
  393    HE1  PHE  52           HE2      PHE  52  22.202  16.325   3.445
  394    HE2  PHE  52           HE1      PHE  52  23.649  15.469  -0.513
  395    HZ   PHE  52           HZ       PHE  52  24.083  16.190   1.827
  396    H    PHE  53           HN       PHE  53  16.946  12.491  -0.229
  397    HA   PHE  53           HA       PHE  53  18.583  10.234  -1.090
  398    HB2  PHE  53           HB2      PHE  53  15.746  10.543  -1.995
  399    HB3  PHE  53           HB1      PHE  53  16.613   9.096  -1.478
  400    HD1  PHE  53           HD1      PHE  53  15.041  12.233  -0.288
  401    HD2  PHE  53           HD2      PHE  53  16.618   8.416   0.817
  402    HE1  PHE  53           HE1      PHE  53  14.095  12.523   1.981
  403    HE2  PHE  53           HE2      PHE  53  15.694   8.714   3.079
  404    HZ   PHE  53           HZ       PHE  53  14.418  10.743   3.674
  405    HA   PRO  54           HA       PRO  54  19.198  11.922  -5.161
  406    HB2  PRO  54           HB2      PRO  54  19.887   9.721  -6.559
  407    HB3  PRO  54           HB1      PRO  54  20.918  10.360  -5.261
  408    HG2  PRO  54           HG2      PRO  54  19.001   8.066  -5.192
  409    HG3  PRO  54           HG1      PRO  54  20.632   8.190  -4.507
  410    HD2  PRO  54           HD2      PRO  54  18.320   8.548  -3.027
  411    HD3  PRO  54           HD1      PRO  54  19.895   9.259  -2.608
  412    H    THR  55           HN       THR  55  16.562   9.951  -4.417
  413    HA   THR  55           HA       THR  55  15.288  10.521  -7.034
  414    HB   THR  55           HB       THR  55  14.106   8.184  -6.537
  415    HG1  THR  55           HG1      THR  55  15.690   6.780  -5.607
  416   HG21  THR  55          HG21      THR  55  15.832   7.064  -7.921
  417   HG22  THR  55          HG22      THR  55  16.910   8.437  -7.667
  418   HG23  THR  55          HG23      THR  55  15.403   8.652  -8.557
  419    H    LEU  56           HN       LEU  56  13.032  10.724  -6.996
  420    HA   LEU  56           HA       LEU  56  12.030  12.082  -4.736
  421    HB2  LEU  56           HB2      LEU  56  11.319  11.847  -7.388
  422    HB3  LEU  56           HB1      LEU  56   9.972  11.060  -6.574
  423    HG   LEU  56           HG       LEU  56  11.038  13.809  -5.871
  424   HD11  LEU  56          HD11      LEU  56   8.663  12.928  -7.500
  425   HD12  LEU  56          HD12      LEU  56  10.061  13.841  -8.064
  426   HD13  LEU  56          HD13      LEU  56   8.925  14.577  -6.935
  427   HD21  LEU  56          HD21      LEU  56   9.903  12.576  -4.012
  428   HD22  LEU  56          HD22      LEU  56   8.493  12.368  -5.048
  429   HD23  LEU  56          HD23      LEU  56   8.981  13.983  -4.537
  430    H    LYS  57           HN       LYS  57  10.734   8.996  -6.121
  431    HA   LYS  57           HA       LYS  57   9.058   8.379  -4.034
  432    HB2  LYS  57           HB2      LYS  57  10.605   6.568  -5.905
  433    HB3  LYS  57           HB1      LYS  57   9.316   6.010  -4.842
  434    HG2  LYS  57           HG2      LYS  57   7.739   7.567  -5.917
  435    HG3  LYS  57           HG1      LYS  57   9.026   8.138  -6.981
  436    HD2  LYS  57           HD2      LYS  57   9.281   5.896  -7.928
  437    HD3  LYS  57           HD1      LYS  57   8.060   5.268  -6.822
  438    HE2  LYS  57           HE2      LYS  57   7.071   5.691  -9.030
  439    HE3  LYS  57           HE1      LYS  57   6.380   6.785  -7.832
  440    HZ1  LYS  57           HZ1      LYS  57   8.662   8.003  -8.850
  441    HZ2  LYS  57           HZ2      LYS  57   7.044   8.469  -9.079
  442    HZ3  LYS  57           HZ3      LYS  57   7.792   7.416 -10.183
  443    H    SER  58           HN       SER  58  12.511   7.858  -4.329
  444    HA   SER  58           HA       SER  58  12.894   6.012  -2.264
  445    HB2  SER  58           HB2      SER  58  14.760   6.488  -3.636
  446    HB3  SER  58           HB1      SER  58  14.622   8.223  -3.366
  447    HG   SER  58           HG       SER  58  16.288   7.146  -2.125
  448    H    ALA  59           HN       ALA  59  12.496   9.509  -2.210
  449    HA   ALA  59           HA       ALA  59  13.096   9.877   0.554
  450    HB1  ALA  59           HB1      ALA  59  13.026  11.655  -1.281
  451    HB2  ALA  59           HB2      ALA  59  12.293  12.092   0.263
  452    HB3  ALA  59           HB3      ALA  59  11.276  11.620  -1.098
  453    H    GLU  60           HN       GLU  60  10.069   9.361  -1.239
  454    HA   GLU  60           HA       GLU  60   8.292   9.723   0.940
  455    HB2  GLU  60           HB2      GLU  60   8.043   8.108  -1.606
  456    HB3  GLU  60           HB1      GLU  60   6.718   8.357  -0.468
  457    HG2  GLU  60           HG2      GLU  60   6.881  10.780  -0.758
  458    HG3  GLU  60           HG1      GLU  60   8.270  10.580  -1.825
  459    H    HIS  61           HN       HIS  61   9.867   6.813  -0.370
  460    HA   HIS  61           HA       HIS  61   8.619   4.946   1.335
  461    HB2  HIS  61           HB2      HIS  61  11.396   4.803   0.133
  462    HB3  HIS  61           HB1      HIS  61  10.433   3.444   0.713
  463    HD2  HIS  61           HD2      HIS  61  11.268   4.384  -2.617
  464    HE1  HIS  61           HE1      HIS  61   7.073   4.073  -2.938
  465    HE2  HIS  61           HE2      HIS  61   9.243   4.192  -4.249
  466    H    ALA  62           HN       ALA  62  11.723   6.663   1.620
  467    HA   ALA  62           HA       ALA  62  12.432   5.556   4.137
  468    HB1  ALA  62           HB1      ALA  62  14.087   7.379   4.232
  469    HB2  ALA  62           HB2      ALA  62  13.306   8.157   2.856
  470    HB3  ALA  62           HB3      ALA  62  14.090   6.591   2.655
  471    H    ALA  63           HN       ALA  63  10.604   8.408   3.169
  472    HA   ALA  63           HA       ALA  63  10.495   9.729   5.638
  473    HB1  ALA  63           HB1      ALA  63   9.713  10.851   3.660
  474    HB2  ALA  63           HB2      ALA  63   8.335  10.685   4.746
  475    HB3  ALA  63           HB3      ALA  63   8.503   9.602   3.365
  476    H    ALA  64           HN       ALA  64   8.292   7.297   4.247
  477    HA   ALA  64           HA       ALA  64   6.573   7.205   6.498
  478    HB1  ALA  64           HB1      ALA  64   5.639   6.391   4.506
  479    HB2  ALA  64           HB2      ALA  64   5.920   4.937   5.461
  480    HB3  ALA  64           HB3      ALA  64   7.033   5.368   4.160
  481    H    LYS  65           HN       LYS  65   9.537   5.489   5.672
  482    HA   LYS  65           HA       LYS  65   9.447   3.365   7.466
  483    HB2  LYS  65           HB2      LYS  65  11.200   3.735   5.732
  484    HB3  LYS  65           HB1      LYS  65  11.883   5.005   6.746
  485    HG2  LYS  65           HG2      LYS  65  12.261   3.391   8.555
  486    HG3  LYS  65           HG1      LYS  65  11.531   2.114   7.581
  487    HD2  LYS  65           HD2      LYS  65  13.278   2.421   5.863
  488    HD3  LYS  65           HD1      LYS  65  14.019   3.685   6.847
  489    HE2  LYS  65           HE2      LYS  65  15.199   1.591   7.238
  490    HE3  LYS  65           HE1      LYS  65  14.296   2.019   8.692
  491    HZ1  LYS  65           HZ1      LYS  65  12.515   0.540   7.955
  492    HZ2  LYS  65           HZ2      LYS  65  13.980  -0.297   8.160
  493    HZ3  LYS  65           HZ3      LYS  65  13.434   0.095   6.600
  494    H    ILE  66           HN       ILE  66  10.671   6.672   8.038
  495    HA   ILE  66           HA       ILE  66  11.259   6.151  10.790
  496    HB   ILE  66           HB       ILE  66  11.532   8.652  10.872
  497   HG12  ILE  66          HG12      ILE  66  10.959   8.443   7.904
  498   HG13  ILE  66          HG11      ILE  66   9.831   9.112   9.082
  499   HG21  ILE  66          HG21      ILE  66  13.556   8.639   9.546
  500   HG22  ILE  66          HG22      ILE  66  12.948   7.316   8.551
  501   HG23  ILE  66          HG23      ILE  66  13.357   7.032  10.242
  502   HD11  ILE  66          HD11      ILE  66  10.957  11.008   8.230
  503   HD12  ILE  66          HD12      ILE  66  12.516  10.185   8.223
  504   HD13  ILE  66          HD13      ILE  66  11.790  10.682   9.751
  505    H    ALA  67           HN       ALA  67   8.525   7.398   8.996
  506    HA   ALA  67           HA       ALA  67   7.090   8.497  11.193
  507    HB1  ALA  67           HB1      ALA  67   5.310   8.781   9.692
  508    HB2  ALA  67           HB2      ALA  67   5.775   7.383   8.724
  509    HB3  ALA  67           HB3      ALA  67   6.735   8.859   8.660
  510    H    VAL  68           HN       VAL  68   6.765   5.367   9.509
  511    HA   VAL  68           HA       VAL  68   4.696   4.384  11.170
  512    HB   VAL  68           HB       VAL  68   5.272   3.469   8.915
  513   HG11  VAL  68          HG11      VAL  68   7.510   2.045  10.373
  514   HG12  VAL  68          HG12      VAL  68   7.764   3.472   9.372
  515   HG13  VAL  68          HG13      VAL  68   7.145   1.991   8.648
  516   HG21  VAL  68          HG21      VAL  68   4.777   1.163   9.502
  517   HG22  VAL  68          HG22      VAL  68   3.900   2.223  10.607
  518   HG23  VAL  68          HG23      VAL  68   5.373   1.415  11.142
  519    H    ALA  69           HN       ALA  69   8.185   4.437  11.475
  520    HA   ALA  69           HA       ALA  69   8.388   2.470  13.518
  521    HB1  ALA  69           HB1      ALA  69  10.644   3.265  13.788
  522    HB2  ALA  69           HB2      ALA  69  10.263   4.778  12.968
  523    HB3  ALA  69           HB3      ALA  69  10.275   3.264  12.063
  524    H    SER  70           HN       SER  70   7.771   5.927  13.481
  525    HA   SER  70           HA       SER  70   8.222   6.393  16.258
  526    HB2  SER  70           HB2      SER  70   6.989   8.488  15.898
  527    HB3  SER  70           HB1      SER  70   8.171   8.221  14.618
  528    HG   SER  70           HG       SER  70   6.541   8.361  13.312
  529    H    LEU  71           HN       LEU  71   5.389   5.481  14.364
  530    HA   LEU  71           HA       LEU  71   3.494   5.699  16.476
  531    HB2  LEU  71           HB2      LEU  71   3.344   3.893  14.054
  532    HB3  LEU  71           HB1      LEU  71   1.996   4.476  15.031
  533    HG   LEU  71           HG       LEU  71   3.868   6.206  13.395
  534   HD11  LEU  71          HD11      LEU  71   2.172   4.762  12.161
  535   HD12  LEU  71          HD12      LEU  71   2.050   6.497  11.876
  536   HD13  LEU  71          HD13      LEU  71   0.920   5.704  12.971
  537   HD21  LEU  71          HD21      LEU  71   3.203   7.585  15.170
  538   HD22  LEU  71          HD22      LEU  71   1.621   6.816  15.309
  539   HD23  LEU  71          HD23      LEU  71   1.958   7.910  13.967
  540    H    THR  72           HN       THR  72   5.702   3.186  15.462
  541    HA   THR  72           HA       THR  72   5.334   1.776  17.944
  542    HB   THR  72           HB       THR  72   4.561   0.334  15.399
  543    HG1  THR  72           HG1      THR  72   2.882   1.027  17.559
  544   HG21  THR  72          HG21      THR  72   5.566  -1.118  17.078
  545   HG22  THR  72          HG22      THR  72   3.828  -1.410  17.023
  546   HG23  THR  72          HG23      THR  72   4.518  -0.445  18.327
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  13.785  -2.282  -4.989
    2    H2   MET   1           HT2      MET   1  15.065  -1.368  -5.632
    3    H3   MET   1           HT3      MET   1  13.636  -1.578  -6.524
    4    HA   MET   1           HA       MET   1  14.242   0.299  -4.414
    5    HB2  MET   1           HB2      MET   1  12.261   0.114  -6.696
    6    HB3  MET   1           HB1      MET   1  12.353   1.494  -5.599
    7    HG2  MET   1           HG2      MET   1  14.726   1.812  -6.212
    8    HG3  MET   1           HG1      MET   1  14.616   0.459  -7.333
    9    HE1  MET   1           HE1      MET   1  13.233   0.226  -9.193
   10    HE2  MET   1           HE2      MET   1  12.560   1.502 -10.201
   11    HE3  MET   1           HE3      MET   1  11.645   0.907  -8.819
   12    H    ASP   2           HN       ASP   2  13.552  -0.262  -2.418
   13    HA   ASP   2           HA       ASP   2  11.214  -1.820  -1.918
   14    HB2  ASP   2           HB2      ASP   2  12.991  -0.137  -0.152
   15    HB3  ASP   2           HB1      ASP   2  11.586  -1.002   0.471
   16    H    HIS   3           HN       HIS   3   9.178  -1.209  -1.328
   17    HA   HIS   3           HA       HIS   3   8.513   1.557  -0.808
   18    HB2  HIS   3           HB2      HIS   3   7.060   1.886  -2.710
   19    HB3  HIS   3           HB1      HIS   3   8.660   1.452  -3.311
   20    HD2  HIS   3           HD2      HIS   3   5.032   0.058  -3.363
   21    HE1  HIS   3           HE1      HIS   3   7.509  -2.828  -5.197
   22    HE2  HIS   3           HE2      HIS   3   5.102  -2.163  -4.734
   23    H    VAL   4           HN       VAL   4   8.221  -0.727   0.779
   24    HA   VAL   4           HA       VAL   4   5.423  -1.558   0.573
   25    HB   VAL   4           HB       VAL   4   6.046  -3.055   2.438
   26   HG11  VAL   4          HG11      VAL   4   7.663  -4.436   1.116
   27   HG12  VAL   4          HG12      VAL   4   7.858  -3.075   0.014
   28   HG13  VAL   4          HG13      VAL   4   6.291  -3.872   0.165
   29   HG21  VAL   4          HG21      VAL   4   7.795  -1.567   3.434
   30   HG22  VAL   4          HG22      VAL   4   8.828  -1.913   2.046
   31   HG23  VAL   4          HG23      VAL   4   8.378  -3.208   3.152
   32    H    TYR   5           HN       TYR   5   7.356   0.775   2.160
   33    HA   TYR   5           HA       TYR   5   6.133   1.012   4.658
   34    HB2  TYR   5           HB2      TYR   5   7.028   3.386   3.030
   35    HB3  TYR   5           HB1      TYR   5   7.118   3.146   4.776
   36    HD1  TYR   5           HD1      TYR   5   8.533   2.083   1.511
   37    HD2  TYR   5           HD2      TYR   5   8.919   1.965   5.772
   38    HE1  TYR   5           HE1      TYR   5  10.815   1.138   1.275
   39    HE2  TYR   5           HE2      TYR   5  11.196   1.024   5.553
   40    HH   TYR   5           HH       TYR   5  12.339  -0.450   3.100
   41    H    LYS   6           HN       LYS   6   5.266   2.497   1.545
   42    HA   LYS   6           HA       LYS   6   3.150   4.096   2.445
   43    HB2  LYS   6           HB2      LYS   6   4.151   4.213   0.171
   44    HB3  LYS   6           HB1      LYS   6   3.372   2.679  -0.221
   45    HG2  LYS   6           HG2      LYS   6   1.165   3.664   0.181
   46    HG3  LYS   6           HG1      LYS   6   1.913   5.190   0.653
   47    HD2  LYS   6           HD2      LYS   6   2.886   5.422  -1.594
   48    HD3  LYS   6           HD1      LYS   6   2.168   3.884  -2.072
   49    HE2  LYS   6           HE2      LYS   6   0.759   5.738  -2.843
   50    HE3  LYS   6           HE1      LYS   6  -0.088   4.816  -1.601
   51    HZ1  LYS   6           HZ1      LYS   6  -0.310   7.141  -1.144
   52    HZ2  LYS   6           HZ2      LYS   6   1.372   7.375  -1.228
   53    HZ3  LYS   6           HZ3      LYS   6   0.699   6.458   0.035
   54    H    GLY   7           HN       GLY   7   3.200   0.712   1.384
   55    HA2  GLY   7           HA2      GLY   7   0.397   0.284   1.559
   56    HA3  GLY   7           HA1      GLY   7   1.632  -0.970   1.546
   57    H    GLN   8           HN       GLN   8   3.001   0.209   3.909
   58    HA   GLN   8           HA       GLN   8   1.498  -1.182   5.931
   59    HB2  GLN   8           HB2      GLN   8   4.094   0.356   5.972
   60    HB3  GLN   8           HB1      GLN   8   3.406  -0.407   7.407
   61    HG2  GLN   8           HG2      GLN   8   3.440  -2.587   6.310
   62    HG3  GLN   8           HG1      GLN   8   4.025  -1.857   4.818
   63   HE21  GLN   8          HE21      GLN   8   5.766  -3.687   5.524
   64   HE22  GLN   8          HE22      GLN   8   7.091  -3.077   6.393
   65    H    LEU   9           HN       LEU   9   2.527   2.174   5.442
   66    HA   LEU   9           HA       LEU   9   1.263   3.220   7.733
   67    HB2  LEU   9           HB2      LEU   9   3.010   4.461   6.533
   68    HB3  LEU   9           HB1      LEU   9   1.948   4.611   5.137
   69    HG   LEU   9           HG       LEU   9   0.339   5.911   6.482
   70   HD11  LEU   9          HD11      LEU   9   0.493   5.199   8.696
   71   HD12  LEU   9          HD12      LEU   9   1.356   6.733   8.780
   72   HD13  LEU   9          HD13      LEU   9   2.257   5.218   8.695
   73   HD21  LEU   9          HD21      LEU   9   1.909   7.892   6.975
   74   HD22  LEU   9          HD22      LEU   9   1.911   7.263   5.329
   75   HD23  LEU   9          HD23      LEU   9   3.216   6.838   6.436
   76    H    GLN  10           HN       GLN  10   0.167   2.845   4.418
   77    HA   GLN  10           HA       GLN  10  -2.242   4.226   4.819
   78    HB2  GLN  10           HB2      GLN  10  -1.345   3.727   2.583
   79    HB3  GLN  10           HB1      GLN  10  -1.618   2.007   2.858
   80    HG2  GLN  10           HG2      GLN  10  -4.013   2.346   2.996
   81    HG3  GLN  10           HG1      GLN  10  -3.812   4.096   2.923
   82   HE21  GLN  10          HE21      GLN  10  -2.218   4.632   0.830
   83   HE22  GLN  10          HE22      GLN  10  -2.776   3.922  -0.606
   84    H    ALA  11           HN       ALA  11  -1.360   0.835   5.187
   85    HA   ALA  11           HA       ALA  11  -3.983  -0.114   5.728
   86    HB1  ALA  11           HB1      ALA  11  -1.372  -1.325   6.650
   87    HB2  ALA  11           HB2      ALA  11  -2.023  -1.525   5.023
   88    HB3  ALA  11           HB3      ALA  11  -2.910  -2.153   6.412
   89    H    TYR  12           HN       TYR  12  -1.343   1.085   7.742
   90    HA   TYR  12           HA       TYR  12  -2.413   0.393  10.256
   91    HB2  TYR  12           HB2      TYR  12  -0.097   1.092  10.019
   92    HB3  TYR  12           HB1      TYR  12  -0.605   2.692   9.476
   93    HD1  TYR  12           HD1      TYR  12  -0.730   0.332  12.356
   94    HD2  TYR  12           HD2      TYR  12  -1.192   4.394  11.039
   95    HE1  TYR  12           HE1      TYR  12  -0.880   1.080  14.715
   96    HE2  TYR  12           HE2      TYR  12  -1.343   5.141  13.400
   97    HH   TYR  12           HH       TYR  12  -2.055   3.999  15.647
   98    H    ALA  13           HN       ALA  13  -2.639   3.449   8.419
   99    HA   ALA  13           HA       ALA  13  -4.193   4.868  10.248
  100    HB1  ALA  13           HB1      ALA  13  -4.398   6.458   8.581
  101    HB2  ALA  13           HB2      ALA  13  -4.714   5.261   7.325
  102    HB3  ALA  13           HB3      ALA  13  -3.072   5.514   7.904
  103    H    LEU  14           HN       LEU  14  -5.216   2.830   7.520
  104    HA   LEU  14           HA       LEU  14  -7.985   3.205   7.857
  105    HB2  LEU  14           HB2      LEU  14  -7.006   2.223   5.823
  106    HB3  LEU  14           HB1      LEU  14  -6.512   0.806   6.744
  107    HG   LEU  14           HG       LEU  14  -8.933   0.396   7.311
  108   HD11  LEU  14          HD11      LEU  14 -10.041   2.445   7.086
  109   HD12  LEU  14          HD12      LEU  14 -10.527   1.603   5.618
  110   HD13  LEU  14          HD13      LEU  14  -9.252   2.821   5.554
  111   HD21  LEU  14          HD21      LEU  14  -9.546  -0.362   4.989
  112   HD22  LEU  14          HD22      LEU  14  -7.941  -0.864   5.519
  113   HD23  LEU  14          HD23      LEU  14  -8.114   0.485   4.396
  114    H    GLN  15           HN       GLN  15  -5.804   0.690   9.105
  115    HA   GLN  15           HA       GLN  15  -7.814  -0.789  10.442
  116    HB2  GLN  15           HB2      GLN  15  -5.592  -1.710   9.902
  117    HB3  GLN  15           HB1      GLN  15  -4.858  -0.607  11.067
  118    HG2  GLN  15           HG2      GLN  15  -6.091  -1.629  12.894
  119    HG3  GLN  15           HG1      GLN  15  -6.994  -2.641  11.767
  120   HE21  GLN  15          HE21      GLN  15  -5.488  -3.869  13.817
  121   HE22  GLN  15          HE22      GLN  15  -4.151  -4.658  13.130
  122    H    HIS  16           HN       HIS  16  -5.706   1.852  11.459
  123    HA   HIS  16           HA       HIS  16  -6.775   1.819  14.173
  124    HB2  HIS  16           HB2      HIS  16  -4.333   2.315  13.564
  125    HB3  HIS  16           HB1      HIS  16  -4.908   3.884  13.001
  126    HD2  HIS  16           HD2      HIS  16  -3.953   2.181  16.309
  127    HE1  HIS  16           HE1      HIS  16  -6.024   5.708  17.356
  128    HE2  HIS  16           HE2      HIS  16  -4.594   3.807  18.249
  129    H    ASN  17           HN       ASN  17  -7.862   2.936  11.278
  130    HA   ASN  17           HA       ASN  17  -9.414   4.505  10.637
  131    HB2  ASN  17           HB2      ASN  17 -10.041   4.449  13.596
  132    HB3  ASN  17           HB1      ASN  17 -11.063   5.171  12.356
  133   HD21  ASN  17          HD21      ASN  17 -10.914   2.462  14.178
  134   HD22  ASN  17          HD22      ASN  17 -11.567   1.331  13.095
  135    H    LEU  18           HN       LEU  18  -7.263   5.766  10.381
  136    HA   LEU  18           HA       LEU  18  -7.490   8.310  11.896
  137    HB2  LEU  18           HB2      LEU  18  -4.949   6.954  10.961
  138    HB3  LEU  18           HB1      LEU  18  -5.041   8.527  11.750
  139    HG   LEU  18           HG       LEU  18  -6.035   5.935  12.972
  140   HD11  LEU  18          HD11      LEU  18  -3.533   6.077  12.623
  141   HD12  LEU  18          HD12      LEU  18  -4.034   5.912  14.305
  142   HD13  LEU  18          HD13      LEU  18  -3.532   7.485  13.685
  143   HD21  LEU  18          HD21      LEU  18  -5.908   8.801  13.908
  144   HD22  LEU  18          HD22      LEU  18  -5.778   7.499  15.089
  145   HD23  LEU  18          HD23      LEU  18  -7.217   7.632  14.084
  146    H    GLU  19           HN       GLU  19  -7.096  10.196  10.738
  147    HA   GLU  19           HA       GLU  19  -8.036  10.415   8.179
  148    HB2  GLU  19           HB2      GLU  19  -5.956  12.125   9.559
  149    HB3  GLU  19           HB1      GLU  19  -6.786  12.580   8.071
  150    HG2  GLU  19           HG2      GLU  19  -8.221  11.870  10.642
  151    HG3  GLU  19           HG1      GLU  19  -7.826  13.523  10.172
  152    H    LEU  20           HN       LEU  20  -7.278  10.104   6.187
  153    HA   LEU  20           HA       LEU  20  -5.250   8.379   5.622
  154    HB2  LEU  20           HB2      LEU  20  -5.912  10.650   3.761
  155    HB3  LEU  20           HB1      LEU  20  -5.433   9.006   3.349
  156    HG   LEU  20           HG       LEU  20  -8.048   9.884   4.606
  157   HD11  LEU  20          HD11      LEU  20  -8.981   8.813   2.556
  158   HD12  LEU  20          HD12      LEU  20  -7.336   8.546   1.980
  159   HD13  LEU  20          HD13      LEU  20  -7.941  10.189   2.190
  160   HD21  LEU  20          HD21      LEU  20  -7.509   7.829   5.692
  161   HD22  LEU  20          HD22      LEU  20  -6.824   7.144   4.219
  162   HD23  LEU  20          HD23      LEU  20  -8.567   7.373   4.359
  163    HA   PRO  21           HA       PRO  21  -1.509  10.658   6.346
  164    HB2  PRO  21           HB2      PRO  21   0.244   9.247   4.783
  165    HB3  PRO  21           HB1      PRO  21  -0.402   8.611   6.300
  166    HG2  PRO  21           HG2      PRO  21  -1.260   8.035   3.500
  167    HG3  PRO  21           HG1      PRO  21  -1.064   6.924   4.870
  168    HD2  PRO  21           HD2      PRO  21  -3.513   7.872   4.091
  169    HD3  PRO  21           HD1      PRO  21  -3.135   7.458   5.781
  170    H    VAL  22           HN       VAL  22  -0.106  12.164   5.376
  171    HA   VAL  22           HA       VAL  22  -0.619  12.803   2.531
  172    HB   VAL  22           HB       VAL  22  -0.538  14.722   4.877
  173   HG11  VAL  22          HG11      VAL  22   0.680  15.837   3.178
  174   HG12  VAL  22          HG12      VAL  22  -0.968  16.439   3.005
  175   HG13  VAL  22          HG13      VAL  22  -0.362  15.205   1.902
  176   HG21  VAL  22          HG21      VAL  22  -2.677  14.331   2.765
  177   HG22  VAL  22          HG22      VAL  22  -2.793  15.268   4.256
  178   HG23  VAL  22          HG23      VAL  22  -2.700  13.509   4.326
  179    H    TYR  23           HN       TYR  23   1.120  13.065   1.380
  180    HA   TYR  23           HA       TYR  23   3.764  13.239   2.676
  181    HB2  TYR  23           HB2      TYR  23   2.937  12.222  -0.019
  182    HB3  TYR  23           HB1      TYR  23   4.607  12.435   0.502
  183    HD1  TYR  23           HD1      TYR  23   1.401  10.855   1.621
  184    HD2  TYR  23           HD2      TYR  23   5.680  10.732   1.640
  185    HE1  TYR  23           HE1      TYR  23   1.326   8.680   2.802
  186    HE2  TYR  23           HE2      TYR  23   5.630   8.551   2.817
  187    HH   TYR  23           HH       TYR  23   3.070   6.593   2.946
  188    H    ALA  24           HN       ALA  24   5.333  14.611   1.840
  189    HA   ALA  24           HA       ALA  24   4.302  16.905   0.246
  190    HB1  ALA  24           HB1      ALA  24   4.946  17.311   2.744
  191    HB2  ALA  24           HB2      ALA  24   5.588  18.410   1.524
  192    HB3  ALA  24           HB3      ALA  24   6.606  17.132   2.181
  193    H    ASN  25           HN       ASN  25   5.548  17.573  -1.475
  194    HA   ASN  25           HA       ASN  25   7.989  15.970  -2.034
  195    HB2  ASN  25           HB2      ASN  25   5.924  17.087  -3.940
  196    HB3  ASN  25           HB1      ASN  25   7.409  16.274  -4.426
  197   HD21  ASN  25          HD21      ASN  25   4.250  15.616  -4.311
  198   HD22  ASN  25          HD22      ASN  25   4.272  13.991  -3.824
  199    H    GLU  26           HN       GLU  26   9.794  17.083  -2.211
  200    HA   GLU  26           HA       GLU  26   9.722  19.884  -3.184
  201    HB2  GLU  26           HB2      GLU  26  11.225  18.914  -0.745
  202    HB3  GLU  26           HB1      GLU  26  11.451  20.486  -1.493
  203    HG2  GLU  26           HG2      GLU  26   8.791  19.465  -0.471
  204    HG3  GLU  26           HG1      GLU  26   9.863  20.517   0.454
  205    H    ARG  27           HN       ARG  27  11.235  20.339  -4.654
  206    HA   ARG  27           HA       ARG  27  13.520  18.478  -4.984
  207    HB2  ARG  27           HB2      ARG  27  11.687  17.968  -6.625
  208    HB3  ARG  27           HB1      ARG  27  11.862  19.606  -7.258
  209    HG2  ARG  27           HG2      ARG  27  14.276  19.125  -7.713
  210    HG3  ARG  27           HG1      ARG  27  14.010  17.463  -7.189
  211    HD2  ARG  27           HD2      ARG  27  13.831  17.465  -9.578
  212    HD3  ARG  27           HD1      ARG  27  12.192  17.316  -8.949
  213    HE   ARG  27           HE       ARG  27  11.718  19.458  -9.756
  214   HH11  ARG  27          HH21      ARG  27  15.096  18.726  -9.915
  215   HH12  ARG  27          HH22      ARG  27  15.492  20.099 -10.895
  216   HH21  ARG  27          HH11      ARG  27  12.230  21.264 -11.047
  217   HH22  ARG  27          HH12      ARG  27  13.869  21.534 -11.537
  218    H    GLU  28           HN       GLU  28  15.366  19.612  -4.841
  219    HA   GLU  28           HA       GLU  28  15.657  22.076  -6.327
  220    HB2  GLU  28           HB2      GLU  28  14.620  22.857  -4.199
  221    HB3  GLU  28           HB1      GLU  28  15.952  22.118  -3.311
  222    HG2  GLU  28           HG2      GLU  28  17.562  23.557  -4.471
  223    HG3  GLU  28           HG1      GLU  28  16.266  24.262  -5.434
  224    H    GLY  29           HN       GLY  29  17.720  22.233  -7.010
  225    HA2  GLY  29           HA2      GLY  29  20.060  21.936  -5.818
  226    HA3  GLY  29           HA1      GLY  29  19.632  20.248  -6.018
  227    HA   PRO  30           HA       PRO  30  21.463  22.600  -9.967
  228    HB2  PRO  30           HB2      PRO  30  23.791  20.850  -9.266
  229    HB3  PRO  30           HB1      PRO  30  23.780  22.470  -9.985
  230    HG2  PRO  30           HG2      PRO  30  24.346  21.997  -7.368
  231    HG3  PRO  30           HG1      PRO  30  23.648  23.512  -7.962
  232    HD2  PRO  30           HD2      PRO  30  22.366  21.420  -6.322
  233    HD3  PRO  30           HD1      PRO  30  21.835  23.085  -6.645
  234    HA   PRO  31           HA       PRO  31  20.362  19.162 -12.570
  235    HB2  PRO  31           HB2      PRO  31  22.991  19.416 -13.987
  236    HB3  PRO  31           HB1      PRO  31  21.346  19.426 -14.653
  237    HG2  PRO  31           HG2      PRO  31  22.763  21.668 -14.439
  238    HG3  PRO  31           HG1      PRO  31  21.014  21.653 -14.147
  239    HD2  PRO  31           HD2      PRO  31  23.251  21.823 -12.163
  240    HD3  PRO  31           HD1      PRO  31  21.632  22.550 -12.117
  241    H    HIS  32           HN       HIS  32  23.876  19.015 -11.905
  242    HA   HIS  32           HA       HIS  32  23.798  16.098 -11.771
  243    HB2  HIS  32           HB2      HIS  32  26.214  16.240 -11.570
  244    HB3  HIS  32           HB1      HIS  32  25.679  17.279 -12.891
  245    HD2  HIS  32           HD2      HIS  32  27.659  17.572  -9.613
  246    HE1  HIS  32           HE1      HIS  32  26.717  21.515 -10.792
  247    HE2  HIS  32           HE2      HIS  32  28.107  20.111  -9.197
  248    H    ALA  33           HN       ALA  33  22.862  18.362  -9.709
  249    HA   ALA  33           HA       ALA  33  23.585  16.720  -7.365
  250    HB1  ALA  33           HB1      ALA  33  23.661  19.728  -7.225
  251    HB2  ALA  33           HB2      ALA  33  25.096  18.778  -7.595
  252    HB3  ALA  33           HB3      ALA  33  24.268  18.561  -6.054
  253    HA   PRO  34           HA       PRO  34  19.136  18.109  -7.430
  254    HB2  PRO  34           HB2      PRO  34  17.912  15.778  -8.083
  255    HB3  PRO  34           HB1      PRO  34  18.559  16.876  -9.317
  256    HG2  PRO  34           HG2      PRO  34  19.692  14.324  -8.271
  257    HG3  PRO  34           HG1      PRO  34  19.729  14.988  -9.916
  258    HD2  PRO  34           HD2      PRO  34  21.850  15.140  -8.078
  259    HD3  PRO  34           HD1      PRO  34  21.665  16.166  -9.516
  260    H    ARG  35           HN       ARG  35  17.840  17.931  -5.612
  261    HA   ARG  35           HA       ARG  35  18.369  15.681  -3.756
  262    HB2  ARG  35           HB2      ARG  35  18.168  18.612  -3.047
  263    HB3  ARG  35           HB1      ARG  35  18.182  17.296  -1.877
  264    HG2  ARG  35           HG2      ARG  35  20.383  16.577  -2.665
  265    HG3  ARG  35           HG1      ARG  35  20.372  17.838  -3.899
  266    HD2  ARG  35           HD2      ARG  35  20.169  18.386  -0.930
  267    HD3  ARG  35           HD1      ARG  35  21.679  18.439  -1.834
  268    HE   ARG  35           HE       ARG  35  19.833  20.086  -3.158
  269   HH11  ARG  35          HH21      ARG  35  21.514  19.854  -0.143
  270   HH12  ARG  35          HH22      ARG  35  21.573  21.567   0.114
  271   HH21  ARG  35          HH11      ARG  35  19.905  22.331  -2.828
  272   HH22  ARG  35          HH12      ARG  35  20.661  22.969  -1.406
  273    H    PHE  36           HN       PHE  36  16.549  14.690  -3.055
  274    HA   PHE  36           HA       PHE  36  13.973  16.109  -3.565
  275    HB2  PHE  36           HB2      PHE  36  14.583  13.155  -3.397
  276    HB3  PHE  36           HB1      PHE  36  12.996  13.868  -3.684
  277    HD1  PHE  36           HD2      PHE  36  12.533  15.113  -5.694
  278    HD2  PHE  36           HD1      PHE  36  16.272  13.130  -5.113
  279    HE1  PHE  36           HE2      PHE  36  12.985  15.283  -8.125
  280    HE2  PHE  36           HE1      PHE  36  16.761  13.332  -7.513
  281    HZ   PHE  36           HZ       PHE  36  15.117  14.391  -9.051
  282    H    ARG  37           HN       ARG  37  13.511  17.040  -1.612
  283    HA   ARG  37           HA       ARG  37  13.755  15.383   0.818
  284    HB2  ARG  37           HB2      ARG  37  13.139  18.331   0.415
  285    HB3  ARG  37           HB1      ARG  37  13.210  17.540   1.985
  286    HG2  ARG  37           HG2      ARG  37  15.557  16.942   1.595
  287    HG3  ARG  37           HG1      ARG  37  15.491  17.671  -0.009
  288    HD2  ARG  37           HD2      ARG  37  14.968  19.868   1.026
  289    HD3  ARG  37           HD1      ARG  37  15.083  19.133   2.623
  290    HE   ARG  37           HE       ARG  37  17.467  18.625   1.183
  291   HH11  ARG  37          HH21      ARG  37  15.686  21.186   2.678
  292   HH12  ARG  37          HH22      ARG  37  17.092  22.127   3.054
  293   HH21  ARG  37          HH11      ARG  37  19.311  19.848   1.676
  294   HH22  ARG  37          HH12      ARG  37  19.145  21.369   2.488
  295    H    CYS  38           HN       CYS  38  12.036  14.071   1.026
  296    HA   CYS  38           HA       CYS  38   9.324  15.205   0.601
  297    HB2  CYS  38           HB2      CYS  38   9.915  13.252  -0.806
  298    HB3  CYS  38           HB1      CYS  38  10.155  12.301   0.663
  299    HG   CYS  38           HG       CYS  38   7.599  12.672   1.219
  300    H    ASN  39           HN       ASN  39   8.143  15.571   2.326
  301    HA   ASN  39           HA       ASN  39   8.865  14.246   4.884
  302    HB2  ASN  39           HB2      ASN  39   7.468  16.866   4.312
  303    HB3  ASN  39           HB1      ASN  39   7.538  16.133   5.911
  304   HD21  ASN  39          HD21      ASN  39   8.776  18.663   5.356
  305   HD22  ASN  39          HD22      ASN  39  10.457  18.461   5.487
  306    H    VAL  40           HN       VAL  40   7.202  13.428   6.212
  307    HA   VAL  40           HA       VAL  40   4.647  12.874   4.800
  308    HB   VAL  40           HB       VAL  40   5.934  10.836   4.926
  309   HG11  VAL  40          HG11      VAL  40   6.060  11.090   7.932
  310   HG12  VAL  40          HG12      VAL  40   7.340  11.742   6.913
  311   HG13  VAL  40          HG13      VAL  40   6.978  10.024   6.877
  312   HG21  VAL  40          HG21      VAL  40   3.443  10.858   5.534
  313   HG22  VAL  40          HG22      VAL  40   3.958  10.720   7.215
  314   HG23  VAL  40          HG23      VAL  40   4.361   9.448   6.062
  315    H    THR  41           HN       THR  41   2.988  13.793   5.733
  316    HA   THR  41           HA       THR  41   3.149  14.598   8.571
  317    HB   THR  41           HB       THR  41   1.078  15.267   6.467
  318    HG1  THR  41           HG1      THR  41   3.521  16.120   6.775
  319   HG21  THR  41          HG21      THR  41   0.077  15.439   8.637
  320   HG22  THR  41          HG22      THR  41   0.529  17.078   8.170
  321   HG23  THR  41          HG23      THR  41   1.526  16.181   9.316
  322    H    PHE  42           HN       PHE  42   2.275  13.346  10.092
  323    HA   PHE  42           HA       PHE  42  -0.191  11.849   9.486
  324    HB2  PHE  42           HB2      PHE  42   2.073  10.467   9.268
  325    HB3  PHE  42           HB1      PHE  42   1.988  10.433  11.026
  326    HD1  PHE  42           HD1      PHE  42  -0.284  10.036   8.109
  327    HD2  PHE  42           HD2      PHE  42   0.852   8.572  11.967
  328    HE1  PHE  42           HE1      PHE  42  -2.003   8.268   7.925
  329    HE2  PHE  42           HE2      PHE  42  -0.865   6.775  11.780
  330    HZ   PHE  42           HZ       PHE  42  -2.290   6.636   9.767
  331    H    CYS  43           HN       CYS  43  -1.581  11.723  11.195
  332    HA   CYS  43           HA       CYS  43  -2.544  12.465  13.148
  333    HB2  CYS  43           HB2      CYS  43   0.010  11.584  14.477
  334    HB3  CYS  43           HB1      CYS  43  -1.649  11.437  15.061
  335    HG   CYS  43           HG       CYS  43  -0.461   9.194  13.835
  336    H    GLY  44           HN       GLY  44  -0.973  14.457  11.709
  337    HA2  GLY  44           HA2      GLY  44  -0.507  16.700  12.064
  338    HA3  GLY  44           HA1      GLY  44  -0.871  16.461  13.770
  339    H    GLN  45           HN       GLN  45   1.489  14.549  12.002
  340    HA   GLN  45           HA       GLN  45   3.712  15.988  13.315
  341    HB2  GLN  45           HB2      GLN  45   3.224  13.010  13.373
  342    HB3  GLN  45           HB1      GLN  45   4.726  13.796  13.874
  343    HG2  GLN  45           HG2      GLN  45   3.531  15.065  15.583
  344    HG3  GLN  45           HG1      GLN  45   1.998  14.369  15.058
  345   HE21  GLN  45          HE21      GLN  45   2.202  13.742  17.560
  346   HE22  GLN  45          HE22      GLN  45   2.889  12.219  17.857
  347    H    THR  46           HN       THR  46   5.280  16.449  11.915
  348    HA   THR  46           HA       THR  46   5.323  15.032   9.324
  349    HB   THR  46           HB       THR  46   6.457  16.977   8.443
  350    HG1  THR  46           HG1      THR  46   6.248  18.133  11.009
  351   HG21  THR  46          HG21      THR  46   4.693  18.601   8.675
  352   HG22  THR  46          HG22      THR  46   4.201  17.920  10.226
  353   HG23  THR  46          HG23      THR  46   3.951  17.003   8.740
  354    H    PHE  47           HN       PHE  47   6.680  13.357   9.421
  355    HA   PHE  47           HA       PHE  47   9.194  13.553  10.911
  356    HB2  PHE  47           HB2      PHE  47   7.776  11.293   9.503
  357    HB3  PHE  47           HB1      PHE  47   9.423  11.133  10.114
  358    HD1  PHE  47           HD1      PHE  47   5.953  12.018  11.107
  359    HD2  PHE  47           HD2      PHE  47   9.833  10.740  12.419
  360    HE1  PHE  47           HE1      PHE  47   5.045  11.585  13.375
  361    HE2  PHE  47           HE2      PHE  47   8.933  10.324  14.692
  362    HZ   PHE  47           HZ       PHE  47   6.536  10.744  15.171
  363    H    GLN  48           HN       GLN  48  11.198  13.562  10.000
  364    HA   GLN  48           HA       GLN  48  11.514  13.285   7.109
  365    HB2  GLN  48           HB2      GLN  48  10.944  15.693   7.489
  366    HB3  GLN  48           HB1      GLN  48  12.366  15.823   8.525
  367    HG2  GLN  48           HG2      GLN  48  13.830  15.217   6.685
  368    HG3  GLN  48           HG1      GLN  48  12.444  14.903   5.640
  369   HE21  GLN  48          HE21      GLN  48  12.595  16.572   4.101
  370   HE22  GLN  48          HE22      GLN  48  12.657  18.221   4.493
  371    H    SER  49           HN       SER  49  13.663  12.916   6.479
  372    HA   SER  49           HA       SER  49  15.375  11.902   8.629
  373    HB2  SER  49           HB2      SER  49  15.032  10.427   6.741
  374    HB3  SER  49           HB1      SER  49  15.542  11.683   5.616
  375    HG   SER  49           HG       SER  49  17.590  11.466   6.284
  376    H    SER  50           HN       SER  50  17.732  12.320   8.486
  377    HA   SER  50           HA       SER  50  18.210  15.185   8.135
  378    HB2  SER  50           HB2      SER  50  20.172  13.123   9.134
  379    HB3  SER  50           HB1      SER  50  20.177  14.859   9.422
  380    HG   SER  50           HG       SER  50  17.948  13.333  10.178
  381    H    GLU  51           HN       GLU  51  18.479  12.416   6.283
  382    HA   GLU  51           HA       GLU  51  20.650  13.573   4.622
  383    HB2  GLU  51           HB2      GLU  51  19.854  10.681   5.033
  384    HB3  GLU  51           HB1      GLU  51  20.988  11.229   3.796
  385    HG2  GLU  51           HG2      GLU  51  22.449  12.182   5.515
  386    HG3  GLU  51           HG1      GLU  51  21.301  11.717   6.772
  387    H    PHE  52           HN       PHE  52  20.258  13.948   2.571
  388    HA   PHE  52           HA       PHE  52  17.497  13.709   1.624
  389    HB2  PHE  52           HB2      PHE  52  19.493  14.900  -0.221
  390    HB3  PHE  52           HB1      PHE  52  17.930  15.529   0.304
  391    HD1  PHE  52           HD1      PHE  52  21.373  14.926   1.297
  392    HD2  PHE  52           HD2      PHE  52  17.817  17.132   2.066
  393    HE1  PHE  52           HE1      PHE  52  22.645  16.377   2.884
  394    HE2  PHE  52           HE2      PHE  52  19.040  18.602   3.659
  395    HZ   PHE  52           HZ       PHE  52  21.465  18.224   4.069
  396    H    PHE  53           HN       PHE  53  16.883  12.629  -0.120
  397    HA   PHE  53           HA       PHE  53  18.647  10.460  -0.983
  398    HB2  PHE  53           HB2      PHE  53  15.819  10.529  -1.933
  399    HB3  PHE  53           HB1      PHE  53  16.792   9.167  -1.376
  400    HD1  PHE  53           HD1      PHE  53  14.973  12.192  -0.253
  401    HD2  PHE  53           HD2      PHE  53  16.764   8.483   0.877
  402    HE1  PHE  53           HE1      PHE  53  13.952  12.403   1.982
  403    HE2  PHE  53           HE2      PHE  53  15.773   8.707   3.114
  404    HZ   PHE  53           HZ       PHE  53  14.354  10.647   3.679
  405    HA   PRO  54           HA       PRO  54  19.175  12.304  -5.011
  406    HB2  PRO  54           HB2      PRO  54  20.103  10.200  -6.429
  407    HB3  PRO  54           HB1      PRO  54  21.043  10.915  -5.103
  408    HG2  PRO  54           HG2      PRO  54  19.381   8.437  -5.117
  409    HG3  PRO  54           HG1      PRO  54  20.963   8.729  -4.370
  410    HD2  PRO  54           HD2      PRO  54  18.548   8.812  -2.981
  411    HD3  PRO  54           HD1      PRO  54  20.038   9.640  -2.469
  412    H    THR  55           HN       THR  55  16.744  10.107  -4.315
  413    HA   THR  55           HA       THR  55  15.473  10.498  -6.967
  414    HB   THR  55           HB       THR  55  14.395   8.128  -6.223
  415    HG1  THR  55           HG1      THR  55  15.953   6.890  -5.219
  416   HG21  THR  55          HG21      THR  55  15.448   8.408  -8.368
  417   HG22  THR  55          HG22      THR  55  16.205   7.018  -7.591
  418   HG23  THR  55          HG23      THR  55  17.042   8.569  -7.626
  419    H    LEU  56           HN       LEU  56  13.216  10.580  -6.976
  420    HA   LEU  56           HA       LEU  56  12.135  12.031  -4.787
  421    HB2  LEU  56           HB2      LEU  56  11.538  11.959  -7.382
  422    HB3  LEU  56           HB1      LEU  56  10.307  10.830  -6.813
  423    HG   LEU  56           HG       LEU  56  10.775  13.637  -5.777
  424   HD11  LEU  56          HD11      LEU  56   9.722  13.691  -7.894
  425   HD12  LEU  56          HD12      LEU  56   8.458  13.933  -6.692
  426   HD13  LEU  56          HD13      LEU  56   8.647  12.362  -7.471
  427   HD21  LEU  56          HD21      LEU  56   8.564  13.112  -4.564
  428   HD22  LEU  56          HD22      LEU  56  10.011  12.352  -3.911
  429   HD23  LEU  56          HD23      LEU  56   8.901  11.418  -4.915
  430    H    LYS  57           HN       LYS  57  10.860   8.945  -6.198
  431    HA   LYS  57           HA       LYS  57   9.157   8.317  -4.138
  432    HB2  LYS  57           HB2      LYS  57  10.769   6.530  -5.975
  433    HB3  LYS  57           HB1      LYS  57   9.437   5.963  -4.973
  434    HG2  LYS  57           HG2      LYS  57   7.890   7.484  -6.122
  435    HG3  LYS  57           HG1      LYS  57   9.217   8.134  -7.084
  436    HD2  LYS  57           HD2      LYS  57   9.616   5.857  -8.022
  437    HD3  LYS  57           HD1      LYS  57   8.223   5.264  -7.115
  438    HE2  LYS  57           HE2      LYS  57   8.090   7.522  -9.135
  439    HE3  LYS  57           HE1      LYS  57   7.695   5.844  -9.506
  440    HZ1  LYS  57           HZ1      LYS  57   5.963   7.687  -8.546
  441    HZ2  LYS  57           HZ2      LYS  57   6.395   6.832  -7.143
  442    HZ3  LYS  57           HZ3      LYS  57   5.741   6.008  -8.478
  443    H    SER  58           HN       SER  58  12.623   7.707  -4.426
  444    HA   SER  58           HA       SER  58  12.957   5.891  -2.339
  445    HB2  SER  58           HB2      SER  58  14.740   8.113  -3.331
  446    HB3  SER  58           HB1      SER  58  15.256   6.904  -2.158
  447    HG   SER  58           HG       SER  58  14.969   5.324  -3.674
  448    H    ALA  59           HN       ALA  59  12.527   9.387  -2.297
  449    HA   ALA  59           HA       ALA  59  13.163   9.740   0.468
  450    HB1  ALA  59           HB1      ALA  59  11.370  11.519  -1.162
  451    HB2  ALA  59           HB2      ALA  59  13.111  11.508  -1.381
  452    HB3  ALA  59           HB3      ALA  59  12.425  11.966   0.180
  453    H    GLU  60           HN       GLU  60  10.163   9.228  -1.336
  454    HA   GLU  60           HA       GLU  60   8.340   9.597   0.803
  455    HB2  GLU  60           HB2      GLU  60   8.179   7.951  -1.730
  456    HB3  GLU  60           HB1      GLU  60   6.823   8.177  -0.624
  457    HG2  GLU  60           HG2      GLU  60   6.927  10.594  -0.932
  458    HG3  GLU  60           HG1      GLU  60   8.352  10.432  -1.956
  459    H    HIS  61           HN       HIS  61  10.065   6.737  -0.416
  460    HA   HIS  61           HA       HIS  61   8.813   4.827   1.250
  461    HB2  HIS  61           HB2      HIS  61  11.611   4.805   0.097
  462    HB3  HIS  61           HB1      HIS  61  10.732   3.405   0.711
  463    HD2  HIS  61           HD2      HIS  61   7.834   4.544  -0.862
  464    HE1  HIS  61           HE1      HIS  61  10.096   3.550  -4.284
  465    HE2  HIS  61           HE2      HIS  61   7.759   4.052  -3.425
  466    H    ALA  62           HN       ALA  62  11.883   6.601   1.629
  467    HA   ALA  62           HA       ALA  62  12.504   5.516   4.183
  468    HB1  ALA  62           HB1      ALA  62  14.304   7.025   4.224
  469    HB2  ALA  62           HB2      ALA  62  13.461   8.201   3.215
  470    HB3  ALA  62           HB3      ALA  62  14.065   6.703   2.507
  471    H    ALA  63           HN       ALA  63  10.716   8.355   3.124
  472    HA   ALA  63           HA       ALA  63  10.568   9.762   5.538
  473    HB1  ALA  63           HB1      ALA  63   9.806  10.740   3.453
  474    HB2  ALA  63           HB2      ALA  63   8.466  10.719   4.598
  475    HB3  ALA  63           HB3      ALA  63   8.540   9.521   3.306
  476    H    ALA  64           HN       ALA  64   8.356   7.291   4.228
  477    HA   ALA  64           HA       ALA  64   6.641   7.297   6.495
  478    HB1  ALA  64           HB1      ALA  64   7.044   5.404   4.196
  479    HB2  ALA  64           HB2      ALA  64   5.676   6.463   4.525
  480    HB3  ALA  64           HB3      ALA  64   5.930   5.024   5.511
  481    H    LYS  65           HN       LYS  65   9.559   5.479   5.669
  482    HA   LYS  65           HA       LYS  65   9.410   3.382   7.484
  483    HB2  LYS  65           HB2      LYS  65  11.155   3.669   5.739
  484    HB3  LYS  65           HB1      LYS  65  11.884   4.937   6.723
  485    HG2  LYS  65           HG2      LYS  65  12.245   3.355   8.554
  486    HG3  LYS  65           HG1      LYS  65  11.444   2.081   7.635
  487    HD2  LYS  65           HD2      LYS  65  13.176   2.274   5.876
  488    HD3  LYS  65           HD1      LYS  65  13.988   3.518   6.826
  489    HE2  LYS  65           HE2      LYS  65  13.432   0.717   7.836
  490    HE3  LYS  65           HE1      LYS  65  14.969   1.223   7.131
  491    HZ1  LYS  65           HZ1      LYS  65  13.675   2.393   9.537
  492    HZ2  LYS  65           HZ2      LYS  65  15.124   2.942   8.839
  493    HZ3  LYS  65           HZ3      LYS  65  15.044   1.391   9.525
  494    H    ILE  66           HN       ILE  66  10.683   6.674   8.033
  495    HA   ILE  66           HA       ILE  66  11.342   6.137  10.762
  496    HB   ILE  66           HB       ILE  66  11.565   8.642  10.868
  497   HG12  ILE  66          HG12      ILE  66  10.984   8.446   7.905
  498   HG13  ILE  66          HG11      ILE  66   9.840   9.076   9.089
  499   HG21  ILE  66          HG21      ILE  66  13.435   7.120  10.264
  500   HG22  ILE  66          HG22      ILE  66  13.552   8.676   9.443
  501   HG23  ILE  66          HG23      ILE  66  12.969   7.261   8.568
  502   HD11  ILE  66          HD11      ILE  66  10.929  10.998   8.240
  503   HD12  ILE  66          HD12      ILE  66  12.509  10.215   8.260
  504   HD13  ILE  66          HD13      ILE  66  11.738  10.690   9.775
  505    H    ALA  67           HN       ALA  67   8.552   7.431   9.064
  506    HA   ALA  67           HA       ALA  67   7.196   8.454  11.352
  507    HB1  ALA  67           HB1      ALA  67   6.699   9.102   9.003
  508    HB2  ALA  67           HB2      ALA  67   5.267   8.617   9.909
  509    HB3  ALA  67           HB3      ALA  67   5.993   7.506   8.749
  510    H    VAL  68           HN       VAL  68   6.776   5.438   9.515
  511    HA   VAL  68           HA       VAL  68   4.740   4.357  11.141
  512    HB   VAL  68           HB       VAL  68   5.329   3.562   8.832
  513   HG11  VAL  68          HG11      VAL  68   7.821   3.532   9.311
  514   HG12  VAL  68          HG12      VAL  68   7.200   2.100   8.501
  515   HG13  VAL  68          HG13      VAL  68   7.552   2.054  10.228
  516   HG21  VAL  68          HG21      VAL  68   3.923   2.233  10.389
  517   HG22  VAL  68          HG22      VAL  68   5.375   1.444  11.004
  518   HG23  VAL  68          HG23      VAL  68   4.883   1.200   9.328
  519    H    ALA  69           HN       ALA  69   8.244   4.344  11.372
  520    HA   ALA  69           HA       ALA  69   8.435   2.304  13.353
  521    HB1  ALA  69           HB1      ALA  69  10.721   3.273  13.719
  522    HB2  ALA  69           HB2      ALA  69  10.312   4.543  12.566
  523    HB3  ALA  69           HB3      ALA  69  10.378   2.861  12.039
  524    H    SER  70           HN       SER  70   7.817   5.740  13.424
  525    HA   SER  70           HA       SER  70   8.382   6.174  16.180
  526    HB2  SER  70           HB2      SER  70   6.445   7.699  14.430
  527    HB3  SER  70           HB1      SER  70   7.219   8.273  15.904
  528    HG   SER  70           HG       SER  70   8.122   8.498  13.475
  529    H    LEU  71           HN       LEU  71   5.452   5.348  14.402
  530    HA   LEU  71           HA       LEU  71   3.677   5.450  16.622
  531    HB2  LEU  71           HB2      LEU  71   3.367   3.782  14.118
  532    HB3  LEU  71           HB1      LEU  71   2.086   4.337  15.198
  533    HG   LEU  71           HG       LEU  71   3.908   6.132  13.567
  534   HD11  LEU  71          HD11      LEU  71   0.938   5.655  13.233
  535   HD12  LEU  71          HD12      LEU  71   2.158   4.775  12.315
  536   HD13  LEU  71          HD13      LEU  71   2.019   6.525  12.146
  537   HD21  LEU  71          HD21      LEU  71   3.311   7.408  15.455
  538   HD22  LEU  71          HD22      LEU  71   1.721   6.654  15.584
  539   HD23  LEU  71          HD23      LEU  71   2.045   7.821  14.302
  540    H    THR  72           HN       THR  72   5.815   3.005  15.361
  541    HA   THR  72           HA       THR  72   5.315   1.345  17.725
  542    HB   THR  72           HB       THR  72   5.076  -0.697  16.328
  543    HG1  THR  72           HG1      THR  72   6.037   0.472  14.458
  544   HG21  THR  72          HG21      THR  72   2.756  -0.362  15.813
  545   HG22  THR  72          HG22      THR  72   2.988   1.375  15.626
  546   HG23  THR  72          HG23      THR  72   3.112   0.637  17.222
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  14.454   0.270  -1.826
    2    H2   MET   1           HT2      MET   1  15.973  -0.484  -1.929
    3    H3   MET   1           HT3      MET   1  15.388   0.052  -0.427
    4    HA   MET   1           HA       MET   1  15.002  -2.440  -1.696
    5    HB2  MET   1           HB2      MET   1  14.176  -1.224   0.954
    6    HB3  MET   1           HB1      MET   1  13.967  -2.930   0.554
    7    HG2  MET   1           HG2      MET   1  16.389  -3.151   0.176
    8    HG3  MET   1           HG1      MET   1  16.609  -1.441   0.548
    9    HE1  MET   1           HE1      MET   1  18.174  -3.334   3.555
   10    HE2  MET   1           HE2      MET   1  18.439  -2.574   1.987
   11    HE3  MET   1           HE3      MET   1  17.893  -4.248   2.067
   12    H    ASP   2           HN       ASP   2  12.668  -3.425  -0.757
   13    HA   ASP   2           HA       ASP   2  10.776  -2.574  -2.689
   14    HB2  ASP   2           HB2      ASP   2  10.866  -4.874  -1.776
   15    HB3  ASP   2           HB1      ASP   2  10.327  -4.258  -0.213
   16    H    HIS   3           HN       HIS   3   9.049  -1.225  -2.561
   17    HA   HIS   3           HA       HIS   3   8.956   0.620  -0.323
   18    HB2  HIS   3           HB2      HIS   3   7.172   0.485  -2.763
   19    HB3  HIS   3           HB1      HIS   3   7.363   1.850  -1.664
   20    HD2  HIS   3           HD2      HIS   3  10.840   1.221  -1.734
   21    HE1  HIS   3           HE1      HIS   3  10.307   2.777  -5.622
   22    HE2  HIS   3           HE2      HIS   3  12.021   2.240  -3.827
   23    H    VAL   4           HN       VAL   4   8.317  -1.130   1.224
   24    HA   VAL   4           HA       VAL   4   5.515  -1.971   1.031
   25    HB   VAL   4           HB       VAL   4   6.123  -3.326   3.039
   26   HG11  VAL   4          HG11      VAL   4   6.270  -4.153   0.660
   27   HG12  VAL   4          HG12      VAL   4   7.354  -4.977   1.780
   28   HG13  VAL   4          HG13      VAL   4   7.985  -3.743   0.690
   29   HG21  VAL   4          HG21      VAL   4   8.390  -3.470   3.775
   30   HG22  VAL   4          HG22      VAL   4   8.037  -1.744   3.689
   31   HG23  VAL   4          HG23      VAL   4   8.969  -2.524   2.407
   32    H    TYR   5           HN       TYR   5   7.476   0.429   2.512
   33    HA   TYR   5           HA       TYR   5   6.241   0.821   4.970
   34    HB2  TYR   5           HB2      TYR   5   7.138   3.076   3.182
   35    HB3  TYR   5           HB1      TYR   5   7.202   2.975   4.943
   36    HD1  TYR   5           HD1      TYR   5   8.696   1.731   1.790
   37    HD2  TYR   5           HD2      TYR   5   8.960   1.820   6.060
   38    HE1  TYR   5           HE1      TYR   5  10.981   0.768   1.668
   39    HE2  TYR   5           HE2      TYR   5  11.231   0.855   5.954
   40    HH   TYR   5           HH       TYR   5  13.159   0.927   3.825
   41    H    LYS   6           HN       LYS   6   5.374   2.154   1.779
   42    HA   LYS   6           HA       LYS   6   3.224   3.745   2.648
   43    HB2  LYS   6           HB2      LYS   6   3.791   2.393   0.006
   44    HB3  LYS   6           HB1      LYS   6   2.422   3.475   0.252
   45    HG2  LYS   6           HG2      LYS   6   3.965   5.271   0.954
   46    HG3  LYS   6           HG1      LYS   6   5.335   4.187   0.699
   47    HD2  LYS   6           HD2      LYS   6   4.717   3.971  -1.687
   48    HD3  LYS   6           HD1      LYS   6   3.364   5.074  -1.430
   49    HE2  LYS   6           HE2      LYS   6   6.238   5.814  -0.835
   50    HE3  LYS   6           HE1      LYS   6   5.450   6.161  -2.374
   51    HZ1  LYS   6           HZ1      LYS   6   4.904   7.276   0.289
   52    HZ2  LYS   6           HZ2      LYS   6   3.639   7.182  -0.840
   53    HZ3  LYS   6           HZ3      LYS   6   5.041   8.072  -1.203
   54    H    GLY   7           HN       GLY   7   3.355   0.361   1.595
   55    HA2  GLY   7           HA2      GLY   7   0.564  -0.128   1.679
   56    HA3  GLY   7           HA1      GLY   7   1.826  -1.354   1.740
   57    H    GLN   8           HN       GLN   8   3.100  -0.233   4.122
   58    HA   GLN   8           HA       GLN   8   1.457  -1.539   6.101
   59    HB2  GLN   8           HB2      GLN   8   4.129  -0.137   6.252
   60    HB3  GLN   8           HB1      GLN   8   3.351  -0.909   7.635
   61    HG2  GLN   8           HG2      GLN   8   3.335  -3.058   6.479
   62    HG3  GLN   8           HG1      GLN   8   4.006  -2.314   5.030
   63   HE21  GLN   8          HE21      GLN   8   4.922  -4.144   7.638
   64   HE22  GLN   8          HE22      GLN   8   6.542  -3.654   7.770
   65    H    LEU   9           HN       LEU   9   2.694   1.747   5.643
   66    HA   LEU   9           HA       LEU   9   1.425   2.893   7.879
   67    HB2  LEU   9           HB2      LEU   9   3.297   3.943   6.554
   68    HB3  LEU   9           HB1      LEU   9   2.115   4.298   5.296
   69    HG   LEU   9           HG       LEU   9   0.750   5.528   7.023
   70   HD11  LEU   9          HD11      LEU   9   3.105   4.743   8.722
   71   HD12  LEU   9          HD12      LEU   9   1.394   4.819   9.143
   72   HD13  LEU   9          HD13      LEU   9   2.335   6.302   9.018
   73   HD21  LEU   9          HD21      LEU   9   2.397   7.485   7.141
   74   HD22  LEU   9          HD22      LEU   9   2.051   6.855   5.530
   75   HD23  LEU   9          HD23      LEU   9   3.558   6.424   6.341
   76    H    GLN  10           HN       GLN  10   0.409   2.553   4.534
   77    HA   GLN  10           HA       GLN  10  -1.936   4.050   4.810
   78    HB2  GLN  10           HB2      GLN  10  -1.013   3.426   2.616
   79    HB3  GLN  10           HB1      GLN  10  -1.368   1.732   2.946
   80    HG2  GLN  10           HG2      GLN  10  -3.756   2.193   3.018
   81    HG3  GLN  10           HG1      GLN  10  -3.463   3.923   2.843
   82   HE21  GLN  10          HE21      GLN  10  -1.810   4.256   0.770
   83   HE22  GLN  10          HE22      GLN  10  -2.362   3.484  -0.637
   84    H    ALA  11           HN       ALA  11  -1.287   0.614   5.273
   85    HA   ALA  11           HA       ALA  11  -3.979  -0.148   5.768
   86    HB1  ALA  11           HB1      ALA  11  -1.433  -1.482   6.719
   87    HB2  ALA  11           HB2      ALA  11  -2.178  -1.743   5.142
   88    HB3  ALA  11           HB3      ALA  11  -3.029  -2.225   6.610
   89    H    TYR  12           HN       TYR  12  -1.336   0.981   7.815
   90    HA   TYR  12           HA       TYR  12  -2.465   0.384  10.321
   91    HB2  TYR  12           HB2      TYR  12  -0.130   1.046  10.090
   92    HB3  TYR  12           HB1      TYR  12  -0.615   2.642   9.517
   93    HD1  TYR  12           HD1      TYR  12  -0.610   0.360  12.437
   94    HD2  TYR  12           HD2      TYR  12  -1.377   4.347  11.037
   95    HE1  TYR  12           HE1      TYR  12  -0.771   1.150  14.781
   96    HE2  TYR  12           HE2      TYR  12  -1.539   5.138  13.383
   97    HH   TYR  12           HH       TYR  12  -1.118   4.585  15.542
   98    H    ALA  13           HN       ALA  13  -2.586   3.408   8.421
   99    HA   ALA  13           HA       ALA  13  -4.169   4.888  10.181
  100    HB1  ALA  13           HB1      ALA  13  -4.326   6.446   8.471
  101    HB2  ALA  13           HB2      ALA  13  -4.566   5.219   7.228
  102    HB3  ALA  13           HB3      ALA  13  -2.958   5.497   7.886
  103    H    LEU  14           HN       LEU  14  -5.174   2.933   7.372
  104    HA   LEU  14           HA       LEU  14  -7.937   3.340   7.710
  105    HB2  LEU  14           HB2      LEU  14  -6.942   2.467   5.628
  106    HB3  LEU  14           HB1      LEU  14  -6.509   0.978   6.464
  107    HG   LEU  14           HG       LEU  14  -8.951   0.623   6.977
  108   HD11  LEU  14          HD11      LEU  14  -9.983   2.720   6.854
  109   HD12  LEU  14          HD12      LEU  14 -10.472   1.987   5.331
  110   HD13  LEU  14          HD13      LEU  14  -9.152   3.158   5.361
  111   HD21  LEU  14          HD21      LEU  14  -9.561   0.098   4.559
  112   HD22  LEU  14          HD22      LEU  14  -8.056  -0.606   5.151
  113   HD23  LEU  14          HD23      LEU  14  -8.014   0.820   4.111
  114    H    GLN  15           HN       GLN  15  -5.784   0.773   8.865
  115    HA   GLN  15           HA       GLN  15  -7.787  -0.828  10.038
  116    HB2  GLN  15           HB2      GLN  15  -5.438  -1.557   9.550
  117    HB3  GLN  15           HB1      GLN  15  -4.904  -0.586  10.920
  118    HG2  GLN  15           HG2      GLN  15  -5.188  -2.865  11.686
  119    HG3  GLN  15           HG1      GLN  15  -6.485  -1.895  12.378
  120   HE21  GLN  15          HE21      GLN  15  -8.190  -3.417  12.468
  121   HE22  GLN  15          HE22      GLN  15  -8.775  -4.254  11.112
  122    H    HIS  16           HN       HIS  16  -5.856   1.856  11.273
  123    HA   HIS  16           HA       HIS  16  -7.094   1.648  13.922
  124    HB2  HIS  16           HB2      HIS  16  -4.914   3.402  12.779
  125    HB3  HIS  16           HB1      HIS  16  -5.576   3.628  14.399
  126    HD2  HIS  16           HD2      HIS  16  -4.484   1.933  16.309
  127    HE1  HIS  16           HE1      HIS  16  -2.547  -0.734  13.671
  128    HE2  HIS  16           HE2      HIS  16  -2.886  -0.124  16.112
  129    H    ASN  17           HN       ASN  17  -7.984   2.908  11.021
  130    HA   ASN  17           HA       ASN  17  -9.516   4.489  10.367
  131    HB2  ASN  17           HB2      ASN  17 -10.813   3.287  12.181
  132    HB3  ASN  17           HB1      ASN  17 -10.325   4.582  13.274
  133   HD21  ASN  17          HD21      ASN  17 -12.599   5.288  13.459
  134   HD22  ASN  17          HD22      ASN  17 -13.341   6.134  12.189
  135    H    LEU  18           HN       LEU  18  -7.369   5.750  10.226
  136    HA   LEU  18           HA       LEU  18  -7.640   8.243  11.815
  137    HB2  LEU  18           HB2      LEU  18  -5.076   6.892  10.949
  138    HB3  LEU  18           HB1      LEU  18  -5.185   8.449  11.767
  139    HG   LEU  18           HG       LEU  18  -6.251   5.842  12.896
  140   HD11  LEU  18          HD11      LEU  18  -3.758   5.906  12.687
  141   HD12  LEU  18          HD12      LEU  18  -4.311   5.845  14.360
  142   HD13  LEU  18          HD13      LEU  18  -3.749   7.367  13.673
  143   HD21  LEU  18          HD21      LEU  18  -7.469   7.513  13.991
  144   HD22  LEU  18          HD22      LEU  18  -6.161   8.693  13.873
  145   HD23  LEU  18          HD23      LEU  18  -6.063   7.380  15.047
  146    H    GLU  19           HN       GLU  19  -7.271  10.149  10.737
  147    HA   GLU  19           HA       GLU  19  -8.085  10.501   8.174
  148    HB2  GLU  19           HB2      GLU  19  -5.965  12.107   9.620
  149    HB3  GLU  19           HB1      GLU  19  -6.825  12.636   8.175
  150    HG2  GLU  19           HG2      GLU  19  -8.100  13.620   9.874
  151    HG3  GLU  19           HG1      GLU  19  -8.986  12.126   9.581
  152    H    LEU  20           HN       LEU  20  -7.314  10.218   6.193
  153    HA   LEU  20           HA       LEU  20  -5.296   8.492   5.614
  154    HB2  LEU  20           HB2      LEU  20  -6.507  10.727   4.002
  155    HB3  LEU  20           HB1      LEU  20  -5.202   9.746   3.330
  156    HG   LEU  20           HG       LEU  20  -6.529   7.699   3.800
  157   HD11  LEU  20          HD11      LEU  20  -8.502   9.756   4.804
  158   HD12  LEU  20          HD12      LEU  20  -7.894   8.326   5.637
  159   HD13  LEU  20          HD13      LEU  20  -9.016   8.149   4.290
  160   HD21  LEU  20          HD21      LEU  20  -6.705   8.661   1.586
  161   HD22  LEU  20          HD22      LEU  20  -7.869   9.860   2.150
  162   HD23  LEU  20          HD23      LEU  20  -8.321   8.157   2.085
  163    HA   PRO  21           HA       PRO  21  -1.537  10.731   6.390
  164    HB2  PRO  21           HB2      PRO  21   0.208   9.311   4.834
  165    HB3  PRO  21           HB1      PRO  21  -0.477   8.657   6.328
  166    HG2  PRO  21           HG2      PRO  21  -1.292   8.150   3.502
  167    HG3  PRO  21           HG1      PRO  21  -1.147   7.010   4.854
  168    HD2  PRO  21           HD2      PRO  21  -3.555   8.039   4.039
  169    HD3  PRO  21           HD1      PRO  21  -3.224   7.556   5.718
  170    H    VAL  22           HN       VAL  22  -0.102  12.219   5.449
  171    HA   VAL  22           HA       VAL  22  -0.583  12.907   2.607
  172    HB   VAL  22           HB       VAL  22  -0.456  14.789   4.980
  173   HG11  VAL  22          HG11      VAL  22   0.816  15.889   3.312
  174   HG12  VAL  22          HG12      VAL  22  -0.811  16.541   3.115
  175   HG13  VAL  22          HG13      VAL  22  -0.220  15.297   2.013
  176   HG21  VAL  22          HG21      VAL  22  -2.658  13.792   4.562
  177   HG22  VAL  22          HG22      VAL  22  -2.570  14.267   2.866
  178   HG23  VAL  22          HG23      VAL  22  -2.674  15.498   4.124
  179    H    TYR  23           HN       TYR  23   1.172  13.184   1.459
  180    HA   TYR  23           HA       TYR  23   3.813  13.226   2.775
  181    HB2  TYR  23           HB2      TYR  23   2.960  12.304   0.051
  182    HB3  TYR  23           HB1      TYR  23   4.636  12.454   0.578
  183    HD1  TYR  23           HD1      TYR  23   1.391  10.953   1.723
  184    HD2  TYR  23           HD2      TYR  23   5.651  10.656   1.602
  185    HE1  TYR  23           HE1      TYR  23   1.267   8.758   2.848
  186    HE2  TYR  23           HE2      TYR  23   5.551   8.445   2.717
  187    HH   TYR  23           HH       TYR  23   4.207   6.841   3.512
  188    H    ALA  24           HN       ALA  24   5.438  14.564   1.974
  189    HA   ALA  24           HA       ALA  24   4.484  16.944   0.466
  190    HB1  ALA  24           HB1      ALA  24   5.204  17.215   2.960
  191    HB2  ALA  24           HB2      ALA  24   5.849  18.344   1.769
  192    HB3  ALA  24           HB3      ALA  24   6.843  17.007   2.344
  193    H    ASN  25           HN       ASN  25   5.782  17.723  -1.173
  194    HA   ASN  25           HA       ASN  25   8.135  16.065  -1.902
  195    HB2  ASN  25           HB2      ASN  25   6.042  17.261  -3.727
  196    HB3  ASN  25           HB1      ASN  25   7.492  16.409  -4.255
  197   HD21  ASN  25          HD21      ASN  25   4.284  15.872  -3.962
  198   HD22  ASN  25          HD22      ASN  25   4.286  14.226  -3.546
  199    H    GLU  26           HN       GLU  26   9.939  17.178  -2.026
  200    HA   GLU  26           HA       GLU  26   9.854  20.007  -2.935
  201    HB2  GLU  26           HB2      GLU  26  11.557  19.019  -0.635
  202    HB3  GLU  26           HB1      GLU  26  11.489  20.657  -1.267
  203    HG2  GLU  26           HG2      GLU  26   9.095  20.789  -0.685
  204    HG3  GLU  26           HG1      GLU  26   9.166  19.156  -0.028
  205    H    ARG  27           HN       ARG  27  11.294  20.433  -4.504
  206    HA   ARG  27           HA       ARG  27  13.568  18.569  -4.891
  207    HB2  ARG  27           HB2      ARG  27  11.701  18.118  -6.502
  208    HB3  ARG  27           HB1      ARG  27  11.874  19.769  -7.099
  209    HG2  ARG  27           HG2      ARG  27  14.281  19.270  -7.617
  210    HG3  ARG  27           HG1      ARG  27  13.987  17.596  -7.147
  211    HD2  ARG  27           HD2      ARG  27  13.783  17.774  -9.558
  212    HD3  ARG  27           HD1      ARG  27  12.186  17.480  -8.874
  213    HE   ARG  27           HE       ARG  27  11.552  19.646  -9.490
  214   HH11  ARG  27          HH21      ARG  27  14.947  19.118  -9.919
  215   HH12  ARG  27          HH22      ARG  27  15.196  20.569 -10.829
  216   HH21  ARG  27          HH11      ARG  27  11.873  21.549 -10.681
  217   HH22  ARG  27          HH12      ARG  27  13.456  21.945 -11.262
  218    H    GLU  28           HN       GLU  28  15.432  19.655  -4.756
  219    HA   GLU  28           HA       GLU  28  15.748  22.134  -6.199
  220    HB2  GLU  28           HB2      GLU  28  14.763  22.713  -3.874
  221    HB3  GLU  28           HB1      GLU  28  16.336  22.230  -3.240
  222    HG2  GLU  28           HG2      GLU  28  15.946  24.314  -5.413
  223    HG3  GLU  28           HG1      GLU  28  16.163  24.690  -3.705
  224    H    GLY  29           HN       GLY  29  17.789  22.240  -6.945
  225    HA2  GLY  29           HA2      GLY  29  20.152  21.904  -5.832
  226    HA3  GLY  29           HA1      GLY  29  19.695  20.220  -6.010
  227    HA   PRO  30           HA       PRO  30  21.409  22.556 -10.024
  228    HB2  PRO  30           HB2      PRO  30  23.764  20.827  -9.342
  229    HB3  PRO  30           HB1      PRO  30  23.727  22.428 -10.105
  230    HG2  PRO  30           HG2      PRO  30  24.362  22.052  -7.501
  231    HG3  PRO  30           HG1      PRO  30  23.589  23.526  -8.109
  232    HD2  PRO  30           HD2      PRO  30  22.427  21.400  -6.414
  233    HD3  PRO  30           HD1      PRO  30  21.856  23.054  -6.704
  234    HA   PRO  31           HA       PRO  31  20.247  19.095 -12.548
  235    HB2  PRO  31           HB2      PRO  31  22.806  19.373 -14.079
  236    HB3  PRO  31           HB1      PRO  31  21.134  19.378 -14.671
  237    HG2  PRO  31           HG2      PRO  31  22.565  21.626 -14.504
  238    HG3  PRO  31           HG1      PRO  31  20.824  21.604 -14.171
  239    HD2  PRO  31           HD2      PRO  31  23.108  21.801 -12.251
  240    HD3  PRO  31           HD1      PRO  31  21.478  22.501 -12.157
  241    H    HIS  32           HN       HIS  32  23.782  19.018 -12.015
  242    HA   HIS  32           HA       HIS  32  23.786  16.104 -11.899
  243    HB2  HIS  32           HB2      HIS  32  26.022  18.113 -11.545
  244    HB3  HIS  32           HB1      HIS  32  26.224  16.362 -11.620
  245    HD2  HIS  32           HD2      HIS  32  26.074  19.317 -14.032
  246    HE1  HIS  32           HE1      HIS  32  25.353  15.880 -16.373
  247    HE2  HIS  32           HE2      HIS  32  25.879  18.363 -16.454
  248    H    ALA  33           HN       ALA  33  22.879  18.375  -9.794
  249    HA   ALA  33           HA       ALA  33  23.616  16.697  -7.476
  250    HB1  ALA  33           HB1      ALA  33  23.723  19.701  -7.296
  251    HB2  ALA  33           HB2      ALA  33  25.141  18.749  -7.724
  252    HB3  ALA  33           HB3      ALA  33  24.355  18.509  -6.164
  253    HA   PRO  34           HA       PRO  34  19.180  18.131  -7.458
  254    HB2  PRO  34           HB2      PRO  34  17.933  15.799  -8.087
  255    HB3  PRO  34           HB1      PRO  34  18.541  16.911  -9.327
  256    HG2  PRO  34           HG2      PRO  34  19.702  14.347  -8.351
  257    HG3  PRO  34           HG1      PRO  34  19.706  15.041  -9.981
  258    HD2  PRO  34           HD2      PRO  34  21.861  15.152  -8.183
  259    HD3  PRO  34           HD1      PRO  34  21.654  16.198  -9.602
  260    H    ARG  35           HN       ARG  35  17.883  17.941  -5.634
  261    HA   ARG  35           HA       ARG  35  18.407  15.672  -3.806
  262    HB2  ARG  35           HB2      ARG  35  18.233  18.587  -3.020
  263    HB3  ARG  35           HB1      ARG  35  18.342  17.230  -1.901
  264    HG2  ARG  35           HG2      ARG  35  20.506  16.582  -2.878
  265    HG3  ARG  35           HG1      ARG  35  20.403  17.930  -4.012
  266    HD2  ARG  35           HD2      ARG  35  20.363  18.255  -1.003
  267    HD3  ARG  35           HD1      ARG  35  21.817  18.406  -1.985
  268    HE   ARG  35           HE       ARG  35  19.835  20.105  -3.050
  269   HH11  ARG  35          HH21      ARG  35  21.821  19.694  -0.246
  270   HH12  ARG  35          HH22      ARG  35  21.894  21.386   0.120
  271   HH21  ARG  35          HH11      ARG  35  19.926  22.325  -2.575
  272   HH22  ARG  35          HH12      ARG  35  20.821  22.876  -1.199
  273    H    PHE  36           HN       PHE  36  16.582  14.711  -3.083
  274    HA   PHE  36           HA       PHE  36  14.032  16.198  -3.514
  275    HB2  PHE  36           HB2      PHE  36  14.520  13.217  -3.412
  276    HB3  PHE  36           HB1      PHE  36  12.984  14.021  -3.741
  277    HD1  PHE  36           HD2      PHE  36  12.720  15.403  -5.749
  278    HD2  PHE  36           HD1      PHE  36  16.202  13.022  -5.102
  279    HE1  PHE  36           HE2      PHE  36  13.259  15.556  -8.162
  280    HE2  PHE  36           HE1      PHE  36  16.790  13.209  -7.479
  281    HZ   PHE  36           HZ       PHE  36  15.318  14.465  -9.043
  282    H    ARG  37           HN       ARG  37  13.623  17.095  -1.542
  283    HA   ARG  37           HA       ARG  37  13.837  15.366   0.850
  284    HB2  ARG  37           HB2      ARG  37  13.489  18.360   0.508
  285    HB3  ARG  37           HB1      ARG  37  13.410  17.550   2.071
  286    HG2  ARG  37           HG2      ARG  37  15.693  16.694   1.756
  287    HG3  ARG  37           HG1      ARG  37  15.773  17.458   0.170
  288    HD2  ARG  37           HD2      ARG  37  15.467  19.673   1.226
  289    HD3  ARG  37           HD1      ARG  37  15.403  18.905   2.810
  290    HE   ARG  37           HE       ARG  37  17.789  18.097   1.595
  291   HH11  ARG  37          HH21      ARG  37  16.234  20.986   2.694
  292   HH12  ARG  37          HH22      ARG  37  17.712  21.802   3.076
  293   HH21  ARG  37          HH11      ARG  37  19.733  19.162   2.093
  294   HH22  ARG  37          HH12      ARG  37  19.694  20.768   2.735
  295    H    CYS  38           HN       CYS  38  12.047  14.164   1.031
  296    HA   CYS  38           HA       CYS  38   9.407  15.500   0.756
  297    HB2  CYS  38           HB2      CYS  38  10.080  12.565   0.529
  298    HB3  CYS  38           HB1      CYS  38   8.486  13.284   0.317
  299    HG   CYS  38           HG       CYS  38   9.366  13.235  -2.074
  300    H    ASN  39           HN       ASN  39   8.115  15.607   2.446
  301    HA   ASN  39           HA       ASN  39   8.937  14.195   4.934
  302    HB2  ASN  39           HB2      ASN  39   7.432  16.794   4.561
  303    HB3  ASN  39           HB1      ASN  39   7.663  15.992   6.111
  304   HD21  ASN  39          HD21      ASN  39   8.741  18.602   5.580
  305   HD22  ASN  39          HD22      ASN  39  10.434  18.476   5.574
  306    H    VAL  40           HN       VAL  40   7.263  13.389   6.310
  307    HA   VAL  40           HA       VAL  40   4.724  12.791   4.887
  308    HB   VAL  40           HB       VAL  40   6.002  10.756   5.008
  309   HG11  VAL  40          HG11      VAL  40   7.502  11.670   6.902
  310   HG12  VAL  40          HG12      VAL  40   7.100   9.958   6.965
  311   HG13  VAL  40          HG13      VAL  40   6.250  11.099   8.004
  312   HG21  VAL  40          HG21      VAL  40   3.536  10.773   5.726
  313   HG22  VAL  40          HG22      VAL  40   4.132  10.635   7.380
  314   HG23  VAL  40          HG23      VAL  40   4.486   9.367   6.206
  315    H    THR  41           HN       THR  41   3.059  13.695   5.822
  316    HA   THR  41           HA       THR  41   3.206  14.494   8.662
  317    HB   THR  41           HB       THR  41   1.229  15.217   6.494
  318    HG1  THR  41           HG1      THR  41   3.633  16.086   7.052
  319   HG21  THR  41          HG21      THR  41   0.061  15.287   8.580
  320   HG22  THR  41          HG22      THR  41   0.538  16.949   8.229
  321   HG23  THR  41          HG23      THR  41   1.448  15.999   9.404
  322    H    PHE  42           HN       PHE  42   2.230  13.341  10.194
  323    HA   PHE  42           HA       PHE  42  -0.220  11.851   9.560
  324    HB2  PHE  42           HB2      PHE  42   2.023  10.431   9.347
  325    HB3  PHE  42           HB1      PHE  42   1.918  10.388  11.106
  326    HD1  PHE  42           HD1      PHE  42  -0.332  10.049   8.159
  327    HD2  PHE  42           HD2      PHE  42   0.736   8.563  12.027
  328    HE1  PHE  42           HE1      PHE  42  -2.080   8.313   7.954
  329    HE2  PHE  42           HE2      PHE  42  -1.009   6.798  11.821
  330    HZ   PHE  42           HZ       PHE  42  -2.415   6.682   9.794
  331    H    CYS  43           HN       CYS  43  -1.634  11.819  11.247
  332    HA   CYS  43           HA       CYS  43  -2.572  12.556  13.213
  333    HB2  CYS  43           HB2      CYS  43  -1.399  10.465  13.892
  334    HB3  CYS  43           HB1      CYS  43   0.000  11.439  14.353
  335    HG   CYS  43           HG       CYS  43  -2.657  11.273  15.899
  336    H    GLY  44           HN       GLY  44  -0.967  14.513  11.790
  337    HA2  GLY  44           HA2      GLY  44  -0.420  16.736  12.162
  338    HA3  GLY  44           HA1      GLY  44  -0.795  16.496  13.864
  339    H    GLN  45           HN       GLN  45   1.514  14.544  12.070
  340    HA   GLN  45           HA       GLN  45   3.767  15.908  13.412
  341    HB2  GLN  45           HB2      GLN  45   3.303  12.918  13.375
  342    HB3  GLN  45           HB1      GLN  45   4.723  13.742  14.028
  343    HG2  GLN  45           HG2      GLN  45   1.883  14.156  15.002
  344    HG3  GLN  45           HG1      GLN  45   3.084  13.145  15.801
  345   HE21  GLN  45          HE21      GLN  45   1.712  16.052  16.217
  346   HE22  GLN  45          HE22      GLN  45   3.029  16.944  16.809
  347    H    THR  46           HN       THR  46   5.279  16.417  11.988
  348    HA   THR  46           HA       THR  46   5.359  14.970   9.414
  349    HB   THR  46           HB       THR  46   6.297  16.930   8.451
  350    HG1  THR  46           HG1      THR  46   6.498  17.891  11.112
  351   HG21  THR  46          HG21      THR  46   4.282  17.950  10.461
  352   HG22  THR  46          HG22      THR  46   3.830  16.963   9.073
  353   HG23  THR  46          HG23      THR  46   4.570  18.544   8.827
  354    H    PHE  47           HN       PHE  47   6.804  13.377   9.473
  355    HA   PHE  47           HA       PHE  47   9.319  13.716  10.944
  356    HB2  PHE  47           HB2      PHE  47   8.002  11.343   9.631
  357    HB3  PHE  47           HB1      PHE  47   9.645  11.291  10.268
  358    HD1  PHE  47           HD1      PHE  47   6.118  11.961  11.162
  359    HD2  PHE  47           HD2      PHE  47  10.057  11.121  12.621
  360    HE1  PHE  47           HE1      PHE  47   5.195  11.579  13.436
  361    HE2  PHE  47           HE2      PHE  47   9.146  10.756  14.897
  362    HZ   PHE  47           HZ       PHE  47   6.712  10.985  15.306
  363    H    GLN  48           HN       GLN  48  11.320  13.754   9.972
  364    HA   GLN  48           HA       GLN  48  11.527  13.449   7.067
  365    HB2  GLN  48           HB2      GLN  48  10.958  15.838   7.428
  366    HB3  GLN  48           HB1      GLN  48  12.366  15.994   8.478
  367    HG2  GLN  48           HG2      GLN  48  13.868  15.472   6.669
  368    HG3  GLN  48           HG1      GLN  48  12.530  15.043   5.608
  369   HE21  GLN  48          HE21      GLN  48  14.030  16.916   4.455
  370   HE22  GLN  48          HE22      GLN  48  13.384  18.476   4.624
  371    H    SER  49           HN       SER  49  13.587  12.937   6.371
  372    HA   SER  49           HA       SER  49  15.391  11.968   8.438
  373    HB2  SER  49           HB2      SER  49  16.392  10.702   6.763
  374    HB3  SER  49           HB1      SER  49  14.750  10.850   6.139
  375    HG   SER  49           HG       SER  49  17.121  12.030   5.290
  376    H    SER  50           HN       SER  50  17.736  12.420   8.274
  377    HA   SER  50           HA       SER  50  18.179  15.295   7.922
  378    HB2  SER  50           HB2      SER  50  20.229  14.939   9.147
  379    HB3  SER  50           HB1      SER  50  18.923  14.112   9.993
  380    HG   SER  50           HG       SER  50  19.620  12.227   8.674
  381    H    GLU  51           HN       GLU  51  18.376  12.610   6.006
  382    HA   GLU  51           HA       GLU  51  20.631  13.706   4.416
  383    HB2  GLU  51           HB2      GLU  51  19.669  10.853   4.714
  384    HB3  GLU  51           HB1      GLU  51  20.858  11.379   3.521
  385    HG2  GLU  51           HG2      GLU  51  22.342  12.167   5.293
  386    HG3  GLU  51           HG1      GLU  51  21.139  11.761   6.516
  387    H    PHE  52           HN       PHE  52  20.425  13.621   2.166
  388    HA   PHE  52           HA       PHE  52  17.632  13.792   1.218
  389    HB2  PHE  52           HB2      PHE  52  18.983  14.890  -0.829
  390    HB3  PHE  52           HB1      PHE  52  18.533  15.827   0.596
  391    HD1  PHE  52           HD2      PHE  52  20.148  15.671   2.579
  392    HD2  PHE  52           HD1      PHE  52  21.245  14.868  -1.460
  393    HE1  PHE  52           HE2      PHE  52  22.542  16.141   3.154
  394    HE2  PHE  52           HE1      PHE  52  23.634  15.329  -0.927
  395    HZ   PHE  52           HZ       PHE  52  24.286  15.969   1.385
  396    H    PHE  53           HN       PHE  53  16.898  12.537  -0.228
  397    HA   PHE  53           HA       PHE  53  18.512  10.276  -1.101
  398    HB2  PHE  53           HB2      PHE  53  15.661  10.564  -1.980
  399    HB3  PHE  53           HB1      PHE  53  16.560   9.117  -1.513
  400    HD1  PHE  53           HD1      PHE  53  14.934  12.173  -0.244
  401    HD2  PHE  53           HD2      PHE  53  16.695   8.418   0.758
  402    HE1  PHE  53           HE1      PHE  53  14.045  12.395   2.047
  403    HE2  PHE  53           HE2      PHE  53  15.836   8.649   3.050
  404    HZ   PHE  53           HZ       PHE  53  14.497  10.616   3.707
  405    HA   PRO  54           HA       PRO  54  19.212  11.910  -5.183
  406    HB2  PRO  54           HB2      PRO  54  19.825   9.634  -6.548
  407    HB3  PRO  54           HB1      PRO  54  20.904  10.329  -5.321
  408    HG2  PRO  54           HG2      PRO  54  19.021   8.026  -5.099
  409    HG3  PRO  54           HG1      PRO  54  20.651   8.219  -4.428
  410    HD2  PRO  54           HD2      PRO  54  18.331   8.591  -2.956
  411    HD3  PRO  54           HD1      PRO  54  19.894   9.347  -2.571
  412    H    THR  55           HN       THR  55  16.547  10.008  -4.426
  413    HA   THR  55           HA       THR  55  15.294  10.605  -7.036
  414    HB   THR  55           HB       THR  55  14.605   8.039  -5.642
  415    HG1  THR  55           HG1      THR  55  16.348   7.052  -6.324
  416   HG21  THR  55          HG21      THR  55  14.845   8.722  -8.577
  417   HG22  THR  55          HG22      THR  55  13.365   8.937  -7.641
  418   HG23  THR  55          HG23      THR  55  14.040   7.324  -7.861
  419    H    LEU  56           HN       LEU  56  13.022  10.769  -6.996
  420    HA   LEU  56           HA       LEU  56  12.053  12.119  -4.701
  421    HB2  LEU  56           HB2      LEU  56  11.283  11.946  -7.353
  422    HB3  LEU  56           HB1      LEU  56   9.955  11.149  -6.516
  423    HG   LEU  56           HG       LEU  56  11.057  13.868  -5.749
  424   HD11  LEU  56          HD11      LEU  56   8.876  14.650  -6.730
  425   HD12  LEU  56          HD12      LEU  56   8.724  13.051  -7.457
  426   HD13  LEU  56          HD13      LEU  56  10.079  14.093  -7.889
  427   HD21  LEU  56          HD21      LEU  56   9.872  12.438  -3.989
  428   HD22  LEU  56          HD22      LEU  56   8.434  12.544  -4.999
  429   HD23  LEU  56          HD23      LEU  56   9.135  14.006  -4.304
  430    H    LYS  57           HN       LYS  57  10.699   9.107  -6.175
  431    HA   LYS  57           HA       LYS  57   9.039   8.431  -4.108
  432    HB2  LYS  57           HB2      LYS  57  10.591   6.699  -6.039
  433    HB3  LYS  57           HB1      LYS  57   9.327   6.078  -4.982
  434    HG2  LYS  57           HG2      LYS  57   7.716   7.664  -5.995
  435    HG3  LYS  57           HG1      LYS  57   8.986   8.248  -7.070
  436    HD2  LYS  57           HD2      LYS  57   9.223   6.005  -8.049
  437    HD3  LYS  57           HD1      LYS  57   7.996   5.383  -6.944
  438    HE2  LYS  57           HE2      LYS  57   7.003   5.863  -9.143
  439    HE3  LYS  57           HE1      LYS  57   6.338   6.942  -7.917
  440    HZ1  LYS  57           HZ1      LYS  57   8.101   8.563  -8.612
  441    HZ2  LYS  57           HZ2      LYS  57   6.885   8.275  -9.761
  442    HZ3  LYS  57           HZ3      LYS  57   8.412   7.556  -9.940
  443    H    SER  58           HN       SER  58  12.503   7.793  -4.458
  444    HA   SER  58           HA       SER  58  12.823   5.932  -2.400
  445    HB2  SER  58           HB2      SER  58  15.155   6.754  -2.285
  446    HB3  SER  58           HB1      SER  58  14.627   6.495  -3.943
  447    HG   SER  58           HG       SER  58  15.531   8.496  -3.927
  448    H    ALA  59           HN       ALA  59  12.428   9.429  -2.295
  449    HA   ALA  59           HA       ALA  59  13.150   9.731   0.451
  450    HB1  ALA  59           HB1      ALA  59  11.326  11.546  -1.107
  451    HB2  ALA  59           HB2      ALA  59  13.062  11.528  -1.367
  452    HB3  ALA  59           HB3      ALA  59  12.414  11.969   0.216
  453    H    GLU  60           HN       GLU  60  10.070   9.345  -1.258
  454    HA   GLU  60           HA       GLU  60   8.374   9.691   0.985
  455    HB2  GLU  60           HB2      GLU  60   7.981   8.162  -1.597
  456    HB3  GLU  60           HB1      GLU  60   6.704   8.470  -0.419
  457    HG2  GLU  60           HG2      GLU  60   6.993  10.880  -0.673
  458    HG3  GLU  60           HG1      GLU  60   8.349  10.626  -1.772
  459    H    HIS  61           HN       HIS  61   9.873   6.808  -0.460
  460    HA   HIS  61           HA       HIS  61   8.605   4.920   1.238
  461    HB2  HIS  61           HB2      HIS  61  11.285   4.696  -0.150
  462    HB3  HIS  61           HB1      HIS  61  10.300   3.363   0.449
  463    HD2  HIS  61           HD2      HIS  61  10.953   4.521  -2.896
  464    HE1  HIS  61           HE1      HIS  61   6.748   4.160  -2.951
  465    HE2  HIS  61           HE2      HIS  61   8.822   4.391  -4.396
  466    H    ALA  62           HN       ALA  62  11.784   6.516   1.395
  467    HA   ALA  62           HA       ALA  62  12.603   5.255   3.810
  468    HB1  ALA  62           HB1      ALA  62  14.340   7.003   3.873
  469    HB2  ALA  62           HB2      ALA  62  13.512   7.865   2.577
  470    HB3  ALA  62           HB3      ALA  62  14.213   6.275   2.272
  471    H    ALA  63           HN       ALA  63  10.914   8.273   3.089
  472    HA   ALA  63           HA       ALA  63  11.005   9.415   5.667
  473    HB1  ALA  63           HB1      ALA  63  10.311  10.754   3.789
  474    HB2  ALA  63           HB2      ALA  63   8.946  10.650   4.901
  475    HB3  ALA  63           HB3      ALA  63   8.971   9.661   3.440
  476    H    ALA  64           HN       ALA  64   8.593   7.264   4.149
  477    HA   ALA  64           HA       ALA  64   6.773   7.203   6.282
  478    HB1  ALA  64           HB1      ALA  64   6.095   4.982   5.295
  479    HB2  ALA  64           HB2      ALA  64   7.435   5.159   4.162
  480    HB3  ALA  64           HB3      ALA  64   6.113   6.324   4.153
  481    H    LYS  65           HN       LYS  65   9.724   5.324   5.682
  482    HA   LYS  65           HA       LYS  65   9.432   3.379   7.683
  483    HB2  LYS  65           HB2      LYS  65  11.215   3.414   5.933
  484    HB3  LYS  65           HB1      LYS  65  11.985   4.743   6.793
  485    HG2  LYS  65           HG2      LYS  65  12.236   3.336   8.789
  486    HG3  LYS  65           HG1      LYS  65  11.437   2.001   7.963
  487    HD2  LYS  65           HD2      LYS  65  13.237   2.006   6.253
  488    HD3  LYS  65           HD1      LYS  65  14.036   3.316   7.118
  489    HE2  LYS  65           HE2      LYS  65  14.234   1.882   9.117
  490    HE3  LYS  65           HE1      LYS  65  13.448   0.565   8.247
  491    HZ1  LYS  65           HZ1      LYS  65  15.596   0.049   7.823
  492    HZ2  LYS  65           HZ2      LYS  65  16.138   1.656   7.939
  493    HZ3  LYS  65           HZ3      LYS  65  15.353   1.122   6.531
  494    H    ILE  66           HN       ILE  66  11.043   6.605   7.860
  495    HA   ILE  66           HA       ILE  66  11.812   6.456  10.532
  496    HB   ILE  66           HB       ILE  66  10.980   8.854   8.866
  497   HG12  ILE  66          HG12      ILE  66  13.747   7.858   9.600
  498   HG13  ILE  66          HG11      ILE  66  12.934   7.422   8.095
  499   HG21  ILE  66          HG21      ILE  66  12.405  10.099  10.541
  500   HG22  ILE  66          HG22      ILE  66  12.359   8.652  11.550
  501   HG23  ILE  66          HG23      ILE  66  10.868   9.509  11.166
  502   HD11  ILE  66          HD11      ILE  66  14.510   9.438   7.982
  503   HD12  ILE  66          HD12      ILE  66  13.311  10.300   8.944
  504   HD13  ILE  66          HD13      ILE  66  12.883   9.685   7.347
  505    H    ALA  67           HN       ALA  67   8.810   7.761   9.112
  506    HA   ALA  67           HA       ALA  67   7.622   8.482  11.586
  507    HB1  ALA  67           HB1      ALA  67   6.932   9.291   9.303
  508    HB2  ALA  67           HB2      ALA  67   5.600   8.787  10.341
  509    HB3  ALA  67           HB3      ALA  67   6.166   7.725   9.051
  510    H    VAL  68           HN       VAL  68   7.357   5.579   9.561
  511    HA   VAL  68           HA       VAL  68   5.430   4.224  11.056
  512    HB   VAL  68           HB       VAL  68   7.646   3.308   9.222
  513   HG11  VAL  68          HG11      VAL  68   5.753   1.633  10.873
  514   HG12  VAL  68          HG12      VAL  68   7.494   1.440  10.657
  515   HG13  VAL  68          HG13      VAL  68   6.397   1.045   9.338
  516   HG21  VAL  68          HG21      VAL  68   5.881   2.900   7.681
  517   HG22  VAL  68          HG22      VAL  68   5.482   4.449   8.424
  518   HG23  VAL  68          HG23      VAL  68   4.652   2.982   8.944
  519    H    ALA  69           HN       ALA  69   8.971   4.345  11.386
  520    HA   ALA  69           HA       ALA  69   9.152   2.374  13.400
  521    HB1  ALA  69           HB1      ALA  69  11.389   3.189  13.727
  522    HB2  ALA  69           HB2      ALA  69  10.993   4.734  12.974
  523    HB3  ALA  69           HB3      ALA  69  11.043   3.265  11.999
  524    H    SER  70           HN       SER  70   8.364   5.778  13.438
  525    HA   SER  70           HA       SER  70   8.812   6.271  16.196
  526    HB2  SER  70           HB2      SER  70   6.817   7.624  14.369
  527    HB3  SER  70           HB1      SER  70   7.457   8.261  15.879
  528    HG   SER  70           HG       SER  70   9.229   8.804  14.879
  529    H    LEU  71           HN       LEU  71   5.994   5.181  14.382
  530    HA   LEU  71           HA       LEU  71   4.182   5.172  16.581
  531    HB2  LEU  71           HB2      LEU  71   4.036   3.475  14.082
  532    HB3  LEU  71           HB1      LEU  71   2.703   3.920  15.149
  533    HG   LEU  71           HG       LEU  71   4.382   5.870  13.545
  534   HD11  LEU  71          HD11      LEU  71   2.204   6.198  12.309
  535   HD12  LEU  71          HD12      LEU  71   1.584   4.777  13.151
  536   HD13  LEU  71          HD13      LEU  71   2.957   4.624  12.055
  537   HD21  LEU  71          HD21      LEU  71   3.641   7.086  15.419
  538   HD22  LEU  71          HD22      LEU  71   2.132   6.181  15.533
  539   HD23  LEU  71          HD23      LEU  71   2.351   7.375  14.255
  540    H    THR  72           HN       THR  72   6.537   2.908  15.385
  541    HA   THR  72           HA       THR  72   6.187   1.263  17.772
  542    HB   THR  72           HB       THR  72   6.070  -0.830  16.410
  543    HG1  THR  72           HG1      THR  72   5.122   0.560  14.233
  544   HG21  THR  72          HG21      THR  72   3.722  -0.736  16.102
  545   HG22  THR  72          HG22      THR  72   3.759   0.986  15.716
  546   HG23  THR  72          HG23      THR  72   4.044   0.445  17.372
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  10.114  -3.424  -0.394
    2    H2   MET   1           HT2      MET   1   9.992  -4.086   1.167
    3    H3   MET   1           HT3      MET   1  11.120  -4.712   0.061
    4    HA   MET   1           HA       MET   1  11.370  -2.509   1.855
    5    HB2  MET   1           HB2      MET   1  13.301  -3.978   0.027
    6    HB3  MET   1           HB1      MET   1  13.766  -2.879   1.325
    7    HG2  MET   1           HG2      MET   1  12.115  -5.390   1.718
    8    HG3  MET   1           HG1      MET   1  13.847  -5.286   2.013
    9    HE1  MET   1           HE1      MET   1  14.433  -3.291   4.982
   10    HE2  MET   1           HE2      MET   1  14.209  -2.292   3.550
   11    HE3  MET   1           HE3      MET   1  14.974  -3.871   3.404
   12    H    ASP   2           HN       ASP   2  11.224  -2.894  -1.614
   13    HA   ASP   2           HA       ASP   2  12.528  -0.508  -2.385
   14    HB2  ASP   2           HB2      ASP   2  10.380  -2.165  -3.713
   15    HB3  ASP   2           HB1      ASP   2  11.116  -0.758  -4.478
   16    H    HIS   3           HN       HIS   3   9.136  -1.216  -1.617
   17    HA   HIS   3           HA       HIS   3   8.651   1.474  -0.766
   18    HB2  HIS   3           HB2      HIS   3   7.035   2.114  -2.459
   19    HB3  HIS   3           HB1      HIS   3   8.573   1.756  -3.244
   20    HD2  HIS   3           HD2      HIS   3   4.939   0.755  -3.628
   21    HE1  HIS   3           HE1      HIS   3   7.150  -2.393  -5.365
   22    HE2  HIS   3           HE2      HIS   3   4.832  -1.387  -5.118
   23    H    VAL   4           HN       VAL   4   8.305  -0.567   0.812
   24    HA   VAL   4           HA       VAL   4   5.537  -1.532   0.599
   25    HB   VAL   4           HB       VAL   4   6.245  -2.992   2.502
   26   HG11  VAL   4          HG11      VAL   4   7.821  -3.073  -0.074
   27   HG12  VAL   4          HG12      VAL   4   6.299  -3.894   0.267
   28   HG13  VAL   4          HG13      VAL   4   7.777  -4.405   1.081
   29   HG21  VAL   4          HG21      VAL   4   8.099  -1.425   3.244
   30   HG22  VAL   4          HG22      VAL   4   9.022  -2.000   1.852
   31   HG23  VAL   4          HG23      VAL   4   8.561  -3.126   3.128
   32    H    TYR   5           HN       TYR   5   7.434   0.852   2.171
   33    HA   TYR   5           HA       TYR   5   6.189   1.026   4.670
   34    HB2  TYR   5           HB2      TYR   5   7.130   3.421   3.095
   35    HB3  TYR   5           HB1      TYR   5   7.179   3.157   4.839
   36    HD1  TYR   5           HD1      TYR   5   8.647   2.113   1.598
   37    HD2  TYR   5           HD2      TYR   5   8.970   1.960   5.863
   38    HE1  TYR   5           HE1      TYR   5  10.921   1.141   1.390
   39    HE2  TYR   5           HE2      TYR   5  11.241   0.995   5.674
   40    HH   TYR   5           HH       TYR   5  13.034   0.816   4.112
   41    H    LYS   6           HN       LYS   6   5.369   2.561   1.571
   42    HA   LYS   6           HA       LYS   6   3.241   4.143   2.480
   43    HB2  LYS   6           HB2      LYS   6   3.743   2.841  -0.198
   44    HB3  LYS   6           HB1      LYS   6   2.440   3.994   0.088
   45    HG2  LYS   6           HG2      LYS   6   4.189   5.617   0.935
   46    HG3  LYS   6           HG1      LYS   6   5.417   4.485   0.373
   47    HD2  LYS   6           HD2      LYS   6   3.242   5.618  -1.407
   48    HD3  LYS   6           HD1      LYS   6   4.856   6.315  -1.280
   49    HE2  LYS   6           HE2      LYS   6   5.728   3.958  -1.860
   50    HE3  LYS   6           HE1      LYS   6   4.073   3.601  -2.348
   51    HZ1  LYS   6           HZ1      LYS   6   4.352   4.715  -4.218
   52    HZ2  LYS   6           HZ2      LYS   6   6.005   4.846  -3.848
   53    HZ3  LYS   6           HZ3      LYS   6   4.933   6.085  -3.405
   54    H    GLY   7           HN       GLY   7   3.308   0.785   1.351
   55    HA2  GLY   7           HA2      GLY   7   0.493   0.374   1.468
   56    HA3  GLY   7           HA1      GLY   7   1.722  -0.885   1.419
   57    H    GLN   8           HN       GLN   8   3.065   0.255   3.829
   58    HA   GLN   8           HA       GLN   8   1.562  -1.220   5.786
   59    HB2  GLN   8           HB2      GLN   8   4.059  -1.227   5.678
   60    HB3  GLN   8           HB1      GLN   8   4.040   0.463   6.182
   61    HG2  GLN   8           HG2      GLN   8   4.378  -0.913   8.150
   62    HG3  GLN   8           HG1      GLN   8   2.761  -0.225   8.233
   63   HE21  GLN   8          HE21      GLN   8   1.738  -1.931   9.410
   64   HE22  GLN   8          HE22      GLN   8   1.588  -3.507   8.802
   65    H    LEU   9           HN       LEU   9   2.557   2.156   5.421
   66    HA   LEU   9           HA       LEU   9   1.244   3.127   7.710
   67    HB2  LEU   9           HB2      LEU   9   2.982   4.419   6.528
   68    HB3  LEU   9           HB1      LEU   9   1.893   4.589   5.152
   69    HG   LEU   9           HG       LEU   9   0.266   5.785   6.602
   70   HD11  LEU   9          HD11      LEU   9   0.569   5.045   8.790
   71   HD12  LEU   9          HD12      LEU   9   1.405   6.590   8.858
   72   HD13  LEU   9          HD13      LEU   9   2.329   5.097   8.682
   73   HD21  LEU   9          HD21      LEU   9   1.761   7.807   7.057
   74   HD22  LEU   9          HD22      LEU   9   1.737   7.206   5.399
   75   HD23  LEU   9          HD23      LEU   9   3.097   6.824   6.456
   76    H    GLN  10           HN       GLN  10   0.169   2.818   4.388
   77    HA   GLN  10           HA       GLN  10  -2.265   4.128   4.727
   78    HB2  GLN  10           HB2      GLN  10  -1.215   3.479   2.518
   79    HB3  GLN  10           HB1      GLN  10  -1.737   1.825   2.833
   80    HG2  GLN  10           HG2      GLN  10  -3.412   2.849   1.439
   81    HG3  GLN  10           HG1      GLN  10  -4.095   2.700   3.057
   82   HE21  GLN  10          HE21      GLN  10  -2.142   5.106   1.190
   83   HE22  GLN  10          HE22      GLN  10  -2.983   6.454   1.786
   84    H    ALA  11           HN       ALA  11  -1.354   0.759   5.173
   85    HA   ALA  11           HA       ALA  11  -3.987  -0.206   5.696
   86    HB1  ALA  11           HB1      ALA  11  -1.262  -1.310   6.408
   87    HB2  ALA  11           HB2      ALA  11  -2.263  -1.761   5.028
   88    HB3  ALA  11           HB3      ALA  11  -2.779  -2.174   6.664
   89    H    TYR  12           HN       TYR  12  -1.370   1.045   7.715
   90    HA   TYR  12           HA       TYR  12  -2.453   0.374  10.228
   91    HB2  TYR  12           HB2      TYR  12  -0.141   1.101   9.995
   92    HB3  TYR  12           HB1      TYR  12  -0.669   2.686   9.432
   93    HD1  TYR  12           HD1      TYR  12  -0.619   0.385  12.341
   94    HD2  TYR  12           HD2      TYR  12  -1.444   4.368  10.961
   95    HE1  TYR  12           HE1      TYR  12  -0.794   1.161  14.689
   96    HE2  TYR  12           HE2      TYR  12  -1.618   5.145  13.310
   97    HH   TYR  12           HH       TYR  12  -0.922   2.965  16.021
   98    H    ALA  13           HN       ALA  13  -2.655   3.426   8.384
   99    HA   ALA  13           HA       ALA  13  -4.287   4.829  10.164
  100    HB1  ALA  13           HB1      ALA  13  -4.501   6.405   8.476
  101    HB2  ALA  13           HB2      ALA  13  -4.678   5.189   7.209
  102    HB3  ALA  13           HB3      ALA  13  -3.091   5.522   7.892
  103    H    LEU  14           HN       LEU  14  -5.205   2.822   7.365
  104    HA   LEU  14           HA       LEU  14  -7.981   3.153   7.643
  105    HB2  LEU  14           HB2      LEU  14  -6.925   2.254   5.603
  106    HB3  LEU  14           HB1      LEU  14  -6.453   0.805   6.485
  107    HG   LEU  14           HG       LEU  14  -8.895   0.385   6.979
  108   HD11  LEU  14          HD11      LEU  14 -10.410   1.671   5.260
  109   HD12  LEU  14          HD12      LEU  14  -9.130   2.878   5.300
  110   HD13  LEU  14          HD13      LEU  14  -9.985   2.444   6.779
  111   HD21  LEU  14          HD21      LEU  14  -7.921  -0.856   5.190
  112   HD22  LEU  14          HD22      LEU  14  -7.943   0.547   4.118
  113   HD23  LEU  14          HD23      LEU  14  -9.456  -0.231   4.585
  114    H    GLN  15           HN       GLN  15  -5.785   0.662   8.895
  115    HA   GLN  15           HA       GLN  15  -7.781  -0.931  10.105
  116    HB2  GLN  15           HB2      GLN  15  -5.468  -1.708   9.636
  117    HB3  GLN  15           HB1      GLN  15  -4.876  -0.644  10.912
  118    HG2  GLN  15           HG2      GLN  15  -6.248  -1.827  12.568
  119    HG3  GLN  15           HG1      GLN  15  -6.904  -2.863  11.304
  120   HE21  GLN  15          HE21      GLN  15  -5.982  -4.882  11.851
  121   HE22  GLN  15          HE22      GLN  15  -4.311  -5.148  11.985
  122    H    HIS  16           HN       HIS  16  -5.834   1.770  11.283
  123    HA   HIS  16           HA       HIS  16  -7.062   1.624  13.934
  124    HB2  HIS  16           HB2      HIS  16  -4.893   3.341  12.722
  125    HB3  HIS  16           HB1      HIS  16  -5.571   3.670  14.317
  126    HD2  HIS  16           HD2      HIS  16  -3.476   0.812  12.549
  127    HE1  HIS  16           HE1      HIS  16  -3.279   0.252  16.728
  128    HE2  HIS  16           HE2      HIS  16  -2.402  -0.565  14.489
  129    H    ASN  17           HN       ASN  17  -7.852   2.914  10.968
  130    HA   ASN  17           HA       ASN  17  -9.416   4.450  10.285
  131    HB2  ASN  17           HB2      ASN  17 -10.719   3.218  12.105
  132    HB3  ASN  17           HB1      ASN  17 -10.328   4.576  13.158
  133   HD21  ASN  17          HD21      ASN  17 -12.416   5.541  13.285
  134   HD22  ASN  17          HD22      ASN  17 -13.237   6.151  11.931
  135    H    LEU  18           HN       LEU  18  -7.299   5.751  10.189
  136    HA   LEU  18           HA       LEU  18  -7.629   8.216  11.818
  137    HB2  LEU  18           HB2      LEU  18  -5.026   6.971  10.895
  138    HB3  LEU  18           HB1      LEU  18  -5.197   8.472  11.803
  139    HG   LEU  18           HG       LEU  18  -6.181   5.777  12.785
  140   HD11  LEU  18          HD11      LEU  18  -4.229   5.649  14.155
  141   HD12  LEU  18          HD12      LEU  18  -3.757   7.301  13.758
  142   HD13  LEU  18          HD13      LEU  18  -3.646   6.035  12.537
  143   HD21  LEU  18          HD21      LEU  18  -6.106   8.574  13.924
  144   HD22  LEU  18          HD22      LEU  18  -6.038   7.185  15.005
  145   HD23  LEU  18          HD23      LEU  18  -7.422   7.401  13.943
  146    H    GLU  19           HN       GLU  19  -7.247  10.158  10.782
  147    HA   GLU  19           HA       GLU  19  -8.098  10.559   8.238
  148    HB2  GLU  19           HB2      GLU  19  -5.923  12.138   9.643
  149    HB3  GLU  19           HB1      GLU  19  -6.865  12.697   8.263
  150    HG2  GLU  19           HG2      GLU  19  -8.065  13.616  10.050
  151    HG3  GLU  19           HG1      GLU  19  -8.945  12.118   9.767
  152    H    LEU  20           HN       LEU  20  -7.357  10.249   6.234
  153    HA   LEU  20           HA       LEU  20  -5.355   8.559   5.586
  154    HB2  LEU  20           HB2      LEU  20  -5.354   9.562   3.322
  155    HB3  LEU  20           HB1      LEU  20  -6.972   9.270   3.954
  156    HG   LEU  20           HG       LEU  20  -6.457  11.847   4.884
  157   HD11  LEU  20          HD11      LEU  20  -5.541  13.111   3.012
  158   HD12  LEU  20          HD12      LEU  20  -5.340  11.632   2.073
  159   HD13  LEU  20          HD13      LEU  20  -4.369  11.897   3.519
  160   HD21  LEU  20          HD21      LEU  20  -7.798  10.896   2.342
  161   HD22  LEU  20          HD22      LEU  20  -7.924  12.548   2.946
  162   HD23  LEU  20          HD23      LEU  20  -8.554  11.209   3.904
  163    HA   PRO  21           HA       PRO  21  -1.594  10.798   6.376
  164    HB2  PRO  21           HB2      PRO  21   0.139   9.368   4.815
  165    HB3  PRO  21           HB1      PRO  21  -0.556   8.709   6.298
  166    HG2  PRO  21           HG2      PRO  21  -1.381   8.239   3.467
  167    HG3  PRO  21           HG1      PRO  21  -1.236   7.084   4.806
  168    HD2  PRO  21           HD2      PRO  21  -3.633   8.132   4.016
  169    HD3  PRO  21           HD1      PRO  21  -3.291   7.635   5.692
  170    H    VAL  22           HN       VAL  22  -0.106  12.251   5.423
  171    HA   VAL  22           HA       VAL  22  -0.609  12.957   2.585
  172    HB   VAL  22           HB       VAL  22  -0.491  14.827   4.961
  173   HG11  VAL  22          HG11      VAL  22  -0.801  16.591   3.112
  174   HG12  VAL  22          HG12      VAL  22  -0.245  15.345   1.995
  175   HG13  VAL  22          HG13      VAL  22   0.815  15.904   3.289
  176   HG21  VAL  22          HG21      VAL  22  -2.574  14.586   2.783
  177   HG22  VAL  22          HG22      VAL  22  -2.711  15.437   4.322
  178   HG23  VAL  22          HG23      VAL  22  -2.670  13.673   4.289
  179    H    TYR  23           HN       TYR  23   1.159  13.234   1.428
  180    HA   TYR  23           HA       TYR  23   3.779  13.288   2.773
  181    HB2  TYR  23           HB2      TYR  23   2.971  12.276   0.074
  182    HB3  TYR  23           HB1      TYR  23   4.637  12.453   0.614
  183    HD1  TYR  23           HD1      TYR  23   1.388  10.941   1.683
  184    HD2  TYR  23           HD2      TYR  23   5.645  10.711   1.771
  185    HE1  TYR  23           HE1      TYR  23   1.237   8.778   2.862
  186    HE2  TYR  23           HE2      TYR  23   5.534   8.524   2.954
  187    HH   TYR  23           HH       TYR  23   3.585   7.425   4.548
  188    H    ALA  24           HN       ALA  24   5.433  14.597   1.947
  189    HA   ALA  24           HA       ALA  24   4.476  16.937   0.368
  190    HB1  ALA  24           HB1      ALA  24   5.784  18.379   1.635
  191    HB2  ALA  24           HB2      ALA  24   6.822  17.085   2.233
  192    HB3  ALA  24           HB3      ALA  24   5.179  17.257   2.851
  193    H    ASN  25           HN       ASN  25   5.755  17.672  -1.292
  194    HA   ASN  25           HA       ASN  25   8.123  16.004  -1.973
  195    HB2  ASN  25           HB2      ASN  25   6.058  17.190  -3.851
  196    HB3  ASN  25           HB1      ASN  25   7.482  16.269  -4.329
  197   HD21  ASN  25          HD21      ASN  25   4.246  15.863  -4.025
  198   HD22  ASN  25          HD22      ASN  25   4.188  14.230  -3.564
  199    H    GLU  26           HN       GLU  26   9.932  17.102  -2.083
  200    HA   GLU  26           HA       GLU  26   9.855  19.926  -3.024
  201    HB2  GLU  26           HB2      GLU  26  11.549  18.931  -0.737
  202    HB3  GLU  26           HB1      GLU  26  11.509  20.562  -1.375
  203    HG2  GLU  26           HG2      GLU  26   9.134  20.767  -0.775
  204    HG3  GLU  26           HG1      GLU  26   9.144  19.120  -0.148
  205    H    ARG  27           HN       ARG  27  11.195  20.261  -4.687
  206    HA   ARG  27           HA       ARG  27  13.529  18.460  -5.024
  207    HB2  ARG  27           HB2      ARG  27  11.638  17.840  -6.545
  208    HB3  ARG  27           HB1      ARG  27  11.734  19.452  -7.253
  209    HG2  ARG  27           HG2      ARG  27  14.151  19.001  -7.789
  210    HG3  ARG  27           HG1      ARG  27  13.920  17.351  -7.218
  211    HD2  ARG  27           HD2      ARG  27  13.643  17.317  -9.606
  212    HD3  ARG  27           HD1      ARG  27  12.041  17.134  -8.896
  213    HE   ARG  27           HE       ARG  27  12.564  19.881  -9.356
  214   HH11  ARG  27          HH21      ARG  27  11.920  16.895 -10.983
  215   HH12  ARG  27          HH22      ARG  27  11.165  17.643 -12.350
  216   HH21  ARG  27          HH11      ARG  27  11.572  20.869 -11.146
  217   HH22  ARG  27          HH12      ARG  27  10.967  19.892 -12.441
  218    H    GLU  28           HN       GLU  28  15.342  19.610  -4.967
  219    HA   GLU  28           HA       GLU  28  15.589  21.996  -6.572
  220    HB2  GLU  28           HB2      GLU  28  16.383  23.383  -4.622
  221    HB3  GLU  28           HB1      GLU  28  14.650  23.058  -4.637
  222    HG2  GLU  28           HG2      GLU  28  15.017  21.155  -3.082
  223    HG3  GLU  28           HG1      GLU  28  16.732  21.559  -3.022
  224    H    GLY  29           HN       GLY  29  17.659  22.208  -7.264
  225    HA2  GLY  29           HA2      GLY  29  20.005  22.003  -6.146
  226    HA3  GLY  29           HA1      GLY  29  19.639  20.297  -6.237
  227    HA   PRO  30           HA       PRO  30  21.355  22.483 -10.307
  228    HB2  PRO  30           HB2      PRO  30  23.657  20.742  -9.482
  229    HB3  PRO  30           HB1      PRO  30  23.680  22.293 -10.341
  230    HG2  PRO  30           HG2      PRO  30  24.229  22.100  -7.713
  231    HG3  PRO  30           HG1      PRO  30  23.447  23.520  -8.425
  232    HD2  PRO  30           HD2      PRO  30  22.280  21.462  -6.652
  233    HD3  PRO  30           HD1      PRO  30  21.707  23.101  -7.028
  234    HA   PRO  31           HA       PRO  31  20.156  18.970 -12.717
  235    HB2  PRO  31           HB2      PRO  31  22.699  19.207 -14.283
  236    HB3  PRO  31           HB1      PRO  31  21.018  19.217 -14.854
  237    HG2  PRO  31           HG2      PRO  31  22.482  21.456 -14.733
  238    HG3  PRO  31           HG1      PRO  31  20.740  21.454 -14.407
  239    HD2  PRO  31           HD2      PRO  31  23.015  21.686 -12.487
  240    HD3  PRO  31           HD1      PRO  31  21.379  22.373 -12.416
  241    H    HIS  32           HN       HIS  32  23.674  18.940 -12.112
  242    HA   HIS  32           HA       HIS  32  23.687  16.019 -11.961
  243    HB2  HIS  32           HB2      HIS  32  26.109  16.259 -11.756
  244    HB3  HIS  32           HB1      HIS  32  25.518  17.200 -13.124
  245    HD2  HIS  32           HD2      HIS  32  27.400  17.766  -9.791
  246    HE1  HIS  32           HE1      HIS  32  26.460  21.582 -11.336
  247    HE2  HIS  32           HE2      HIS  32  27.791  20.338  -9.566
  248    H    ALA  33           HN       ALA  33  22.740  18.302  -9.906
  249    HA   ALA  33           HA       ALA  33  23.535  16.705  -7.554
  250    HB1  ALA  33           HB1      ALA  33  24.280  18.543  -6.306
  251    HB2  ALA  33           HB2      ALA  33  23.556  19.706  -7.410
  252    HB3  ALA  33           HB3      ALA  33  24.994  18.818  -7.894
  253    HA   PRO  34           HA       PRO  34  19.070  18.041  -7.564
  254    HB2  PRO  34           HB2      PRO  34  17.883  15.646  -8.091
  255    HB3  PRO  34           HB1      PRO  34  18.428  16.743  -9.375
  256    HG2  PRO  34           HG2      PRO  34  19.697  14.249  -8.348
  257    HG3  PRO  34           HG1      PRO  34  19.650  14.898  -9.995
  258    HD2  PRO  34           HD2      PRO  34  21.833  15.126  -8.253
  259    HD3  PRO  34           HD1      PRO  34  21.552  16.140  -9.684
  260    H    ARG  35           HN       ARG  35  17.804  17.898  -5.738
  261    HA   ARG  35           HA       ARG  35  18.405  15.734  -3.808
  262    HB2  ARG  35           HB2      ARG  35  18.199  18.689  -3.235
  263    HB3  ARG  35           HB1      ARG  35  18.189  17.440  -1.995
  264    HG2  ARG  35           HG2      ARG  35  20.395  16.661  -2.726
  265    HG3  ARG  35           HG1      ARG  35  20.406  17.859  -4.021
  266    HD2  ARG  35           HD2      ARG  35  20.285  19.669  -2.345
  267    HD3  ARG  35           HD1      ARG  35  20.279  18.473  -1.055
  268    HE   ARG  35           HE       ARG  35  22.566  18.098  -1.425
  269   HH11  ARG  35          HH21      ARG  35  21.154  20.138  -3.840
  270   HH12  ARG  35          HH22      ARG  35  22.673  20.633  -4.508
  271   HH21  ARG  35          HH11      ARG  35  24.562  18.742  -2.298
  272   HH22  ARG  35          HH12      ARG  35  24.603  19.842  -3.636
  273    H    PHE  36           HN       PHE  36  16.654  14.715  -3.076
  274    HA   PHE  36           HA       PHE  36  14.024  16.053  -3.496
  275    HB2  PHE  36           HB2      PHE  36  14.683  13.099  -3.362
  276    HB3  PHE  36           HB1      PHE  36  13.089  13.805  -3.628
  277    HD1  PHE  36           HD2      PHE  36  12.605  15.059  -5.684
  278    HD2  PHE  36           HD1      PHE  36  16.339  13.048  -5.116
  279    HE1  PHE  36           HE2      PHE  36  13.052  15.202  -8.125
  280    HE2  PHE  36           HE1      PHE  36  16.810  13.228  -7.511
  281    HZ   PHE  36           HZ       PHE  36  15.178  14.302  -9.055
  282    H    ARG  37           HN       ARG  37  13.580  16.990  -1.575
  283    HA   ARG  37           HA       ARG  37  13.822  15.319   0.876
  284    HB2  ARG  37           HB2      ARG  37  13.515  18.318   0.473
  285    HB3  ARG  37           HB1      ARG  37  13.412  17.532   2.049
  286    HG2  ARG  37           HG2      ARG  37  15.678  16.587   1.712
  287    HG3  ARG  37           HG1      ARG  37  15.782  17.423   0.163
  288    HD2  ARG  37           HD2      ARG  37  15.291  18.840   2.791
  289    HD3  ARG  37           HD1      ARG  37  16.892  18.633   2.084
  290    HE   ARG  37           HE       ARG  37  15.205  19.778   0.142
  291   HH11  ARG  37          HH21      ARG  37  16.646  20.483   3.207
  292   HH12  ARG  37          HH22      ARG  37  16.733  22.191   2.930
  293   HH21  ARG  37          HH11      ARG  37  15.316  22.014  -0.230
  294   HH22  ARG  37          HH12      ARG  37  15.979  23.057   0.982
  295    H    CYS  38           HN       CYS  38  12.009  14.140   1.035
  296    HA   CYS  38           HA       CYS  38   9.392  15.508   0.720
  297    HB2  CYS  38           HB2      CYS  38  10.037  12.559   0.551
  298    HB3  CYS  38           HB1      CYS  38   8.449  13.281   0.327
  299    HG   CYS  38           HG       CYS  38  10.671  14.313  -1.568
  300    H    ASN  39           HN       ASN  39   8.066  15.649   2.400
  301    HA   ASN  39           HA       ASN  39   8.871  14.286   4.929
  302    HB2  ASN  39           HB2      ASN  39   7.431  16.898   4.460
  303    HB3  ASN  39           HB1      ASN  39   7.541  16.113   6.033
  304   HD21  ASN  39          HD21      ASN  39   8.731  18.680   5.543
  305   HD22  ASN  39          HD22      ASN  39  10.416  18.506   5.635
  306    H    VAL  40           HN       VAL  40   7.209  13.466   6.286
  307    HA   VAL  40           HA       VAL  40   4.657  12.880   4.872
  308    HB   VAL  40           HB       VAL  40   5.954  10.853   4.961
  309   HG11  VAL  40          HG11      VAL  40   7.050  10.051   6.891
  310   HG12  VAL  40          HG12      VAL  40   6.156  11.119   7.966
  311   HG13  VAL  40          HG13      VAL  40   7.407  11.771   6.914
  312   HG21  VAL  40          HG21      VAL  40   3.479  10.864   5.646
  313   HG22  VAL  40          HG22      VAL  40   4.050  10.706   7.307
  314   HG23  VAL  40          HG23      VAL  40   4.420   9.451   6.123
  315    H    THR  41           HN       THR  41   3.000  13.775   5.810
  316    HA   THR  41           HA       THR  41   3.156  14.548   8.667
  317    HB   THR  41           HB       THR  41   1.152  15.286   6.531
  318    HG1  THR  41           HG1      THR  41   2.782  16.533   6.059
  319   HG21  THR  41          HG21      THR  41   1.449  16.062   9.433
  320   HG22  THR  41          HG22      THR  41   0.033  15.379   8.636
  321   HG23  THR  41          HG23      THR  41   0.533  17.033   8.281
  322    H    PHE  42           HN       PHE  42   2.234  13.338  10.179
  323    HA   PHE  42           HA       PHE  42  -0.244  11.884   9.554
  324    HB2  PHE  42           HB2      PHE  42   1.996  10.459   9.294
  325    HB3  PHE  42           HB1      PHE  42   1.907  10.386  11.052
  326    HD1  PHE  42           HD1      PHE  42  -0.408  10.107   8.127
  327    HD2  PHE  42           HD2      PHE  42   0.736   8.567  11.950
  328    HE1  PHE  42           HE1      PHE  42  -2.163   8.374   7.929
  329    HE2  PHE  42           HE2      PHE  42  -1.009   6.810  11.759
  330    HZ   PHE  42           HZ       PHE  42  -2.457   6.718   9.763
  331    H    CYS  43           HN       CYS  43  -1.629  11.815  11.259
  332    HA   CYS  43           HA       CYS  43  -2.534  12.518  13.252
  333    HB2  CYS  43           HB2      CYS  43  -1.405  10.413  13.901
  334    HB3  CYS  43           HB1      CYS  43   0.050  11.329  14.292
  335    HG   CYS  43           HG       CYS  43  -2.140  12.577  15.843
  336    H    GLY  44           HN       GLY  44  -1.053  14.534  11.869
  337    HA2  GLY  44           HA2      GLY  44  -0.431  16.722  12.265
  338    HA3  GLY  44           HA1      GLY  44  -0.792  16.452  13.968
  339    H    GLN  45           HN       GLN  45   1.480  14.519  12.117
  340    HA   GLN  45           HA       GLN  45   3.758  15.844  13.465
  341    HB2  GLN  45           HB2      GLN  45   3.287  12.860  13.365
  342    HB3  GLN  45           HB1      GLN  45   4.708  13.675  14.029
  343    HG2  GLN  45           HG2      GLN  45   1.875  14.068  15.023
  344    HG3  GLN  45           HG1      GLN  45   3.075  13.034  15.795
  345   HE21  GLN  45          HE21      GLN  45   1.709  15.903  16.334
  346   HE22  GLN  45          HE22      GLN  45   3.032  16.793  16.918
  347    H    THR  46           HN       THR  46   5.302  16.342  12.077
  348    HA   THR  46           HA       THR  46   5.331  14.984   9.451
  349    HB   THR  46           HB       THR  46   6.341  16.957   8.559
  350    HG1  THR  46           HG1      THR  46   6.303  18.423  10.866
  351   HG21  THR  46          HG21      THR  46   4.643  18.637   9.039
  352   HG22  THR  46          HG22      THR  46   4.215  17.817  10.541
  353   HG23  THR  46          HG23      THR  46   3.885  17.045   8.991
  354    H    PHE  47           HN       PHE  47   6.725  13.341   9.488
  355    HA   PHE  47           HA       PHE  47   9.248  13.577  10.960
  356    HB2  PHE  47           HB2      PHE  47   7.860  11.293   9.561
  357    HB3  PHE  47           HB1      PHE  47   9.514  11.170  10.159
  358    HD1  PHE  47           HD1      PHE  47   6.029  11.952  11.192
  359    HD2  PHE  47           HD2      PHE  47   9.966  10.814  12.460
  360    HE1  PHE  47           HE1      PHE  47   5.167  11.502  13.480
  361    HE2  PHE  47           HE2      PHE  47   9.111  10.386  14.748
  362    HZ   PHE  47           HZ       PHE  47   6.710  10.733  15.259
  363    H    GLN  48           HN       GLN  48  11.244  13.639  10.008
  364    HA   GLN  48           HA       GLN  48  11.474  13.421   7.091
  365    HB2  GLN  48           HB2      GLN  48  10.938  15.806   7.534
  366    HB3  GLN  48           HB1      GLN  48  12.352  15.904   8.583
  367    HG2  GLN  48           HG2      GLN  48  13.835  15.392   6.743
  368    HG3  GLN  48           HG1      GLN  48  12.471  15.063   5.677
  369   HE21  GLN  48          HE21      GLN  48  14.409  17.054   5.006
  370   HE22  GLN  48          HE22      GLN  48  13.660  18.576   5.081
  371    H    SER  49           HN       SER  49  13.603  13.069   6.375
  372    HA   SER  49           HA       SER  49  15.354  11.932   8.421
  373    HB2  SER  49           HB2      SER  49  15.309  11.851   5.413
  374    HB3  SER  49           HB1      SER  49  16.705  11.286   6.327
  375    HG   SER  49           HG       SER  49  14.039  10.343   6.371
  376    H    SER  50           HN       SER  50  17.669  12.396   8.389
  377    HA   SER  50           HA       SER  50  18.142  15.269   8.205
  378    HB2  SER  50           HB2      SER  50  20.195  14.808   9.388
  379    HB3  SER  50           HB1      SER  50  18.894  13.916  10.168
  380    HG   SER  50           HG       SER  50  21.140  12.977   9.122
  381    H    GLU  51           HN       GLU  51  18.432  12.635   6.162
  382    HA   GLU  51           HA       GLU  51  20.473  14.033   4.515
  383    HB2  GLU  51           HB2      GLU  51  21.097  11.717   3.699
  384    HB3  GLU  51           HB1      GLU  51  21.575  12.094   5.355
  385    HG2  GLU  51           HG2      GLU  51  19.576  10.929   6.202
  386    HG3  GLU  51           HG1      GLU  51  19.088  10.556   4.552
  387    H    PHE  52           HN       PHE  52  19.894  14.445   2.518
  388    HA   PHE  52           HA       PHE  52  17.228  13.765   1.614
  389    HB2  PHE  52           HB2      PHE  52  18.720  14.973  -0.516
  390    HB3  PHE  52           HB1      PHE  52  17.497  15.722   0.505
  391    HD1  PHE  52           HD2      PHE  52  18.201  16.606   2.762
  392    HD2  PHE  52           HD1      PHE  52  20.966  15.538  -0.297
  393    HE1  PHE  52           HE2      PHE  52  19.953  18.019   3.881
  394    HE2  PHE  52           HE1      PHE  52  22.743  16.933   0.792
  395    HZ   PHE  52           HZ       PHE  52  22.225  18.170   2.883
  396    H    PHE  53           HN       PHE  53  16.708  12.601  -0.175
  397    HA   PHE  53           HA       PHE  53  18.639  10.527  -0.897
  398    HB2  PHE  53           HB2      PHE  53  15.835  10.307  -1.881
  399    HB3  PHE  53           HB1      PHE  53  16.898   9.068  -1.212
  400    HD1  PHE  53           HD1      PHE  53  14.955  12.107  -0.266
  401    HD2  PHE  53           HD2      PHE  53  16.728   8.442   1.051
  402    HE1  PHE  53           HE1      PHE  53  13.866  12.394   1.931
  403    HE2  PHE  53           HE2      PHE  53  15.660   8.752   3.236
  404    HZ   PHE  53           HZ       PHE  53  14.216  10.693   3.702
  405    HA   PRO  54           HA       PRO  54  19.151  12.185  -4.965
  406    HB2  PRO  54           HB2      PRO  54  20.001   9.979  -6.321
  407    HB3  PRO  54           HB1      PRO  54  20.996  10.794  -5.099
  408    HG2  PRO  54           HG2      PRO  54  19.376   8.297  -4.861
  409    HG3  PRO  54           HG1      PRO  54  20.968   8.681  -4.180
  410    HD2  PRO  54           HD2      PRO  54  18.608   8.802  -2.746
  411    HD3  PRO  54           HD1      PRO  54  20.077   9.718  -2.344
  412    H    THR  55           HN       THR  55  16.690  10.037  -4.213
  413    HA   THR  55           HA       THR  55  15.434  10.411  -6.876
  414    HB   THR  55           HB       THR  55  14.313   8.076  -6.116
  415    HG1  THR  55           HG1      THR  55  16.871   7.464  -5.341
  416   HG21  THR  55          HG21      THR  55  15.381   8.333  -8.240
  417   HG22  THR  55          HG22      THR  55  16.115   6.932  -7.459
  418   HG23  THR  55          HG23      THR  55  16.972   8.474  -7.493
  419    H    LEU  56           HN       LEU  56  13.195  10.554  -6.902
  420    HA   LEU  56           HA       LEU  56  12.124  12.019  -4.717
  421    HB2  LEU  56           HB2      LEU  56  11.512  11.929  -7.319
  422    HB3  LEU  56           HB1      LEU  56  10.262  10.840  -6.726
  423    HG   LEU  56           HG       LEU  56  10.788  13.650  -5.714
  424   HD11  LEU  56          HD11      LEU  56   8.522  12.492  -7.334
  425   HD12  LEU  56          HD12      LEU  56   9.764  13.596  -7.923
  426   HD13  LEU  56          HD13      LEU  56   8.602  14.139  -6.715
  427   HD21  LEU  56          HD21      LEU  56   8.840  11.477  -4.906
  428   HD22  LEU  56          HD22      LEU  56   8.543  13.177  -4.541
  429   HD23  LEU  56          HD23      LEU  56   9.961  12.367  -3.875
  430    H    LYS  57           HN       LYS  57  10.772   8.994  -6.131
  431    HA   LYS  57           HA       LYS  57   9.082   8.388  -4.081
  432    HB2  LYS  57           HB2      LYS  57  10.654   6.534  -5.893
  433    HB3  LYS  57           HB1      LYS  57   9.302   6.029  -4.884
  434    HG2  LYS  57           HG2      LYS  57   7.794   7.540  -6.052
  435    HG3  LYS  57           HG1      LYS  57   9.129   8.206  -6.984
  436    HD2  LYS  57           HD2      LYS  57   8.108   6.627  -8.441
  437    HD3  LYS  57           HD1      LYS  57   9.542   5.811  -7.821
  438    HE2  LYS  57           HE2      LYS  57   8.261   4.515  -6.279
  439    HE3  LYS  57           HE1      LYS  57   6.828   5.511  -6.515
  440    HZ1  LYS  57           HZ1      LYS  57   8.035   3.552  -8.353
  441    HZ2  LYS  57           HZ2      LYS  57   7.005   4.775  -8.931
  442    HZ3  LYS  57           HZ3      LYS  57   6.435   3.646  -7.796
  443    H    SER  58           HN       SER  58  12.529   7.691  -4.347
  444    HA   SER  58           HA       SER  58  12.827   5.889  -2.243
  445    HB2  SER  58           HB2      SER  58  15.150   6.711  -2.111
  446    HB3  SER  58           HB1      SER  58  14.639   6.446  -3.775
  447    HG   SER  58           HG       SER  58  15.733   8.522  -3.211
  448    H    ALA  59           HN       ALA  59  12.387   9.374  -2.212
  449    HA   ALA  59           HA       ALA  59  13.081   9.745   0.529
  450    HB1  ALA  59           HB1      ALA  59  12.991  11.529  -1.295
  451    HB2  ALA  59           HB2      ALA  59  12.277  11.971   0.254
  452    HB3  ALA  59           HB3      ALA  59  11.247  11.496  -1.094
  453    H    GLU  60           HN       GLU  60  10.048   9.212  -1.205
  454    HA   GLU  60           HA       GLU  60   8.312   9.578   1.019
  455    HB2  GLU  60           HB2      GLU  60   7.993   7.978  -1.532
  456    HB3  GLU  60           HB1      GLU  60   6.698   8.247  -0.365
  457    HG2  GLU  60           HG2      GLU  60   6.901  10.671  -0.653
  458    HG3  GLU  60           HG1      GLU  60   8.253  10.443  -1.761
  459    H    HIS  61           HN       HIS  61  10.015   6.752  -0.270
  460    HA   HIS  61           HA       HIS  61   8.767   4.813   1.369
  461    HB2  HIS  61           HB2      HIS  61  11.570   4.774   0.221
  462    HB3  HIS  61           HB1      HIS  61  10.641   3.380   0.768
  463    HD2  HIS  61           HD2      HIS  61   7.773   4.373  -0.767
  464    HE1  HIS  61           HE1      HIS  61  10.110   3.929  -4.254
  465    HE2  HIS  61           HE2      HIS  61   7.738   4.121  -3.366
  466    H    ALA  62           HN       ALA  62  11.887   6.504   1.732
  467    HA   ALA  62           HA       ALA  62  12.470   5.404   4.284
  468    HB1  ALA  62           HB1      ALA  62  13.525   7.770   2.749
  469    HB2  ALA  62           HB2      ALA  62  14.324   6.237   3.095
  470    HB3  ALA  62           HB3      ALA  62  14.080   7.414   4.385
  471    H    ALA  63           HN       ALA  63  10.760   8.276   3.210
  472    HA   ALA  63           HA       ALA  63  10.668   9.702   5.614
  473    HB1  ALA  63           HB1      ALA  63   8.540  10.675   4.678
  474    HB2  ALA  63           HB2      ALA  63   8.667   9.517   3.353
  475    HB3  ALA  63           HB3      ALA  63   9.916  10.741   3.578
  476    H    ALA  64           HN       ALA  64   8.436   7.240   4.348
  477    HA   ALA  64           HA       ALA  64   6.704   7.300   6.609
  478    HB1  ALA  64           HB1      ALA  64   5.997   5.002   5.635
  479    HB2  ALA  64           HB2      ALA  64   7.093   5.408   4.313
  480    HB3  ALA  64           HB3      ALA  64   5.718   6.447   4.662
  481    H    LYS  65           HN       LYS  65   9.600   5.486   5.779
  482    HA   LYS  65           HA       LYS  65   9.457   3.381   7.573
  483    HB2  LYS  65           HB2      LYS  65  11.232   3.692   5.845
  484    HB3  LYS  65           HB1      LYS  65  11.940   4.956   6.852
  485    HG2  LYS  65           HG2      LYS  65  12.281   3.360   8.674
  486    HG3  LYS  65           HG1      LYS  65  11.506   2.088   7.731
  487    HD2  LYS  65           HD2      LYS  65  13.264   2.300   6.005
  488    HD3  LYS  65           HD1      LYS  65  14.047   3.557   6.964
  489    HE2  LYS  65           HE2      LYS  65  14.359   1.960   8.816
  490    HE3  LYS  65           HE1      LYS  65  13.567   0.702   7.868
  491    HZ1  LYS  65           HZ1      LYS  65  15.690   1.999   6.448
  492    HZ2  LYS  65           HZ2      LYS  65  15.405   0.343   6.697
  493    HZ3  LYS  65           HZ3      LYS  65  16.228   1.252   7.873
  494    H    ILE  66           HN       ILE  66  10.697   6.668   8.123
  495    HA   ILE  66           HA       ILE  66  11.330   6.171  10.868
  496    HB   ILE  66           HB       ILE  66  11.557   8.684  10.934
  497   HG12  ILE  66          HG12      ILE  66  11.005   8.429   7.976
  498   HG13  ILE  66          HG11      ILE  66   9.861   9.094   9.144
  499   HG21  ILE  66          HG21      ILE  66  13.447   7.176  10.398
  500   HG22  ILE  66          HG22      ILE  66  13.557   8.696   9.509
  501   HG23  ILE  66          HG23      ILE  66  12.994   7.236   8.694
  502   HD11  ILE  66          HD11      ILE  66  11.776  10.704   9.798
  503   HD12  ILE  66          HD12      ILE  66  10.970  10.988   8.256
  504   HD13  ILE  66          HD13      ILE  66  12.541  10.189   8.296
  505    H    ALA  67           HN       ALA  67   8.577   7.421   9.117
  506    HA   ALA  67           HA       ALA  67   7.204   8.495  11.370
  507    HB1  ALA  67           HB1      ALA  67   6.747   9.051   8.952
  508    HB2  ALA  67           HB2      ALA  67   5.313   8.709   9.917
  509    HB3  ALA  67           HB3      ALA  67   5.945   7.487   8.816
  510    H    VAL  68           HN       VAL  68   6.821   5.450   9.592
  511    HA   VAL  68           HA       VAL  68   4.784   4.389  11.229
  512    HB   VAL  68           HB       VAL  68   5.376   3.574   8.929
  513   HG11  VAL  68          HG11      VAL  68   7.250   2.121   8.618
  514   HG12  VAL  68          HG12      VAL  68   7.572   2.053  10.350
  515   HG13  VAL  68          HG13      VAL  68   7.860   3.540   9.458
  516   HG21  VAL  68          HG21      VAL  68   5.347   1.530  11.172
  517   HG22  VAL  68          HG22      VAL  68   4.979   1.183   9.483
  518   HG23  VAL  68          HG23      VAL  68   3.931   2.255  10.411
  519    H    ALA  69           HN       ALA  69   8.276   4.407  11.476
  520    HA   ALA  69           HA       ALA  69   8.479   2.373  13.467
  521    HB1  ALA  69           HB1      ALA  69  10.362   3.151  11.998
  522    HB2  ALA  69           HB2      ALA  69  10.761   3.100  13.714
  523    HB3  ALA  69           HB3      ALA  69  10.406   4.643  12.936
  524    H    SER  70           HN       SER  70   7.815   5.794  13.508
  525    HA   SER  70           HA       SER  70   8.372   6.234  16.274
  526    HB2  SER  70           HB2      SER  70   6.491   7.792  14.494
  527    HB3  SER  70           HB1      SER  70   7.250   8.349  15.980
  528    HG   SER  70           HG       SER  70   8.393   7.822  13.458
  529    H    LEU  71           HN       LEU  71   5.483   5.380  14.446
  530    HA   LEU  71           HA       LEU  71   3.654   5.553  16.620
  531    HB2  LEU  71           HB2      LEU  71   3.406   3.809  14.161
  532    HB3  LEU  71           HB1      LEU  71   2.099   4.398  15.190
  533    HG   LEU  71           HG       LEU  71   3.961   6.142  13.550
  534   HD11  LEU  71          HD11      LEU  71   2.328   4.864  12.191
  535   HD12  LEU  71          HD12      LEU  71   1.964   6.590  12.189
  536   HD13  LEU  71          HD13      LEU  71   1.019   5.489  13.194
  537   HD21  LEU  71          HD21      LEU  71   1.763   6.708  15.536
  538   HD22  LEU  71          HD22      LEU  71   2.061   7.838  14.214
  539   HD23  LEU  71          HD23      LEU  71   3.340   7.480  15.371
  540    H    THR  72           HN       THR  72   5.846   3.087  15.502
  541    HA   THR  72           HA       THR  72   6.317   0.962  16.261
  542    HB   THR  72           HB       THR  72   6.422   0.752  18.708
  543    HG1  THR  72           HG1      THR  72   5.541   2.335  19.985
  544   HG21  THR  72          HG21      THR  72   7.868   2.714  19.134
  545   HG22  THR  72          HG22      THR  72   7.237   3.482  17.678
  546   HG23  THR  72          HG23      THR  72   8.190   2.003  17.553
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  11.253   1.640  -4.462
    2    H2   MET   1           HT2      MET   1  12.418   1.518  -5.692
    3    H3   MET   1           HT3      MET   1  12.898   1.825  -4.093
    4    HA   MET   1           HA       MET   1  11.684  -0.675  -5.134
    5    HB2  MET   1           HB2      MET   1  14.427   0.029  -4.052
    6    HB3  MET   1           HB1      MET   1  13.883  -1.619  -4.362
    7    HG2  MET   1           HG2      MET   1  13.457  -1.008  -6.732
    8    HG3  MET   1           HG1      MET   1  14.086   0.606  -6.411
    9    HE1  MET   1           HE1      MET   1  17.742   0.319  -5.904
   10    HE2  MET   1           HE2      MET   1  16.730   0.085  -4.483
   11    HE3  MET   1           HE3      MET   1  16.235   1.227  -5.730
   12    H    ASP   2           HN       ASP   2  11.186  -2.239  -3.577
   13    HA   ASP   2           HA       ASP   2  10.335  -2.979  -1.574
   14    HB2  ASP   2           HB2      ASP   2  12.708  -1.359  -0.641
   15    HB3  ASP   2           HB1      ASP   2  11.711  -2.308   0.458
   16    H    HIS   3           HN       HIS   3   9.191  -0.586  -2.733
   17    HA   HIS   3           HA       HIS   3   8.687   1.325  -0.655
   18    HB2  HIS   3           HB2      HIS   3   8.525   1.723  -3.170
   19    HB3  HIS   3           HB1      HIS   3   6.991   0.862  -3.106
   20    HD2  HIS   3           HD2      HIS   3   5.396   3.181  -3.464
   21    HE1  HIS   3           HE1      HIS   3   6.672   5.156   0.042
   22    HE2  HIS   3           HE2      HIS   3   4.998   5.209  -1.867
   23    H    VAL   4           HN       VAL   4   8.192  -0.770   0.773
   24    HA   VAL   4           HA       VAL   4   5.390  -1.575   0.581
   25    HB   VAL   4           HB       VAL   4   6.021  -3.048   2.487
   26   HG11  VAL   4          HG11      VAL   4   7.546  -4.495   1.128
   27   HG12  VAL   4          HG12      VAL   4   7.730  -3.156  -0.003
   28   HG13  VAL   4          HG13      VAL   4   6.151  -3.908   0.223
   29   HG21  VAL   4          HG21      VAL   4   7.873  -1.499   3.300
   30   HG22  VAL   4          HG22      VAL   4   8.840  -2.097   1.951
   31   HG23  VAL   4          HG23      VAL   4   8.307  -3.208   3.211
   32    H    TYR   5           HN       TYR   5   7.323   0.763   2.172
   33    HA   TYR   5           HA       TYR   5   6.076   0.991   4.660
   34    HB2  TYR   5           HB2      TYR   5   7.039   3.345   3.039
   35    HB3  TYR   5           HB1      TYR   5   7.074   3.126   4.791
   36    HD1  TYR   5           HD1      TYR   5   8.580   2.018   1.580
   37    HD2  TYR   5           HD2      TYR   5   8.823   1.918   5.856
   38    HE1  TYR   5           HE1      TYR   5  10.857   1.044   1.428
   39    HE2  TYR   5           HE2      TYR   5  11.092   0.936   5.715
   40    HH   TYR   5           HH       TYR   5  12.996   0.962   3.936
   41    H    LYS   6           HN       LYS   6   5.263   2.491   1.540
   42    HA   LYS   6           HA       LYS   6   3.168   4.128   2.430
   43    HB2  LYS   6           HB2      LYS   6   4.188   4.237   0.164
   44    HB3  LYS   6           HB1      LYS   6   3.391   2.719  -0.246
   45    HG2  LYS   6           HG2      LYS   6   1.196   3.744   0.147
   46    HG3  LYS   6           HG1      LYS   6   1.971   5.258   0.620
   47    HD2  LYS   6           HD2      LYS   6   2.985   5.432  -1.631
   48    HD3  LYS   6           HD1      LYS   6   2.181   3.933  -2.101
   49    HE2  LYS   6           HE2      LYS   6  -0.012   4.959  -1.704
   50    HE3  LYS   6           HE1      LYS   6   0.767   6.450  -1.175
   51    HZ1  LYS   6           HZ1      LYS   6   0.996   7.091  -3.268
   52    HZ2  LYS   6           HZ2      LYS   6   0.080   5.745  -3.754
   53    HZ3  LYS   6           HZ3      LYS   6   1.775   5.645  -3.694
   54    H    GLY   7           HN       GLY   7   3.174   0.756   1.332
   55    HA2  GLY   7           HA2      GLY   7   0.359   0.378   1.514
   56    HA3  GLY   7           HA1      GLY   7   1.572  -0.894   1.441
   57    H    GLN   8           HN       GLN   8   2.972   0.223   3.839
   58    HA   GLN   8           HA       GLN   8   1.481  -1.240   5.812
   59    HB2  GLN   8           HB2      GLN   8   3.991  -1.229   5.653
   60    HB3  GLN   8           HB1      GLN   8   3.959   0.443   6.208
   61    HG2  GLN   8           HG2      GLN   8   4.339  -0.975   8.131
   62    HG3  GLN   8           HG1      GLN   8   2.702  -0.336   8.247
   63   HE21  GLN   8          HE21      GLN   8   1.678  -2.090   9.333
   64   HE22  GLN   8          HE22      GLN   8   1.594  -3.659   8.689
   65    H    LEU   9           HN       LEU   9   2.500   2.134   5.441
   66    HA   LEU   9           HA       LEU   9   1.206   3.102   7.752
   67    HB2  LEU   9           HB2      LEU   9   2.975   4.374   6.596
   68    HB3  LEU   9           HB1      LEU   9   1.895   4.596   5.223
   69    HG   LEU   9           HG       LEU   9   0.301   5.821   6.681
   70   HD11  LEU   9          HD11      LEU   9   2.320   5.075   8.782
   71   HD12  LEU   9          HD12      LEU   9   0.559   5.042   8.865
   72   HD13  LEU   9          HD13      LEU   9   1.412   6.578   8.952
   73   HD21  LEU   9          HD21      LEU   9   3.168   6.807   6.650
   74   HD22  LEU   9          HD22      LEU   9   1.798   7.824   7.097
   75   HD23  LEU   9          HD23      LEU   9   1.905   7.153   5.470
   76    H    GLN  10           HN       GLN  10   0.167   2.819   4.424
   77    HA   GLN  10           HA       GLN  10  -2.235   4.197   4.783
   78    HB2  GLN  10           HB2      GLN  10  -1.306   3.656   2.571
   79    HB3  GLN  10           HB1      GLN  10  -1.623   1.946   2.860
   80    HG2  GLN  10           HG2      GLN  10  -4.012   2.344   2.955
   81    HG3  GLN  10           HG1      GLN  10  -3.765   4.088   2.864
   82   HE21  GLN  10          HE21      GLN  10  -2.519   1.267   0.960
   83   HE22  GLN  10          HE22      GLN  10  -2.899   1.946  -0.549
   84    H    ALA  11           HN       ALA  11  -1.412   0.790   5.184
   85    HA   ALA  11           HA       ALA  11  -4.057  -0.095   5.730
   86    HB1  ALA  11           HB1      ALA  11  -1.344  -1.262   6.352
   87    HB2  ALA  11           HB2      ALA  11  -2.442  -1.719   5.049
   88    HB3  ALA  11           HB3      ALA  11  -2.858  -2.089   6.722
   89    H    TYR  12           HN       TYR  12  -1.407   1.077   7.744
   90    HA   TYR  12           HA       TYR  12  -2.476   0.406  10.260
   91    HB2  TYR  12           HB2      TYR  12  -0.159   1.106  10.007
   92    HB3  TYR  12           HB1      TYR  12  -0.672   2.703   9.460
   93    HD1  TYR  12           HD1      TYR  12  -0.572   0.390  12.350
   94    HD2  TYR  12           HD2      TYR  12  -1.450   4.377  11.014
   95    HE1  TYR  12           HE1      TYR  12  -0.705   1.149  14.706
   96    HE2  TYR  12           HE2      TYR  12  -1.582   5.136  13.373
   97    HH   TYR  12           HH       TYR  12  -2.118   3.450  15.817
   98    H    ALA  13           HN       ALA  13  -2.663   3.477   8.441
   99    HA   ALA  13           HA       ALA  13  -4.260   4.866  10.264
  100    HB1  ALA  13           HB1      ALA  13  -4.702   5.359   7.346
  101    HB2  ALA  13           HB2      ALA  13  -3.062   5.549   7.949
  102    HB3  ALA  13           HB3      ALA  13  -4.372   6.508   8.643
  103    H    LEU  14           HN       LEU  14  -5.203   2.921   7.434
  104    HA   LEU  14           HA       LEU  14  -7.982   3.299   7.712
  105    HB2  LEU  14           HB2      LEU  14  -6.925   2.407   5.661
  106    HB3  LEU  14           HB1      LEU  14  -6.498   0.940   6.530
  107    HG   LEU  14           HG       LEU  14  -8.954   0.567   6.982
  108   HD11  LEU  14          HD11      LEU  14  -9.994   2.661   6.764
  109   HD12  LEU  14          HD12      LEU  14 -10.441   1.851   5.268
  110   HD13  LEU  14          HD13      LEU  14  -9.138   3.039   5.270
  111   HD21  LEU  14          HD21      LEU  14  -7.864  -0.638   5.189
  112   HD22  LEU  14          HD22      LEU  14  -8.023   0.745   4.106
  113   HD23  LEU  14          HD23      LEU  14  -9.459  -0.133   4.632
  114    H    GLN  15           HN       GLN  15  -5.816   0.768   8.942
  115    HA   GLN  15           HA       GLN  15  -7.841  -0.817  10.114
  116    HB2  GLN  15           HB2      GLN  15  -5.516  -1.586   9.644
  117    HB3  GLN  15           HB1      GLN  15  -4.949  -0.575  10.971
  118    HG2  GLN  15           HG2      GLN  15  -5.236  -2.837  11.799
  119    HG3  GLN  15           HG1      GLN  15  -6.490  -1.829  12.508
  120   HE21  GLN  15          HE21      GLN  15  -8.082  -3.510  12.748
  121   HE22  GLN  15          HE22      GLN  15  -8.782  -4.294  11.415
  122    H    HIS  16           HN       HIS  16  -5.862   1.836  11.356
  123    HA   HIS  16           HA       HIS  16  -7.109   1.675  13.993
  124    HB2  HIS  16           HB2      HIS  16  -4.950   3.440  12.826
  125    HB3  HIS  16           HB1      HIS  16  -5.591   3.649  14.456
  126    HD2  HIS  16           HD2      HIS  16  -4.450   1.955  16.339
  127    HE1  HIS  16           HE1      HIS  16  -2.543  -0.686  13.653
  128    HE2  HIS  16           HE2      HIS  16  -2.843  -0.089  16.103
  129    H    ASN  17           HN       ASN  17  -7.988   2.930  11.072
  130    HA   ASN  17           HA       ASN  17  -9.528   4.507  10.411
  131    HB2  ASN  17           HB2      ASN  17 -10.859   3.321  12.188
  132    HB3  ASN  17           HB1      ASN  17 -10.333   4.561  13.325
  133   HD21  ASN  17          HD21      ASN  17 -13.054   4.420  12.905
  134   HD22  ASN  17          HD22      ASN  17 -13.575   5.715  11.940
  135    H    LEU  18           HN       LEU  18  -7.369   5.765  10.284
  136    HA   LEU  18           HA       LEU  18  -7.643   8.260  11.873
  137    HB2  LEU  18           HB2      LEU  18  -5.075   6.920  10.995
  138    HB3  LEU  18           HB1      LEU  18  -5.193   8.458  11.845
  139    HG   LEU  18           HG       LEU  18  -6.250   5.823  12.911
  140   HD11  LEU  18          HD11      LEU  18  -3.771   5.872  12.713
  141   HD12  LEU  18          HD12      LEU  18  -4.308   5.822  14.390
  142   HD13  LEU  18          HD13      LEU  18  -3.739   7.340  13.692
  143   HD21  LEU  18          HD21      LEU  18  -7.474   7.474  14.039
  144   HD22  LEU  18          HD22      LEU  18  -6.161   8.647  13.965
  145   HD23  LEU  18          HD23      LEU  18  -6.078   7.303  15.098
  146    H    GLU  19           HN       GLU  19  -7.107  10.183  10.803
  147    HA   GLU  19           HA       GLU  19  -7.970  10.539   8.231
  148    HB2  GLU  19           HB2      GLU  19  -7.466  12.376   9.830
  149    HB3  GLU  19           HB1      GLU  19  -5.744  12.115   9.550
  150    HG2  GLU  19           HG2      GLU  19  -6.032  12.618   7.168
  151    HG3  GLU  19           HG1      GLU  19  -7.767  12.820   7.404
  152    H    LEU  20           HN       LEU  20  -7.227  10.068   6.274
  153    HA   LEU  20           HA       LEU  20  -5.209   8.333   5.755
  154    HB2  LEU  20           HB2      LEU  20  -5.123   9.434   3.425
  155    HB3  LEU  20           HB1      LEU  20  -6.651   8.751   3.964
  156    HG   LEU  20           HG       LEU  20  -6.276  11.587   4.776
  157   HD11  LEU  20          HD11      LEU  20  -6.866  12.413   2.446
  158   HD12  LEU  20          HD12      LEU  20  -6.361  10.834   1.842
  159   HD13  LEU  20          HD13      LEU  20  -5.199  11.880   2.660
  160   HD21  LEU  20          HD21      LEU  20  -8.580  11.761   4.199
  161   HD22  LEU  20          HD22      LEU  20  -8.403  10.142   4.877
  162   HD23  LEU  20          HD23      LEU  20  -8.503  10.362   3.130
  163    HA   PRO  21           HA       PRO  21  -1.433  10.612   6.398
  164    HB2  PRO  21           HB2      PRO  21   0.281   9.197   4.778
  165    HB3  PRO  21           HB1      PRO  21  -0.289   8.594   6.334
  166    HG2  PRO  21           HG2      PRO  21  -1.225   7.909   3.592
  167    HG3  PRO  21           HG1      PRO  21  -1.018   6.862   5.011
  168    HD2  PRO  21           HD2      PRO  21  -3.470   7.818   4.195
  169    HD3  PRO  21           HD1      PRO  21  -3.091   7.417   5.890
  170    H    VAL  22           HN       VAL  22  -0.063  12.126   5.416
  171    HA   VAL  22           HA       VAL  22  -0.591  12.764   2.570
  172    HB   VAL  22           HB       VAL  22  -0.534  14.682   4.912
  173   HG11  VAL  22          HG11      VAL  22  -0.346  15.182   1.940
  174   HG12  VAL  22          HG12      VAL  22   0.710  15.791   3.215
  175   HG13  VAL  22          HG13      VAL  22  -0.935  16.410   3.061
  176   HG21  VAL  22          HG21      VAL  22  -2.777  15.248   4.212
  177   HG22  VAL  22          HG22      VAL  22  -2.688  13.494   4.374
  178   HG23  VAL  22          HG23      VAL  22  -2.633  14.237   2.776
  179    H    TYR  23           HN       TYR  23   1.148  13.003   1.414
  180    HA   TYR  23           HA       TYR  23   3.789  13.187   2.704
  181    HB2  TYR  23           HB2      TYR  23   2.971  12.210  -0.012
  182    HB3  TYR  23           HB1      TYR  23   4.639  12.400   0.528
  183    HD1  TYR  23           HD1      TYR  23   1.402  10.839   1.602
  184    HD2  TYR  23           HD2      TYR  23   5.678  10.651   1.638
  185    HE1  TYR  23           HE1      TYR  23   1.295   8.642   2.749
  186    HE2  TYR  23           HE2      TYR  23   5.591   8.457   2.776
  187    HH   TYR  23           HH       TYR  23   3.279   6.497   2.802
  188    H    ALA  24           HN       ALA  24   5.357  14.573   1.879
  189    HA   ALA  24           HA       ALA  24   4.330  16.885   0.312
  190    HB1  ALA  24           HB1      ALA  24   5.569  18.377   1.618
  191    HB2  ALA  24           HB2      ALA  24   6.635  17.113   2.226
  192    HB3  ALA  24           HB3      ALA  24   4.983  17.232   2.825
  193    H    ASN  25           HN       ASN  25   5.661  17.689  -1.321
  194    HA   ASN  25           HA       ASN  25   8.071  16.059  -1.951
  195    HB2  ASN  25           HB2      ASN  25   6.056  17.313  -3.832
  196    HB3  ASN  25           HB1      ASN  25   7.529  16.481  -4.328
  197   HD21  ASN  25          HD21      ASN  25   7.238  14.452  -2.113
  198   HD22  ASN  25          HD22      ASN  25   5.989  13.421  -2.622
  199    H    GLU  26           HN       GLU  26   9.899  17.159  -2.039
  200    HA   GLU  26           HA       GLU  26   9.878  20.002  -2.874
  201    HB2  GLU  26           HB2      GLU  26  11.325  18.870  -0.469
  202    HB3  GLU  26           HB1      GLU  26  11.617  20.467  -1.137
  203    HG2  GLU  26           HG2      GLU  26   9.299  21.103  -0.743
  204    HG3  GLU  26           HG1      GLU  26   8.921  19.478  -0.175
  205    H    ARG  27           HN       ARG  27  11.208  20.288  -4.525
  206    HA   ARG  27           HA       ARG  27  13.535  18.465  -4.852
  207    HB2  ARG  27           HB2      ARG  27  11.702  17.994  -6.491
  208    HB3  ARG  27           HB1      ARG  27  11.849  19.656  -7.068
  209    HG2  ARG  27           HG2      ARG  27  14.242  19.236  -7.609
  210    HG3  ARG  27           HG1      ARG  27  14.044  17.563  -7.090
  211    HD2  ARG  27           HD2      ARG  27  13.798  17.595  -9.473
  212    HD3  ARG  27           HD1      ARG  27  12.192  17.362  -8.791
  213    HE   ARG  27           HE       ARG  27  12.663  20.128  -9.167
  214   HH11  ARG  27          HH21      ARG  27  12.107  17.175 -10.882
  215   HH12  ARG  27          HH22      ARG  27  11.359  17.944 -12.241
  216   HH21  ARG  27          HH11      ARG  27  11.686  21.145 -10.948
  217   HH22  ARG  27          HH12      ARG  27  11.120  20.192 -12.278
  218    H    GLU  28           HN       GLU  28  15.315  19.640  -4.501
  219    HA   GLU  28           HA       GLU  28  15.632  22.151  -5.971
  220    HB2  GLU  28           HB2      GLU  28  15.851  21.928  -2.953
  221    HB3  GLU  28           HB1      GLU  28  16.563  23.245  -3.881
  222    HG2  GLU  28           HG2      GLU  28  13.611  22.539  -3.864
  223    HG3  GLU  28           HG1      GLU  28  14.342  23.847  -2.951
  224    H    GLY  29           HN       GLY  29  17.603  22.208  -6.840
  225    HA2  GLY  29           HA2      GLY  29  20.025  21.864  -5.834
  226    HA3  GLY  29           HA1      GLY  29  19.555  20.190  -5.997
  227    HA   PRO  30           HA       PRO  30  21.000  22.511 -10.143
  228    HB2  PRO  30           HB2      PRO  30  23.462  20.904  -9.545
  229    HB3  PRO  30           HB1      PRO  30  23.316  22.471 -10.360
  230    HG2  PRO  30           HG2      PRO  30  24.125  22.240  -7.799
  231    HG3  PRO  30           HG1      PRO  30  23.223  23.642  -8.396
  232    HD2  PRO  30           HD2      PRO  30  22.313  21.493  -6.568
  233    HD3  PRO  30           HD1      PRO  30  21.633  23.115  -6.839
  234    HA   PRO  31           HA       PRO  31  19.881  18.884 -12.481
  235    HB2  PRO  31           HB2      PRO  31  22.308  19.199 -14.205
  236    HB3  PRO  31           HB1      PRO  31  20.598  19.140 -14.668
  237    HG2  PRO  31           HG2      PRO  31  21.988  21.426 -14.681
  238    HG3  PRO  31           HG1      PRO  31  20.269  21.378 -14.248
  239    HD2  PRO  31           HD2      PRO  31  22.648  21.714 -12.462
  240    HD3  PRO  31           HD1      PRO  31  21.004  22.367 -12.304
  241    H    HIS  32           HN       HIS  32  23.431  19.042 -12.063
  242    HA   HIS  32           HA       HIS  32  23.648  16.141 -11.917
  243    HB2  HIS  32           HB2      HIS  32  25.694  18.365 -11.731
  244    HB3  HIS  32           HB1      HIS  32  26.093  16.653 -11.585
  245    HD2  HIS  32           HD2      HIS  32  25.844  15.157 -14.011
  246    HE1  HIS  32           HE1      HIS  32  25.147  18.503 -16.486
  247    HE2  HIS  32           HE2      HIS  32  25.661  16.018 -16.470
  248    H    ALA  33           HN       ALA  33  22.707  18.447  -9.814
  249    HA   ALA  33           HA       ALA  33  23.507  16.801  -7.494
  250    HB1  ALA  33           HB1      ALA  33  25.048  18.782  -7.687
  251    HB2  ALA  33           HB2      ALA  33  24.126  18.718  -6.184
  252    HB3  ALA  33           HB3      ALA  33  23.642  19.821  -7.472
  253    HA   PRO  34           HA       PRO  34  19.054  18.200  -7.405
  254    HB2  PRO  34           HB2      PRO  34  17.791  15.900  -8.065
  255    HB3  PRO  34           HB1      PRO  34  18.432  17.001  -9.302
  256    HG2  PRO  34           HG2      PRO  34  19.557  14.432  -8.289
  257    HG3  PRO  34           HG1      PRO  34  19.550  15.092  -9.935
  258    HD2  PRO  34           HD2      PRO  34  21.736  15.226  -8.172
  259    HD3  PRO  34           HD1      PRO  34  21.505  16.265  -9.596
  260    H    ARG  35           HN       ARG  35  17.761  17.949  -5.567
  261    HA   ARG  35           HA       ARG  35  18.374  15.676  -3.763
  262    HB2  ARG  35           HB2      ARG  35  18.045  18.558  -2.922
  263    HB3  ARG  35           HB1      ARG  35  18.292  17.187  -1.846
  264    HG2  ARG  35           HG2      ARG  35  20.465  16.739  -2.848
  265    HG3  ARG  35           HG1      ARG  35  20.222  18.029  -4.021
  266    HD2  ARG  35           HD2      ARG  35  21.622  18.868  -2.227
  267    HD3  ARG  35           HD1      ARG  35  20.047  19.653  -2.134
  268    HE   ARG  35           HE       ARG  35  20.054  17.324  -0.514
  269   HH11  ARG  35          HH21      ARG  35  21.337  20.528  -0.733
  270   HH12  ARG  35          HH22      ARG  35  21.470  20.740   0.981
  271   HH21  ARG  35          HH11      ARG  35  20.222  17.594   1.732
  272   HH22  ARG  35          HH12      ARG  35  20.838  19.079   2.378
  273    H    PHE  36           HN       PHE  36  16.567  14.647  -3.032
  274    HA   PHE  36           HA       PHE  36  13.971  16.057  -3.484
  275    HB2  PHE  36           HB2      PHE  36  14.563  13.097  -3.376
  276    HB3  PHE  36           HB1      PHE  36  13.001  13.849  -3.710
  277    HD1  PHE  36           HD2      PHE  36  12.691  15.226  -5.700
  278    HD2  PHE  36           HD1      PHE  36  16.263  12.974  -5.051
  279    HE1  PHE  36           HE2      PHE  36  13.232  15.416  -8.106
  280    HE2  PHE  36           HE1      PHE  36  16.837  13.190  -7.432
  281    HZ   PHE  36           HZ       PHE  36  15.320  14.401  -8.989
  282    H    ARG  37           HN       ARG  37  13.512  16.921  -1.504
  283    HA   ARG  37           HA       ARG  37  13.748  15.163   0.864
  284    HB2  ARG  37           HB2      ARG  37  13.292  18.144   0.573
  285    HB3  ARG  37           HB1      ARG  37  13.247  17.292   2.115
  286    HG2  ARG  37           HG2      ARG  37  15.570  16.539   1.778
  287    HG3  ARG  37           HG1      ARG  37  15.616  17.358   0.217
  288    HD2  ARG  37           HD2      ARG  37  15.060  18.780   2.835
  289    HD3  ARG  37           HD1      ARG  37  16.660  18.668   2.109
  290    HE   ARG  37           HE       ARG  37  14.875  19.684   0.179
  291   HH11  ARG  37          HH21      ARG  37  16.337  20.514   3.208
  292   HH12  ARG  37          HH22      ARG  37  16.313  22.220   2.909
  293   HH21  ARG  37          HH11      ARG  37  14.844  21.921  -0.217
  294   HH22  ARG  37          HH12      ARG  37  15.467  23.016   0.969
  295    H    CYS  38           HN       CYS  38  11.997  13.898   1.033
  296    HA   CYS  38           HA       CYS  38   9.325  15.112   0.642
  297    HB2  CYS  38           HB2      CYS  38   9.856  13.153  -0.775
  298    HB3  CYS  38           HB1      CYS  38  10.103  12.191   0.686
  299    HG   CYS  38           HG       CYS  38   7.649  11.773   0.297
  300    H    ASN  39           HN       ASN  39   8.148  15.501   2.371
  301    HA   ASN  39           HA       ASN  39   8.858  14.179   4.931
  302    HB2  ASN  39           HB2      ASN  39   7.449  16.792   4.357
  303    HB3  ASN  39           HB1      ASN  39   7.562  16.071   5.958
  304   HD21  ASN  39          HD21      ASN  39   8.767  18.616   5.307
  305   HD22  ASN  39          HD22      ASN  39  10.450  18.430   5.424
  306    H    VAL  40           HN       VAL  40   7.212  13.342   6.241
  307    HA   VAL  40           HA       VAL  40   4.651  12.797   4.834
  308    HB   VAL  40           HB       VAL  40   5.917  10.750   4.962
  309   HG11  VAL  40          HG11      VAL  40   7.391  11.632   6.885
  310   HG12  VAL  40          HG12      VAL  40   6.958   9.928   6.937
  311   HG13  VAL  40          HG13      VAL  40   6.113  11.082   7.961
  312   HG21  VAL  40          HG21      VAL  40   4.000  10.641   7.300
  313   HG22  VAL  40          HG22      VAL  40   4.361   9.376   6.123
  314   HG23  VAL  40          HG23      VAL  40   3.437  10.797   5.635
  315    H    THR  41           HN       THR  41   2.997  13.744   5.759
  316    HA   THR  41           HA       THR  41   3.149  14.564   8.585
  317    HB   THR  41           HB       THR  41   1.094  15.201   6.467
  318    HG1  THR  41           HG1      THR  41   2.573  17.229   7.450
  319   HG21  THR  41          HG21      THR  41   0.528  17.022   8.177
  320   HG22  THR  41          HG22      THR  41   1.470  16.076   9.331
  321   HG23  THR  41          HG23      THR  41   0.029  15.379   8.587
  322    H    PHE  42           HN       PHE  42   2.327  13.299  10.108
  323    HA   PHE  42           HA       PHE  42  -0.138  11.778   9.550
  324    HB2  PHE  42           HB2      PHE  42   2.162  10.426   9.344
  325    HB3  PHE  42           HB1      PHE  42   2.063  10.401  11.101
  326    HD1  PHE  42           HD1      PHE  42  -0.171   9.962   8.165
  327    HD2  PHE  42           HD2      PHE  42   0.933   8.528  12.047
  328    HE1  PHE  42           HE1      PHE  42  -1.857   8.169   7.964
  329    HE2  PHE  42           HE2      PHE  42  -0.759   6.704  11.844
  330    HZ   PHE  42           HZ       PHE  42  -2.146   6.540   9.810
  331    H    CYS  43           HN       CYS  43  -1.512  11.697  11.259
  332    HA   CYS  43           HA       CYS  43  -2.459  12.515  13.211
  333    HB2  CYS  43           HB2      CYS  43  -1.596  11.450  15.141
  334    HB3  CYS  43           HB1      CYS  43  -1.193  10.373  13.804
  335    HG   CYS  43           HG       CYS  43   1.229  11.765  13.886
  336    H    GLY  44           HN       GLY  44  -1.182  14.559  11.903
  337    HA2  GLY  44           HA2      GLY  44  -0.475  16.727  12.257
  338    HA3  GLY  44           HA1      GLY  44  -0.821  16.461  13.963
  339    H    GLN  45           HN       GLN  45   1.471  14.533  12.106
  340    HA   GLN  45           HA       GLN  45   3.739  15.903  13.396
  341    HB2  GLN  45           HB2      GLN  45   3.119  13.988  14.829
  342    HB3  GLN  45           HB1      GLN  45   3.316  12.914  13.456
  343    HG2  GLN  45           HG2      GLN  45   5.344  12.878  14.819
  344    HG3  GLN  45           HG1      GLN  45   5.702  13.640  13.273
  345   HE21  GLN  45          HE21      GLN  45   7.524  14.782  14.419
  346   HE22  GLN  45          HE22      GLN  45   7.176  16.141  15.373
  347    H    THR  46           HN       THR  46   5.205  16.419  11.943
  348    HA   THR  46           HA       THR  46   5.261  14.974   9.377
  349    HB   THR  46           HB       THR  46   6.278  16.932   8.439
  350    HG1  THR  46           HG1      THR  46   7.616  17.629  10.010
  351   HG21  THR  46          HG21      THR  46   4.491  18.484   8.688
  352   HG22  THR  46          HG22      THR  46   4.149  17.937  10.331
  353   HG23  THR  46          HG23      THR  46   3.777  16.893   8.958
  354    H    PHE  47           HN       PHE  47   6.678  13.375   9.386
  355    HA   PHE  47           HA       PHE  47   9.175  13.585  10.869
  356    HB2  PHE  47           HB2      PHE  47   8.161  11.294   9.184
  357    HB3  PHE  47           HB1      PHE  47   9.507  11.252  10.323
  358    HD1  PHE  47           HD1      PHE  47   5.890  12.031  10.102
  359    HD2  PHE  47           HD2      PHE  47   9.097  10.688  12.602
  360    HE1  PHE  47           HE1      PHE  47   4.266  11.540  11.896
  361    HE2  PHE  47           HE2      PHE  47   7.474  10.181  14.412
  362    HZ   PHE  47           HZ       PHE  47   5.054  10.605  14.054
  363    H    GLN  48           HN       GLN  48  11.189  13.720   9.951
  364    HA   GLN  48           HA       GLN  48  11.449  13.688   7.028
  365    HB2  GLN  48           HB2      GLN  48  12.654  15.849   7.040
  366    HB3  GLN  48           HB1      GLN  48  10.974  16.036   7.541
  367    HG2  GLN  48           HG2      GLN  48  11.679  15.996   9.909
  368    HG3  GLN  48           HG1      GLN  48  13.359  15.831   9.403
  369   HE21  GLN  48          HE21      GLN  48  13.590  17.965  10.648
  370   HE22  GLN  48          HE22      GLN  48  13.243  19.404   9.814
  371    H    SER  49           HN       SER  49  13.615  13.441   6.310
  372    HA   SER  49           HA       SER  49  15.363  12.178   8.319
  373    HB2  SER  49           HB2      SER  49  15.708  12.145   5.322
  374    HB3  SER  49           HB1      SER  49  16.408  11.047   6.510
  375    HG   SER  49           HG       SER  49  13.857  11.138   5.417
  376    H    SER  50           HN       SER  50  17.679  12.587   8.205
  377    HA   SER  50           HA       SER  50  18.230  15.436   7.823
  378    HB2  SER  50           HB2      SER  50  20.269  15.009   9.056
  379    HB3  SER  50           HB1      SER  50  18.924  14.253   9.907
  380    HG   SER  50           HG       SER  50  19.562  12.286   9.162
  381    H    GLU  51           HN       GLU  51  18.433  12.643   6.003
  382    HA   GLU  51           HA       GLU  51  20.667  13.708   4.365
  383    HB2  GLU  51           HB2      GLU  51  19.736  10.851   4.744
  384    HB3  GLU  51           HB1      GLU  51  20.914  11.362   3.533
  385    HG2  GLU  51           HG2      GLU  51  22.371  12.247   5.298
  386    HG3  GLU  51           HG1      GLU  51  21.188  11.788   6.521
  387    H    PHE  52           HN       PHE  52  20.443  13.725   2.170
  388    HA   PHE  52           HA       PHE  52  17.664  13.769   1.192
  389    HB2  PHE  52           HB2      PHE  52  18.937  14.948  -0.826
  390    HB3  PHE  52           HB1      PHE  52  18.530  15.842   0.637
  391    HD1  PHE  52           HD2      PHE  52  20.195  15.690   2.533
  392    HD2  PHE  52           HD1      PHE  52  21.196  14.945  -1.544
  393    HE1  PHE  52           HE2      PHE  52  22.581  16.178   3.055
  394    HE2  PHE  52           HE1      PHE  52  23.598  15.438  -1.061
  395    HZ   PHE  52           HZ       PHE  52  24.280  16.051   1.250
  396    H    PHE  53           HN       PHE  53  17.000  12.448  -0.202
  397    HA   PHE  53           HA       PHE  53  18.691  10.276  -1.095
  398    HB2  PHE  53           HB2      PHE  53  15.832  10.483  -1.950
  399    HB3  PHE  53           HB1      PHE  53  16.767   9.058  -1.503
  400    HD1  PHE  53           HD1      PHE  53  15.082  12.069  -0.196
  401    HD2  PHE  53           HD2      PHE  53  16.926   8.335   0.756
  402    HE1  PHE  53           HE1      PHE  53  14.219  12.254   2.110
  403    HE2  PHE  53           HE2      PHE  53  16.084   8.523   3.061
  404    HZ   PHE  53           HZ       PHE  53  14.724  10.468   3.754
  405    HA   PRO  54           HA       PRO  54  19.267  11.964  -5.186
  406    HB2  PRO  54           HB2      PRO  54  19.962   9.724  -6.587
  407    HB3  PRO  54           HB1      PRO  54  21.035  10.490  -5.403
  408    HG2  PRO  54           HG2      PRO  54  19.367   8.038  -5.139
  409    HG3  PRO  54           HG1      PRO  54  20.961   8.403  -4.452
  410    HD2  PRO  54           HD2      PRO  54  18.551   8.566  -3.028
  411    HD3  PRO  54           HD1      PRO  54  20.066   9.383  -2.575
  412    H    THR  55           HN       THR  55  16.689   9.917  -4.425
  413    HA   THR  55           HA       THR  55  15.386  10.476  -7.027
  414    HB   THR  55           HB       THR  55  15.404   7.850  -5.524
  415    HG1  THR  55           HG1      THR  55  15.984   8.212  -8.232
  416   HG21  THR  55          HG21      THR  55  13.160   8.147  -6.277
  417   HG22  THR  55          HG22      THR  55  13.937   7.132  -7.491
  418   HG23  THR  55          HG23      THR  55  13.691   8.849  -7.805
  419    H    LEU  56           HN       LEU  56  13.147  10.647  -6.972
  420    HA   LEU  56           HA       LEU  56  12.128  11.939  -4.693
  421    HB2  LEU  56           HB2      LEU  56  11.384  11.741  -7.339
  422    HB3  LEU  56           HB1      LEU  56  10.077  10.883  -6.531
  423    HG   LEU  56           HG       LEU  56  11.052  13.658  -5.788
  424   HD11  LEU  56          HD11      LEU  56   8.686  12.674  -7.358
  425   HD12  LEU  56          HD12      LEU  56   9.987  13.723  -7.918
  426   HD13  LEU  56          HD13      LEU  56   8.827  14.314  -6.728
  427   HD21  LEU  56          HD21      LEU  56   8.816  13.620  -4.528
  428   HD22  LEU  56          HD22      LEU  56  10.093  12.626  -3.839
  429   HD23  LEU  56          HD23      LEU  56   8.810  11.878  -4.788
  430    H    LYS  57           HN       LYS  57  10.915   8.854  -6.119
  431    HA   LYS  57           HA       LYS  57   9.260   8.146  -4.052
  432    HB2  LYS  57           HB2      LYS  57  10.917   6.416  -5.898
  433    HB3  LYS  57           HB1      LYS  57   9.599   5.814  -4.903
  434    HG2  LYS  57           HG2      LYS  57   8.030   7.356  -6.039
  435    HG3  LYS  57           HG1      LYS  57   9.356   7.952  -7.040
  436    HD2  LYS  57           HD2      LYS  57   9.709   5.652  -7.911
  437    HD3  LYS  57           HD1      LYS  57   8.332   5.097  -6.960
  438    HE2  LYS  57           HE2      LYS  57   8.184   7.278  -9.061
  439    HE3  LYS  57           HE1      LYS  57   7.741   5.594  -9.343
  440    HZ1  LYS  57           HZ1      LYS  57   6.081   5.756  -7.619
  441    HZ2  LYS  57           HZ2      LYS  57   5.822   6.970  -8.778
  442    HZ3  LYS  57           HZ3      LYS  57   6.530   7.355  -7.283
  443    H    SER  58           HN       SER  58  12.733   7.736  -4.332
  444    HA   SER  58           HA       SER  58  13.155   5.899  -2.270
  445    HB2  SER  58           HB2      SER  58  15.000   6.483  -3.668
  446    HB3  SER  58           HB1      SER  58  14.834   8.196  -3.285
  447    HG   SER  58           HG       SER  58  16.128   6.221  -1.940
  448    H    ALA  59           HN       ALA  59  12.625   9.380  -2.203
  449    HA   ALA  59           HA       ALA  59  13.205   9.745   0.568
  450    HB1  ALA  59           HB1      ALA  59  12.389  11.947   0.273
  451    HB2  ALA  59           HB2      ALA  59  11.391  11.465  -1.101
  452    HB3  ALA  59           HB3      ALA  59  13.134  11.512  -1.264
  453    H    GLU  60           HN       GLU  60  10.203   9.194  -1.244
  454    HA   GLU  60           HA       GLU  60   8.372   9.549   0.883
  455    HB2  GLU  60           HB2      GLU  60   8.247   7.831  -1.609
  456    HB3  GLU  60           HB1      GLU  60   6.879   8.097  -0.527
  457    HG2  GLU  60           HG2      GLU  60   6.984  10.498  -0.918
  458    HG3  GLU  60           HG1      GLU  60   8.437  10.307  -1.898
  459    H    HIS  61           HN       HIS  61  10.165   6.698  -0.248
  460    HA   HIS  61           HA       HIS  61   8.922   4.831   1.502
  461    HB2  HIS  61           HB2      HIS  61  11.719   4.637   0.374
  462    HB3  HIS  61           HB1      HIS  61  10.652   3.317   0.848
  463    HD2  HIS  61           HD2      HIS  61  11.113   2.718  -2.095
  464    HE1  HIS  61           HE1      HIS  61   8.047   5.403  -3.198
  465    HE2  HIS  61           HE2      HIS  61   9.528   3.508  -4.014
  466    H    ALA  62           HN       ALA  62  11.938   6.710   1.722
  467    HA   ALA  62           HA       ALA  62  12.771   5.638   4.218
  468    HB1  ALA  62           HB1      ALA  62  13.462   8.182   2.751
  469    HB2  ALA  62           HB2      ALA  62  14.417   6.704   2.869
  470    HB3  ALA  62           HB3      ALA  62  14.205   7.734   4.285
  471    H    ALA  63           HN       ALA  63  10.873   8.502   3.337
  472    HA   ALA  63           HA       ALA  63  10.726   9.680   5.897
  473    HB1  ALA  63           HB1      ALA  63   8.721   9.724   3.622
  474    HB2  ALA  63           HB2      ALA  63  10.047  10.863   3.864
  475    HB3  ALA  63           HB3      ALA  63   8.707  10.813   5.010
  476    H    ALA  64           HN       ALA  64   8.436   7.450   4.263
  477    HA   ALA  64           HA       ALA  64   6.639   7.267   6.416
  478    HB1  ALA  64           HB1      ALA  64   5.960   5.097   5.317
  479    HB2  ALA  64           HB2      ALA  64   7.269   5.362   4.163
  480    HB3  ALA  64           HB3      ALA  64   5.937   6.509   4.261
  481    H    LYS  65           HN       LYS  65   9.581   5.435   5.658
  482    HA   LYS  65           HA       LYS  65   9.360   3.387   7.530
  483    HB2  LYS  65           HB2      LYS  65  11.125   3.550   5.793
  484    HB3  LYS  65           HB1      LYS  65  11.877   4.847   6.721
  485    HG2  LYS  65           HG2      LYS  65  12.190   3.345   8.626
  486    HG3  LYS  65           HG1      LYS  65  11.366   2.047   7.762
  487    HD2  LYS  65           HD2      LYS  65  13.108   2.118   6.008
  488    HD3  LYS  65           HD1      LYS  65  13.943   3.391   6.900
  489    HE2  LYS  65           HE2      LYS  65  13.327   0.652   8.042
  490    HE3  LYS  65           HE1      LYS  65  14.874   1.094   7.320
  491    HZ1  LYS  65           HZ1      LYS  65  14.658   3.084   8.988
  492    HZ2  LYS  65           HZ2      LYS  65  15.282   1.587   9.491
  493    HZ3  LYS  65           HZ3      LYS  65  13.670   1.996   9.833
  494    H    ILE  66           HN       ILE  66  10.733   6.675   7.930
  495    HA   ILE  66           HA       ILE  66  11.462   6.315  10.632
  496    HB   ILE  66           HB       ILE  66  10.837   8.804   9.018
  497   HG12  ILE  66          HG12      ILE  66  13.486   7.672   9.968
  498   HG13  ILE  66          HG11      ILE  66  12.803   7.327   8.379
  499   HG21  ILE  66          HG21      ILE  66  12.168   9.924  10.877
  500   HG22  ILE  66          HG22      ILE  66  11.930   8.451  11.819
  501   HG23  ILE  66          HG23      ILE  66  10.544   9.409  11.313
  502   HD11  ILE  66          HD11      ILE  66  14.448   9.268   8.454
  503   HD12  ILE  66          HD12      ILE  66  13.240  10.144   9.395
  504   HD13  ILE  66          HD13      ILE  66  12.875   9.637   7.747
  505    H    ALA  67           HN       ALA  67   8.530   7.639   9.112
  506    HA   ALA  67           HA       ALA  67   7.247   8.435  11.513
  507    HB1  ALA  67           HB1      ALA  67   6.701   9.184   9.171
  508    HB2  ALA  67           HB2      ALA  67   5.306   8.754  10.158
  509    HB3  ALA  67           HB3      ALA  67   5.903   7.632   8.936
  510    H    VAL  68           HN       VAL  68   6.818   5.540   9.492
  511    HA   VAL  68           HA       VAL  68   4.843   4.337  11.120
  512    HB   VAL  68           HB       VAL  68   5.350   3.734   8.722
  513   HG11  VAL  68          HG11      VAL  68   7.515   1.964   9.854
  514   HG12  VAL  68          HG12      VAL  68   7.871   3.579   9.268
  515   HG13  VAL  68          HG13      VAL  68   7.199   2.384   8.172
  516   HG21  VAL  68          HG21      VAL  68   3.916   2.321  10.116
  517   HG22  VAL  68          HG22      VAL  68   5.330   1.506  10.781
  518   HG23  VAL  68          HG23      VAL  68   4.920   1.310   9.076
  519    H    ALA  69           HN       ALA  69   8.350   4.345  11.188
  520    HA   ALA  69           HA       ALA  69   8.657   2.167  12.998
  521    HB1  ALA  69           HB1      ALA  69  10.465   4.491  12.306
  522    HB2  ALA  69           HB2      ALA  69  10.542   2.850  11.665
  523    HB3  ALA  69           HB3      ALA  69  10.940   3.155  13.356
  524    H    SER  70           HN       SER  70   7.908   5.544  13.364
  525    HA   SER  70           HA       SER  70   8.590   5.759  16.137
  526    HB2  SER  70           HB2      SER  70   7.493   7.887  16.060
  527    HB3  SER  70           HB1      SER  70   8.327   7.685  14.523
  528    HG   SER  70           HG       SER  70   6.466   7.598  13.531
  529    H    LEU  71           HN       LEU  71   5.654   4.998  14.346
  530    HA   LEU  71           HA       LEU  71   3.896   4.962  16.586
  531    HB2  LEU  71           HB2      LEU  71   3.589   3.434  13.993
  532    HB3  LEU  71           HB1      LEU  71   2.308   3.903  15.112
  533    HG   LEU  71           HG       LEU  71   4.078   5.803  13.550
  534   HD11  LEU  71          HD11      LEU  71   2.094   6.306  12.261
  535   HD12  LEU  71          HD12      LEU  71   1.108   5.259  13.284
  536   HD13  LEU  71          HD13      LEU  71   2.341   4.560  12.235
  537   HD21  LEU  71          HD21      LEU  71   2.226   7.441  14.441
  538   HD22  LEU  71          HD22      LEU  71   3.551   6.990  15.508
  539   HD23  LEU  71          HD23      LEU  71   1.979   6.208  15.680
  540    H    THR  72           HN       THR  72   6.047   2.607  15.165
  541    HA   THR  72           HA       THR  72   5.755   0.894  17.487
  542    HB   THR  72           HB       THR  72   5.069  -0.173  14.739
  543    HG1  THR  72           HG1      THR  72   3.573   0.695  16.931
  544   HG21  THR  72          HG21      THR  72   5.170  -1.456  17.481
  545   HG22  THR  72          HG22      THR  72   6.215  -1.825  16.108
  546   HG23  THR  72          HG23      THR  72   4.498  -2.224  16.042
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  13.808   1.941  -1.393
    2    H2   MET   1           HT2      MET   1  14.842   2.190  -2.718
    3    H3   MET   1           HT3      MET   1  15.487   1.973  -1.161
    4    HA   MET   1           HA       MET   1  15.187   0.027  -3.027
    5    HB2  MET   1           HB2      MET   1  15.360  -0.119  -0.002
    6    HB3  MET   1           HB1      MET   1  15.634  -1.496  -1.071
    7    HG2  MET   1           HG2      MET   1  17.458  -0.269  -2.192
    8    HG3  MET   1           HG1      MET   1  17.187   1.109  -1.125
    9    HE1  MET   1           HE1      MET   1  20.119  -0.105  -1.254
   10    HE2  MET   1           HE2      MET   1  20.408   0.104   0.471
   11    HE3  MET   1           HE3      MET   1  19.432   1.284  -0.400
   12    H    ASP   2           HN       ASP   2  13.660  -0.802  -0.014
   13    HA   ASP   2           HA       ASP   2  11.499  -2.131  -1.322
   14    HB2  ASP   2           HB2      ASP   2  12.064  -1.480   1.571
   15    HB3  ASP   2           HB1      ASP   2  10.616  -2.343   1.059
   16    H    HIS   3           HN       HIS   3   9.315  -1.601  -1.395
   17    HA   HIS   3           HA       HIS   3   8.638   1.236  -0.793
   18    HB2  HIS   3           HB2      HIS   3   7.537  -0.421  -3.073
   19    HB3  HIS   3           HB1      HIS   3   7.295   1.301  -2.781
   20    HD2  HIS   3           HD2      HIS   3   9.767  -0.980  -4.619
   21    HE1  HIS   3           HE1      HIS   3  11.647   2.785  -4.316
   22    HE2  HIS   3           HE2      HIS   3  11.768   0.497  -5.410
   23    H    VAL   4           HN       VAL   4   8.259  -1.146   0.916
   24    HA   VAL   4           HA       VAL   4   5.441  -1.776   0.768
   25    HB   VAL   4           HB       VAL   4   5.923  -3.138   2.751
   26   HG11  VAL   4          HG11      VAL   4   6.381  -4.101   0.555
   27   HG12  VAL   4          HG12      VAL   4   7.611  -4.640   1.699
   28   HG13  VAL   4          HG13      VAL   4   7.982  -3.363   0.540
   29   HG21  VAL   4          HG21      VAL   4   8.667  -1.863   2.538
   30   HG22  VAL   4          HG22      VAL   4   8.290  -3.242   3.569
   31   HG23  VAL   4          HG23      VAL   4   7.529  -1.679   3.873
   32    H    TYR   5           HN       TYR   5   7.460   0.577   2.316
   33    HA   TYR   5           HA       TYR   5   6.094   1.087   4.671
   34    HB2  TYR   5           HB2      TYR   5   7.305   3.195   2.872
   35    HB3  TYR   5           HB1      TYR   5   7.124   3.244   4.627
   36    HD1  TYR   5           HD1      TYR   5   8.971   1.714   1.824
   37    HD2  TYR   5           HD2      TYR   5   8.595   2.004   6.088
   38    HE1  TYR   5           HE1      TYR   5  11.168   0.598   2.095
   39    HE2  TYR   5           HE2      TYR   5  10.789   0.875   6.357
   40    HH   TYR   5           HH       TYR   5  12.454  -0.571   3.667
   41    H    LYS   6           HN       LYS   6   5.485   2.333   1.408
   42    HA   LYS   6           HA       LYS   6   3.432   4.128   2.062
   43    HB2  LYS   6           HB2      LYS   6   4.583   4.036  -0.141
   44    HB3  LYS   6           HB1      LYS   6   3.736   2.529  -0.493
   45    HG2  LYS   6           HG2      LYS   6   1.576   3.666  -0.306
   46    HG3  LYS   6           HG1      LYS   6   2.385   5.172   0.131
   47    HD2  LYS   6           HD2      LYS   6   3.538   5.184  -2.056
   48    HD3  LYS   6           HD1      LYS   6   2.709   3.690  -2.496
   49    HE2  LYS   6           HE2      LYS   6   0.536   4.812  -2.299
   50    HE3  LYS   6           HE1      LYS   6   1.336   6.303  -1.802
   51    HZ1  LYS   6           HZ1      LYS   6   1.772   4.926  -4.395
   52    HZ2  LYS   6           HZ2      LYS   6   2.444   6.412  -3.916
   53    HZ3  LYS   6           HZ3      LYS   6   0.769   6.277  -4.174
   54    H    GLY   7           HN       GLY   7   3.338   0.684   1.234
   55    HA2  GLY   7           HA2      GLY   7   0.477   0.499   1.351
   56    HA3  GLY   7           HA1      GLY   7   1.609  -0.848   1.275
   57    H    GLN   8           HN       GLN   8   3.068   0.242   3.681
   58    HA   GLN   8           HA       GLN   8   1.526  -1.164   5.661
   59    HB2  GLN   8           HB2      GLN   8   4.170   0.272   5.724
   60    HB3  GLN   8           HB1      GLN   8   3.447  -0.425   7.174
   61    HG2  GLN   8           HG2      GLN   8   3.936  -1.997   4.634
   62    HG3  GLN   8           HG1      GLN   8   5.075  -1.944   5.979
   63   HE21  GLN   8          HE21      GLN   8   2.932  -4.012   4.757
   64   HE22  GLN   8          HE22      GLN   8   2.257  -4.667   6.170
   65    H    LEU   9           HN       LEU   9   2.620   2.190   5.284
   66    HA   LEU   9           HA       LEU   9   1.349   3.173   7.616
   67    HB2  LEU   9           HB2      LEU   9   3.148   4.389   6.357
   68    HB3  LEU   9           HB1      LEU   9   1.962   4.717   5.095
   69    HG   LEU   9           HG       LEU   9   0.520   5.850   6.821
   70   HD11  LEU   9          HD11      LEU   9   1.150   5.062   8.921
   71   HD12  LEU   9          HD12      LEU   9   2.006   6.598   8.882
   72   HD13  LEU   9          HD13      LEU   9   2.874   5.100   8.545
   73   HD21  LEU   9          HD21      LEU   9   2.065   7.861   7.027
   74   HD22  LEU   9          HD22      LEU   9   1.867   7.236   5.390
   75   HD23  LEU   9          HD23      LEU   9   3.327   6.864   6.305
   76    H    GLN  10           HN       GLN  10   0.285   2.929   4.272
   77    HA   GLN  10           HA       GLN  10  -2.125   4.303   4.705
   78    HB2  GLN  10           HB2      GLN  10  -1.224   3.924   2.455
   79    HB3  GLN  10           HB1      GLN  10  -1.470   2.188   2.642
   80    HG2  GLN  10           HG2      GLN  10  -3.877   2.499   2.817
   81    HG3  GLN  10           HG1      GLN  10  -3.680   4.253   2.796
   82   HE21  GLN  10          HE21      GLN  10  -2.435   1.531   0.762
   83   HE22  GLN  10          HE22      GLN  10  -2.835   2.271  -0.711
   84    H    ALA  11           HN       ALA  11  -1.266   0.878   4.884
   85    HA   ALA  11           HA       ALA  11  -3.896  -0.069   5.407
   86    HB1  ALA  11           HB1      ALA  11  -1.184  -1.253   6.040
   87    HB2  ALA  11           HB2      ALA  11  -2.187  -1.593   4.631
   88    HB3  ALA  11           HB3      ALA  11  -2.714  -2.110   6.232
   89    H    TYR  12           HN       TYR  12  -1.254   1.043   7.471
   90    HA   TYR  12           HA       TYR  12  -2.316   0.240   9.950
   91    HB2  TYR  12           HB2      TYR  12  -0.005   0.974   9.744
   92    HB3  TYR  12           HB1      TYR  12  -0.534   2.591   9.274
   93    HD1  TYR  12           HD1      TYR  12  -0.691   0.092  12.035
   94    HD2  TYR  12           HD2      TYR  12  -1.084   4.220  10.917
   95    HE1  TYR  12           HE1      TYR  12  -0.855   0.722  14.427
   96    HE2  TYR  12           HE2      TYR  12  -1.249   4.852  13.311
   97    HH   TYR  12           HH       TYR  12  -1.233   4.133  15.407
   98    H    ALA  13           HN       ALA  13  -2.599   3.356   8.223
   99    HA   ALA  13           HA       ALA  13  -4.164   4.681  10.108
  100    HB1  ALA  13           HB1      ALA  13  -3.088   5.460   7.812
  101    HB2  ALA  13           HB2      ALA  13  -4.497   6.293   8.470
  102    HB3  ALA  13           HB3      ALA  13  -4.694   5.103   7.182
  103    H    LEU  14           HN       LEU  14  -5.165   2.634   7.374
  104    HA   LEU  14           HA       LEU  14  -7.946   2.947   7.723
  105    HB2  LEU  14           HB2      LEU  14  -6.892   1.983   5.685
  106    HB3  LEU  14           HB1      LEU  14  -6.461   0.550   6.615
  107    HG   LEU  14           HG       LEU  14  -8.909   0.212   7.115
  108   HD11  LEU  14          HD11      LEU  14 -10.388   1.456   5.329
  109   HD12  LEU  14          HD12      LEU  14  -9.088   2.648   5.351
  110   HD13  LEU  14          HD13      LEU  14  -9.971   2.274   6.831
  111   HD21  LEU  14          HD21      LEU  14  -7.872   0.227   4.279
  112   HD22  LEU  14          HD22      LEU  14  -9.452  -0.438   4.691
  113   HD23  LEU  14          HD23      LEU  14  -7.994  -1.134   5.396
  114    H    GLN  15           HN       GLN  15  -5.701   0.461   8.952
  115    HA   GLN  15           HA       GLN  15  -7.682  -1.060  10.280
  116    HB2  GLN  15           HB2      GLN  15  -5.394  -1.881   9.699
  117    HB3  GLN  15           HB1      GLN  15  -4.739  -0.848  10.968
  118    HG2  GLN  15           HG2      GLN  15  -5.015  -3.084  11.866
  119    HG3  GLN  15           HG1      GLN  15  -6.215  -2.034  12.617
  120   HE21  GLN  15          HE21      GLN  15  -7.901  -3.564  12.961
  121   HE22  GLN  15          HE22      GLN  15  -8.651  -4.421  11.701
  122    H    HIS  16           HN       HIS  16  -5.539   1.537  11.356
  123    HA   HIS  16           HA       HIS  16  -6.609   1.496  14.056
  124    HB2  HIS  16           HB2      HIS  16  -4.197   2.025  13.490
  125    HB3  HIS  16           HB1      HIS  16  -4.767   3.554  12.825
  126    HD2  HIS  16           HD2      HIS  16  -3.944   2.011  16.268
  127    HE1  HIS  16           HE1      HIS  16  -5.901   5.676  17.017
  128    HE2  HIS  16           HE2      HIS  16  -4.582   3.782  18.077
  129    H    ASN  17           HN       ASN  17  -7.648   2.717  11.137
  130    HA   ASN  17           HA       ASN  17  -9.239   4.257  10.534
  131    HB2  ASN  17           HB2      ASN  17 -10.500   3.034  12.311
  132    HB3  ASN  17           HB1      ASN  17  -9.954   4.244  13.471
  133   HD21  ASN  17          HD21      ASN  17 -12.640   4.203  13.272
  134   HD22  ASN  17          HD22      ASN  17 -13.225   5.468  12.304
  135    H    LEU  18           HN       LEU  18  -7.110   5.561  10.350
  136    HA   LEU  18           HA       LEU  18  -7.366   8.026  11.992
  137    HB2  LEU  18           HB2      LEU  18  -4.842   6.788  10.866
  138    HB3  LEU  18           HB1      LEU  18  -4.935   8.308  11.750
  139    HG   LEU  18           HG       LEU  18  -5.825   5.638  12.879
  140   HD11  LEU  18          HD11      LEU  18  -3.364   5.762  12.403
  141   HD12  LEU  18          HD12      LEU  18  -3.736   5.619  14.120
  142   HD13  LEU  18          HD13      LEU  18  -3.277   7.182  13.446
  143   HD21  LEU  18          HD21      LEU  18  -5.448   7.076  15.048
  144   HD22  LEU  18          HD22      LEU  18  -6.933   7.289  14.125
  145   HD23  LEU  18          HD23      LEU  18  -5.618   8.450  13.956
  146    H    GLU  19           HN       GLU  19  -7.084   9.987  10.943
  147    HA   GLU  19           HA       GLU  19  -8.164  10.422   8.507
  148    HB2  GLU  19           HB2      GLU  19  -6.906  12.558   8.448
  149    HB3  GLU  19           HB1      GLU  19  -7.605  12.239  10.035
  150    HG2  GLU  19           HG2      GLU  19  -5.433  11.326  10.793
  151    HG3  GLU  19           HG1      GLU  19  -4.736  11.706   9.219
  152    H    LEU  20           HN       LEU  20  -7.360  10.811   6.422
  153    HA   LEU  20           HA       LEU  20  -5.559   8.881   5.509
  154    HB2  LEU  20           HB2      LEU  20  -6.814  11.300   4.255
  155    HB3  LEU  20           HB1      LEU  20  -5.590  10.406   3.362
  156    HG   LEU  20           HG       LEU  20  -7.991   9.705   2.913
  157   HD11  LEU  20          HD11      LEU  20  -6.498   7.379   4.118
  158   HD12  LEU  20          HD12      LEU  20  -5.852   8.215   2.707
  159   HD13  LEU  20          HD13      LEU  20  -7.441   7.456   2.633
  160   HD21  LEU  20          HD21      LEU  20  -9.211   8.487   4.562
  161   HD22  LEU  20          HD22      LEU  20  -8.636   9.952   5.365
  162   HD23  LEU  20          HD23      LEU  20  -7.821   8.415   5.645
  163    HA   PRO  21           HA       PRO  21  -1.673  10.904   6.334
  164    HB2  PRO  21           HB2      PRO  21  -0.017   9.442   4.727
  165    HB3  PRO  21           HB1      PRO  21  -0.727   8.774   6.205
  166    HG2  PRO  21           HG2      PRO  21  -1.617   8.435   3.374
  167    HG3  PRO  21           HG1      PRO  21  -1.477   7.222   4.661
  168    HD2  PRO  21           HD2      PRO  21  -3.867   8.351   3.985
  169    HD3  PRO  21           HD1      PRO  21  -3.494   7.830   5.641
  170    H    VAL  22           HN       VAL  22  -0.199  12.350   5.420
  171    HA   VAL  22           HA       VAL  22  -0.667  13.108   2.585
  172    HB   VAL  22           HB       VAL  22  -0.552  14.958   4.980
  173   HG11  VAL  22          HG11      VAL  22  -0.339  15.514   2.016
  174   HG12  VAL  22          HG12      VAL  22   0.747  16.041   3.301
  175   HG13  VAL  22          HG13      VAL  22  -0.865  16.744   3.166
  176   HG21  VAL  22          HG21      VAL  22  -2.755  13.861   4.372
  177   HG22  VAL  22          HG22      VAL  22  -2.654  14.683   2.815
  178   HG23  VAL  22          HG23      VAL  22  -2.766  15.622   4.303
  179    H    TYR  23           HN       TYR  23   1.079  13.367   1.457
  180    HA   TYR  23           HA       TYR  23   3.718  13.426   2.775
  181    HB2  TYR  23           HB2      TYR  23   2.861  12.506   0.044
  182    HB3  TYR  23           HB1      TYR  23   4.541  12.654   0.571
  183    HD1  TYR  23           HD1      TYR  23   1.288  11.142   1.643
  184    HD2  TYR  23           HD2      TYR  23   5.554  10.873   1.649
  185    HE1  TYR  23           HE1      TYR  23   1.145   8.945   2.775
  186    HE2  TYR  23           HE2      TYR  23   5.434   8.669   2.777
  187    HH   TYR  23           HH       TYR  23   2.356   7.050   3.265
  188    H    ALA  24           HN       ALA  24   5.318  14.796   1.997
  189    HA   ALA  24           HA       ALA  24   4.351  17.152   0.451
  190    HB1  ALA  24           HB1      ALA  24   5.625  18.573   1.777
  191    HB2  ALA  24           HB2      ALA  24   6.712  17.287   2.302
  192    HB3  ALA  24           HB3      ALA  24   5.080  17.386   2.963
  193    H    ASN  25           HN       ASN  25   5.638  17.828  -1.272
  194    HA   ASN  25           HA       ASN  25   8.018  16.144  -1.880
  195    HB2  ASN  25           HB2      ASN  25   6.002  17.384  -3.777
  196    HB3  ASN  25           HB1      ASN  25   7.457  16.516  -4.266
  197   HD21  ASN  25          HD21      ASN  25   4.264  16.017  -4.136
  198   HD22  ASN  25          HD22      ASN  25   4.212  14.375  -3.713
  199    H    GLU  26           HN       GLU  26   9.872  17.187  -2.013
  200    HA   GLU  26           HA       GLU  26   9.897  20.018  -2.906
  201    HB2  GLU  26           HB2      GLU  26  11.447  18.917  -0.555
  202    HB3  GLU  26           HB1      GLU  26  11.607  20.541  -1.216
  203    HG2  GLU  26           HG2      GLU  26   9.255  21.008  -0.710
  204    HG3  GLU  26           HG1      GLU  26   9.043  19.365  -0.107
  205    H    ARG  27           HN       ARG  27  11.318  20.345  -4.498
  206    HA   ARG  27           HA       ARG  27  13.567  18.439  -4.854
  207    HB2  ARG  27           HB2      ARG  27  11.703  17.950  -6.457
  208    HB3  ARG  27           HB1      ARG  27  11.850  19.598  -7.065
  209    HG2  ARG  27           HG2      ARG  27  14.226  19.150  -7.655
  210    HG3  ARG  27           HG1      ARG  27  14.025  17.484  -7.113
  211    HD2  ARG  27           HD2      ARG  27  12.130  17.282  -8.782
  212    HD3  ARG  27           HD1      ARG  27  12.606  18.859  -9.404
  213    HE   ARG  27           HE       ARG  27  14.791  16.978  -9.275
  214   HH11  ARG  27          HH21      ARG  27  12.096  18.153 -11.094
  215   HH12  ARG  27          HH22      ARG  27  12.722  17.629 -12.620
  216   HH21  ARG  27          HH11      ARG  27  15.622  16.291 -11.266
  217   HH22  ARG  27          HH12      ARG  27  14.723  16.571 -12.718
  218    H    GLU  28           HN       GLU  28  15.432  19.536  -4.754
  219    HA   GLU  28           HA       GLU  28  15.733  21.982  -6.279
  220    HB2  GLU  28           HB2      GLU  28  14.782  22.818  -4.138
  221    HB3  GLU  28           HB1      GLU  28  16.111  22.045  -3.275
  222    HG2  GLU  28           HG2      GLU  28  17.737  23.419  -4.503
  223    HG3  GLU  28           HG1      GLU  28  16.428  24.170  -5.414
  224    H    GLY  29           HN       GLY  29  17.790  22.082  -7.033
  225    HA2  GLY  29           HA2      GLY  29  20.168  21.750  -5.955
  226    HA3  GLY  29           HA1      GLY  29  19.684  20.067  -6.043
  227    HA   PRO  30           HA       PRO  30  21.544  22.039 -10.207
  228    HB2  PRO  30           HB2      PRO  30  23.709  20.137  -9.339
  229    HB3  PRO  30           HB1      PRO  30  23.855  21.667 -10.226
  230    HG2  PRO  30           HG2      PRO  30  24.447  21.486  -7.625
  231    HG3  PRO  30           HG1      PRO  30  23.721  22.942  -8.326
  232    HD2  PRO  30           HD2      PRO  30  22.489  20.931  -6.525
  233    HD3  PRO  30           HD1      PRO  30  22.036  22.623  -6.818
  234    HA   PRO  31           HA       PRO  31  19.972  18.460 -12.362
  235    HB2  PRO  31           HB2      PRO  31  21.791  18.238 -14.481
  236    HB3  PRO  31           HB1      PRO  31  20.411  19.354 -14.438
  237    HG2  PRO  31           HG2      PRO  31  23.279  19.870 -13.774
  238    HG3  PRO  31           HG1      PRO  31  22.137  20.874 -14.685
  239    HD2  PRO  31           HD2      PRO  31  22.723  21.462 -12.149
  240    HD3  PRO  31           HD1      PRO  31  21.058  21.633 -12.742
  241    H    HIS  32           HN       HIS  32  23.536  18.433 -12.070
  242    HA   HIS  32           HA       HIS  32  23.623  15.519 -11.979
  243    HB2  HIS  32           HB2      HIS  32  25.781  17.625 -11.719
  244    HB3  HIS  32           HB1      HIS  32  26.077  15.886 -11.714
  245    HD2  HIS  32           HD2      HIS  32  25.988  18.649 -14.267
  246    HE1  HIS  32           HE1      HIS  32  24.963  15.164 -16.419
  247    HE2  HIS  32           HE2      HIS  32  25.675  17.592 -16.635
  248    H    ALA  33           HN       ALA  33  22.843  17.862  -9.835
  249    HA   ALA  33           HA       ALA  33  23.521  16.141  -7.535
  250    HB1  ALA  33           HB1      ALA  33  25.165  18.148  -7.880
  251    HB2  ALA  33           HB2      ALA  33  24.527  17.819  -6.269
  252    HB3  ALA  33           HB3      ALA  33  23.836  19.117  -7.244
  253    HA   PRO  34           HA       PRO  34  19.212  17.937  -7.408
  254    HB2  PRO  34           HB2      PRO  34  17.749  15.737  -7.999
  255    HB3  PRO  34           HB1      PRO  34  18.482  16.733  -9.275
  256    HG2  PRO  34           HG2      PRO  34  19.416  14.133  -8.141
  257    HG3  PRO  34           HG1      PRO  34  19.400  14.685  -9.826
  258    HD2  PRO  34           HD2      PRO  34  21.651  14.754  -8.190
  259    HD3  PRO  34           HD1      PRO  34  21.419  15.792  -9.612
  260    H    ARG  35           HN       ARG  35  17.894  17.801  -5.565
  261    HA   ARG  35           HA       ARG  35  18.402  15.559  -3.686
  262    HB2  ARG  35           HB2      ARG  35  18.178  18.502  -3.005
  263    HB3  ARG  35           HB1      ARG  35  18.268  17.190  -1.829
  264    HG2  ARG  35           HG2      ARG  35  20.465  16.531  -2.697
  265    HG3  ARG  35           HG1      ARG  35  20.374  17.796  -3.923
  266    HD2  ARG  35           HD2      ARG  35  20.258  18.331  -0.946
  267    HD3  ARG  35           HD1      ARG  35  21.735  18.422  -1.900
  268    HE   ARG  35           HE       ARG  35  19.776  20.022  -3.140
  269   HH11  ARG  35          HH21      ARG  35  21.678  19.830  -0.257
  270   HH12  ARG  35          HH22      ARG  35  21.725  21.544  -0.008
  271   HH21  ARG  35          HH11      ARG  35  19.830  22.271  -2.821
  272   HH22  ARG  35          HH12      ARG  35  20.679  22.926  -1.459
  273    H    PHE  36           HN       PHE  36  16.555  14.568  -3.019
  274    HA   PHE  36           HA       PHE  36  13.992  16.040  -3.491
  275    HB2  PHE  36           HB2      PHE  36  14.519  13.070  -3.352
  276    HB3  PHE  36           HB1      PHE  36  12.974  13.851  -3.701
  277    HD1  PHE  36           HD2      PHE  36  12.704  15.214  -5.696
  278    HD2  PHE  36           HD1      PHE  36  16.224  12.895  -5.022
  279    HE1  PHE  36           HE2      PHE  36  13.253  15.376  -8.099
  280    HE2  PHE  36           HE1      PHE  36  16.811  13.077  -7.400
  281    HZ   PHE  36           HZ       PHE  36  15.321  14.312  -8.967
  282    H    ARG  37           HN       ARG  37  13.582  16.929  -1.526
  283    HA   ARG  37           HA       ARG  37  13.770  15.177   0.853
  284    HB2  ARG  37           HB2      ARG  37  13.298  18.153   0.602
  285    HB3  ARG  37           HB1      ARG  37  13.426  17.269   2.118
  286    HG2  ARG  37           HG2      ARG  37  15.649  17.048   0.095
  287    HG3  ARG  37           HG1      ARG  37  15.551  18.480   1.115
  288    HD2  ARG  37           HD2      ARG  37  15.674  15.619   2.117
  289    HD3  ARG  37           HD1      ARG  37  17.008  16.769   2.122
  290    HE   ARG  37           HE       ARG  37  14.749  16.736   3.945
  291   HH11  ARG  37          HH21      ARG  37  17.327  18.546   2.505
  292   HH12  ARG  37          HH22      ARG  37  17.408  19.711   3.785
  293   HH21  ARG  37          HH11      ARG  37  14.847  18.268   5.624
  294   HH22  ARG  37          HH12      ARG  37  16.005  19.553   5.549
  295    H    CYS  38           HN       CYS  38  11.984  13.970   1.069
  296    HA   CYS  38           HA       CYS  38   9.334  15.249   0.698
  297    HB2  CYS  38           HB2      CYS  38   9.779  13.292  -0.747
  298    HB3  CYS  38           HB1      CYS  38  10.035  12.309   0.697
  299    HG   CYS  38           HG       CYS  38   7.388  13.537   1.065
  300    H    ASN  39           HN       ASN  39   8.147  15.607   2.435
  301    HA   ASN  39           HA       ASN  39   8.871  14.257   4.978
  302    HB2  ASN  39           HB2      ASN  39   7.414  16.854   4.448
  303    HB3  ASN  39           HB1      ASN  39   7.599  16.121   6.038
  304   HD21  ASN  39          HD21      ASN  39   8.727  18.704   5.319
  305   HD22  ASN  39          HD22      ASN  39  10.416  18.554   5.397
  306    H    VAL  40           HN       VAL  40   7.195  13.461   6.310
  307    HA   VAL  40           HA       VAL  40   4.641  12.894   4.888
  308    HB   VAL  40           HB       VAL  40   5.880  10.835   5.003
  309   HG11  VAL  40          HG11      VAL  40   7.433  11.702   6.852
  310   HG12  VAL  40          HG12      VAL  40   6.952  10.012   6.971
  311   HG13  VAL  40          HG13      VAL  40   6.175  11.222   7.987
  312   HG21  VAL  40          HG21      VAL  40   4.045  10.740   7.405
  313   HG22  VAL  40          HG22      VAL  40   4.362   9.472   6.223
  314   HG23  VAL  40          HG23      VAL  40   3.423  10.892   5.762
  315    H    THR  41           HN       THR  41   2.969  13.804   5.824
  316    HA   THR  41           HA       THR  41   3.105  14.582   8.677
  317    HB   THR  41           HB       THR  41   1.176  15.355   6.478
  318    HG1  THR  41           HG1      THR  41   2.238  17.282   6.558
  319   HG21  THR  41          HG21      THR  41   0.449  17.053   8.241
  320   HG22  THR  41          HG22      THR  41   1.309  16.055   9.414
  321   HG23  THR  41          HG23      THR  41  -0.055  15.386   8.518
  322    H    PHE  42           HN       PHE  42   2.210  13.288  10.137
  323    HA   PHE  42           HA       PHE  42  -0.291  11.872   9.497
  324    HB2  PHE  42           HB2      PHE  42   1.911  10.432   9.159
  325    HB3  PHE  42           HB1      PHE  42   1.888  10.333  10.919
  326    HD1  PHE  42           HD1      PHE  42  -0.489  10.105   8.067
  327    HD2  PHE  42           HD2      PHE  42   0.714   8.483  11.843
  328    HE1  PHE  42           HE1      PHE  42  -2.258   8.393   7.871
  329    HE2  PHE  42           HE2      PHE  42  -1.062   6.744  11.649
  330    HZ   PHE  42           HZ       PHE  42  -2.541   6.709   9.676
  331    H    CYS  43           HN       CYS  43  -1.672  11.767  11.224
  332    HA   CYS  43           HA       CYS  43  -2.555  12.417  13.259
  333    HB2  CYS  43           HB2      CYS  43   0.050  11.424  14.409
  334    HB3  CYS  43           HB1      CYS  43  -1.561  11.348  15.123
  335    HG   CYS  43           HG       CYS  43  -0.941   9.713  12.535
  336    H    GLY  44           HN       GLY  44  -1.273  14.509  11.899
  337    HA2  GLY  44           HA2      GLY  44  -0.639  16.696  12.271
  338    HA3  GLY  44           HA1      GLY  44  -0.995  16.415  13.971
  339    H    GLN  45           HN       GLN  45   1.372  14.546  12.158
  340    HA   GLN  45           HA       GLN  45   3.589  15.982  13.495
  341    HB2  GLN  45           HB2      GLN  45   3.155  12.993  13.477
  342    HB3  GLN  45           HB1      GLN  45   4.630  13.802  14.011
  343    HG2  GLN  45           HG2      GLN  45   3.379  14.999  15.740
  344    HG3  GLN  45           HG1      GLN  45   1.878  14.260  15.186
  345   HE21  GLN  45          HE21      GLN  45   1.485  12.027  15.735
  346   HE22  GLN  45          HE22      GLN  45   2.477  11.179  16.822
  347    H    THR  46           HN       THR  46   5.130  16.509  12.090
  348    HA   THR  46           HA       THR  46   5.215  15.095   9.486
  349    HB   THR  46           HB       THR  46   6.351  17.807  10.184
  350    HG1  THR  46           HG1      THR  46   4.137  17.914  10.344
  351   HG21  THR  46          HG21      THR  46   5.862  16.329   7.588
  352   HG22  THR  46          HG22      THR  46   7.421  16.807   8.263
  353   HG23  THR  46          HG23      THR  46   6.297  18.035   7.679
  354    H    PHE  47           HN       PHE  47   6.688  13.530   9.535
  355    HA   PHE  47           HA       PHE  47   9.190  13.887  11.016
  356    HB2  PHE  47           HB2      PHE  47   7.924  11.525   9.629
  357    HB3  PHE  47           HB1      PHE  47   9.561  11.482  10.284
  358    HD1  PHE  47           HD1      PHE  47   6.019  12.080  11.131
  359    HD2  PHE  47           HD2      PHE  47   9.938  11.246  12.649
  360    HE1  PHE  47           HE1      PHE  47   5.050  11.637  13.370
  361    HE2  PHE  47           HE2      PHE  47   8.980  10.809  14.896
  362    HZ   PHE  47           HZ       PHE  47   6.531  11.007  15.257
  363    H    GLN  48           HN       GLN  48  11.189  13.984  10.055
  364    HA   GLN  48           HA       GLN  48  11.381  13.860   7.121
  365    HB2  GLN  48           HB2      GLN  48  12.635  16.001   7.090
  366    HB3  GLN  48           HB1      GLN  48  10.955  16.215   7.582
  367    HG2  GLN  48           HG2      GLN  48  11.648  16.213   9.954
  368    HG3  GLN  48           HG1      GLN  48  13.329  16.006   9.461
  369   HE21  GLN  48          HE21      GLN  48  11.990  18.335  10.890
  370   HE22  GLN  48          HE22      GLN  48  12.353  19.689   9.933
  371    H    SER  49           HN       SER  49  13.378  13.264   6.370
  372    HA   SER  49           HA       SER  49  15.173  12.058   8.315
  373    HB2  SER  49           HB2      SER  49  16.105  10.911   6.511
  374    HB3  SER  49           HB1      SER  49  14.435  11.128   5.996
  375    HG   SER  49           HG       SER  49  15.277  12.114   4.343
  376    H    SER  50           HN       SER  50  17.524  12.403   8.167
  377    HA   SER  50           HA       SER  50  18.139  15.269   7.946
  378    HB2  SER  50           HB2      SER  50  20.137  14.742   9.203
  379    HB3  SER  50           HB1      SER  50  18.764  13.974   9.995
  380    HG   SER  50           HG       SER  50  20.937  12.872   8.722
  381    H    GLU  51           HN       GLU  51  18.299  12.509   6.058
  382    HA   GLU  51           HA       GLU  51  20.576  13.577   4.471
  383    HB2  GLU  51           HB2      GLU  51  21.001  11.336   5.451
  384    HB3  GLU  51           HB1      GLU  51  19.581  10.719   4.606
  385    HG2  GLU  51           HG2      GLU  51  20.576  11.275   2.447
  386    HG3  GLU  51           HG1      GLU  51  21.959  12.022   3.246
  387    H    PHE  52           HN       PHE  52  20.398  13.523   2.226
  388    HA   PHE  52           HA       PHE  52  17.612  13.651   1.232
  389    HB2  PHE  52           HB2      PHE  52  18.956  14.770  -0.792
  390    HB3  PHE  52           HB1      PHE  52  18.507  15.699   0.638
  391    HD1  PHE  52           HD2      PHE  52  20.092  15.563   2.592
  392    HD2  PHE  52           HD1      PHE  52  21.240  14.727  -1.424
  393    HE1  PHE  52           HE2      PHE  52  22.469  16.046   3.195
  394    HE2  PHE  52           HE1      PHE  52  23.627  15.200  -0.858
  395    HZ   PHE  52           HZ       PHE  52  24.231  15.858   1.462
  396    H    PHE  53           HN       PHE  53  16.940  12.346  -0.189
  397    HA   PHE  53           HA       PHE  53  18.588  10.111  -1.067
  398    HB2  PHE  53           HB2      PHE  53  15.729  10.415  -1.931
  399    HB3  PHE  53           HB1      PHE  53  16.611   8.961  -1.450
  400    HD1  PHE  53           HD1      PHE  53  15.003  12.048  -0.211
  401    HD2  PHE  53           HD2      PHE  53  16.717   8.281   0.860
  402    HE1  PHE  53           HE1      PHE  53  14.105  12.319   2.079
  403    HE2  PHE  53           HE2      PHE  53  15.838   8.555   3.143
  404    HZ   PHE  53           HZ       PHE  53  14.527  10.552   3.769
  405    HA   PRO  54           HA       PRO  54  19.184  11.793  -5.151
  406    HB2  PRO  54           HB2      PRO  54  19.840   9.574  -6.548
  407    HB3  PRO  54           HB1      PRO  54  20.893  10.214  -5.268
  408    HG2  PRO  54           HG2      PRO  54  18.932   7.955  -5.136
  409    HG3  PRO  54           HG1      PRO  54  20.590   8.039  -4.514
  410    HD2  PRO  54           HD2      PRO  54  18.383   8.442  -2.927
  411    HD3  PRO  54           HD1      PRO  54  19.964   9.194  -2.613
  412    H    THR  55           HN       THR  55  16.536   9.806  -4.397
  413    HA   THR  55           HA       THR  55  15.260  10.373  -7.015
  414    HB   THR  55           HB       THR  55  15.188   7.761  -5.484
  415    HG1  THR  55           HG1      THR  55  15.799   7.844  -8.154
  416   HG21  THR  55          HG21      THR  55  13.782   7.066  -7.515
  417   HG22  THR  55          HG22      THR  55  13.579   8.790  -7.825
  418   HG23  THR  55          HG23      THR  55  12.984   8.089  -6.319
  419    H    LEU  56           HN       LEU  56  13.029  10.660  -6.977
  420    HA   LEU  56           HA       LEU  56  12.046  11.961  -4.697
  421    HB2  LEU  56           HB2      LEU  56  11.323  11.818  -7.334
  422    HB3  LEU  56           HB1      LEU  56   9.982  10.976  -6.561
  423    HG   LEU  56           HG       LEU  56  11.010  13.722  -5.784
  424   HD11  LEU  56          HD11      LEU  56   8.645  12.793  -7.392
  425   HD12  LEU  56          HD12      LEU  56   9.945  13.869  -7.897
  426   HD13  LEU  56          HD13      LEU  56   8.766  14.411  -6.704
  427   HD21  LEU  56          HD21      LEU  56   8.698  12.014  -4.809
  428   HD22  LEU  56          HD22      LEU  56   8.806  13.745  -4.499
  429   HD23  LEU  56          HD23      LEU  56  10.029  12.656  -3.846
  430    H    LYS  57           HN       LYS  57  10.758   8.891  -6.110
  431    HA   LYS  57           HA       LYS  57   9.063   8.267  -4.046
  432    HB2  LYS  57           HB2      LYS  57  10.657   6.467  -5.888
  433    HB3  LYS  57           HB1      LYS  57   9.363   5.889  -4.838
  434    HG2  LYS  57           HG2      LYS  57   7.767   7.400  -5.941
  435    HG3  LYS  57           HG1      LYS  57   9.057   8.027  -6.971
  436    HD2  LYS  57           HD2      LYS  57   9.421   5.739  -7.867
  437    HD3  LYS  57           HD1      LYS  57   8.072   5.160  -6.891
  438    HE2  LYS  57           HE2      LYS  57   7.856   7.346  -8.982
  439    HE3  LYS  57           HE1      LYS  57   7.422   5.659  -9.254
  440    HZ1  LYS  57           HZ1      LYS  57   6.230   7.444  -7.203
  441    HZ2  LYS  57           HZ2      LYS  57   5.819   5.815  -7.455
  442    HZ3  LYS  57           HZ3      LYS  57   5.491   6.973  -8.655
  443    H    SER  58           HN       SER  58  12.526   7.731  -4.292
  444    HA   SER  58           HA       SER  58  12.877   5.922  -2.201
  445    HB2  SER  58           HB2      SER  58  14.755   6.439  -3.584
  446    HB3  SER  58           HB1      SER  58  14.631   8.159  -3.230
  447    HG   SER  58           HG       SER  58  15.972   6.270  -1.909
  448    H    ALA  59           HN       ALA  59  12.485   9.412  -2.184
  449    HA   ALA  59           HA       ALA  59  13.024   9.805   0.585
  450    HB1  ALA  59           HB1      ALA  59  13.022  11.539  -1.303
  451    HB2  ALA  59           HB2      ALA  59  12.311  12.031   0.234
  452    HB3  ALA  59           HB3      ALA  59  11.275  11.566  -1.116
  453    H    GLU  60           HN       GLU  60  10.029   9.307  -1.267
  454    HA   GLU  60           HA       GLU  60   8.208   9.717   0.871
  455    HB2  GLU  60           HB2      GLU  60   8.005   8.118  -1.692
  456    HB3  GLU  60           HB1      GLU  60   6.651   8.361  -0.586
  457    HG2  GLU  60           HG2      GLU  60   6.797  10.767  -0.857
  458    HG3  GLU  60           HG1      GLU  60   8.253  10.608  -1.837
  459    H    HIS  61           HN       HIS  61   9.776   6.783  -0.391
  460    HA   HIS  61           HA       HIS  61   8.457   4.978   1.359
  461    HB2  HIS  61           HB2      HIS  61  11.145   4.676  -0.005
  462    HB3  HIS  61           HB1      HIS  61  10.168   3.373   0.672
  463    HD2  HIS  61           HD2      HIS  61  10.733   4.781  -2.715
  464    HE1  HIS  61           HE1      HIS  61   6.676   3.619  -2.779
  465    HE2  HIS  61           HE2      HIS  61   8.637   4.354  -4.213
  466    H    ALA  62           HN       ALA  62  11.627   6.586   1.493
  467    HA   ALA  62           HA       ALA  62  12.454   5.401   3.933
  468    HB1  ALA  62           HB1      ALA  62  13.366   8.094   2.930
  469    HB2  ALA  62           HB2      ALA  62  13.894   6.589   2.179
  470    HB3  ALA  62           HB3      ALA  62  14.276   6.911   3.869
  471    H    ALA  63           HN       ALA  63  10.778   8.431   3.181
  472    HA   ALA  63           HA       ALA  63  10.841   9.550   5.772
  473    HB1  ALA  63           HB1      ALA  63   8.674   9.884   3.680
  474    HB2  ALA  63           HB2      ALA  63  10.197  10.773   3.686
  475    HB3  ALA  63           HB3      ALA  63   9.046  10.990   5.004
  476    H    ALA  64           HN       ALA  64   8.414   7.465   4.184
  477    HA   ALA  64           HA       ALA  64   6.544   7.457   6.262
  478    HB1  ALA  64           HB1      ALA  64   7.203   5.496   4.076
  479    HB2  ALA  64           HB2      ALA  64   5.815   6.571   4.212
  480    HB3  ALA  64           HB3      ALA  64   5.934   5.155   5.255
  481    H    LYS  65           HN       LYS  65   9.435   5.478   5.757
  482    HA   LYS  65           HA       LYS  65   9.055   3.573   7.771
  483    HB2  LYS  65           HB2      LYS  65  10.863   3.502   6.072
  484    HB3  LYS  65           HB1      LYS  65  11.647   4.856   6.883
  485    HG2  LYS  65           HG2      LYS  65  11.932   3.551   8.914
  486    HG3  LYS  65           HG1      LYS  65  11.007   2.218   8.225
  487    HD2  LYS  65           HD2      LYS  65  13.284   1.595   7.936
  488    HD3  LYS  65           HD1      LYS  65  12.758   2.164   6.354
  489    HE2  LYS  65           HE2      LYS  65  13.861   4.273   6.644
  490    HE3  LYS  65           HE1      LYS  65  14.140   3.967   8.359
  491    HZ1  LYS  65           HZ1      LYS  65  16.145   3.348   7.552
  492    HZ2  LYS  65           HZ2      LYS  65  15.540   2.915   6.024
  493    HZ3  LYS  65           HZ3      LYS  65  15.348   1.865   7.347
  494    H    ILE  66           HN       ILE  66  10.713   6.774   7.945
  495    HA   ILE  66           HA       ILE  66  11.469   6.616  10.609
  496    HB   ILE  66           HB       ILE  66  10.613   9.094   9.076
  497   HG12  ILE  66          HG12      ILE  66  13.382   7.883   9.346
  498   HG13  ILE  66          HG11      ILE  66  12.355   7.654   7.930
  499   HG21  ILE  66          HG21      ILE  66  10.875   9.469  11.484
  500   HG22  ILE  66          HG22      ILE  66  12.197  10.229  10.598
  501   HG23  ILE  66          HG23      ILE  66  12.462   8.704  11.446
  502   HD11  ILE  66          HD11      ILE  66  13.976   9.541   7.655
  503   HD12  ILE  66          HD12      ILE  66  13.201  10.362   9.009
  504   HD13  ILE  66          HD13      ILE  66  12.296  10.059   7.529
  505    H    ALA  67           HN       ALA  67   8.504   7.981   9.196
  506    HA   ALA  67           HA       ALA  67   7.306   8.707  11.658
  507    HB1  ALA  67           HB1      ALA  67   6.225   8.189   8.897
  508    HB2  ALA  67           HB2      ALA  67   6.417   9.727   9.736
  509    HB3  ALA  67           HB3      ALA  67   5.160   8.602  10.242
  510    H    VAL  68           HN       VAL  68   7.026   5.794   9.638
  511    HA   VAL  68           HA       VAL  68   5.051   4.460  11.095
  512    HB   VAL  68           HB       VAL  68   7.309   3.532   9.317
  513   HG11  VAL  68          HG11      VAL  68   7.084   1.645  10.729
  514   HG12  VAL  68          HG12      VAL  68   6.039   1.284   9.354
  515   HG13  VAL  68          HG13      VAL  68   5.336   1.853  10.870
  516   HG21  VAL  68          HG21      VAL  68   5.188   4.712   8.466
  517   HG22  VAL  68          HG22      VAL  68   4.323   3.253   8.949
  518   HG23  VAL  68          HG23      VAL  68   5.584   3.163   7.721
  519    H    ALA  69           HN       ALA  69   8.595   4.496  11.482
  520    HA   ALA  69           HA       ALA  69   8.721   2.555  13.520
  521    HB1  ALA  69           HB1      ALA  69  10.939   3.456  13.950
  522    HB2  ALA  69           HB2      ALA  69  10.551   4.920  13.045
  523    HB3  ALA  69           HB3      ALA  69  10.668   3.369  12.211
  524    H    SER  70           HN       SER  70   7.930   5.968  13.551
  525    HA   SER  70           HA       SER  70   8.315   6.438  16.329
  526    HB2  SER  70           HB2      SER  70   7.984   8.162  14.453
  527    HB3  SER  70           HB1      SER  70   6.259   7.852  14.641
  528    HG   SER  70           HG       SER  70   7.648   8.234  16.992
  529    H    LEU  71           HN       LEU  71   5.484   5.438  14.443
  530    HA   LEU  71           HA       LEU  71   3.641   5.439  16.608
  531    HB2  LEU  71           HB2      LEU  71   3.528   3.744  14.104
  532    HB3  LEU  71           HB1      LEU  71   2.172   4.214  15.132
  533    HG   LEU  71           HG       LEU  71   3.929   6.116  13.551
  534   HD11  LEU  71          HD11      LEU  71   2.281   4.632  12.277
  535   HD12  LEU  71          HD12      LEU  71   2.082   6.372  12.063
  536   HD13  LEU  71          HD13      LEU  71   1.001   5.486  13.138
  537   HD21  LEU  71          HD21      LEU  71   1.665   6.507  15.508
  538   HD22  LEU  71          HD22      LEU  71   1.940   7.685  14.223
  539   HD23  LEU  71          HD23      LEU  71   3.205   7.362  15.406
  540    H    THR  72           HN       THR  72   5.960   3.104  15.439
  541    HA   THR  72           HA       THR  72   4.912   0.920  17.032
  542    HB   THR  72           HB       THR  72   6.939  -0.271  16.257
  543    HG1  THR  72           HG1      THR  72   8.547   0.811  15.460
  544   HG21  THR  72          HG21      THR  72   6.399  -0.177  13.835
  545   HG22  THR  72          HG22      THR  72   5.459   1.288  14.120
  546   HG23  THR  72          HG23      THR  72   4.946  -0.242  14.833
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1   9.162  -4.326  -0.944
    2    H2   MET   1           HT2      MET   1  10.679  -4.881  -1.471
    3    H3   MET   1           HT3      MET   1  10.265  -3.243  -1.639
    4    HA   MET   1           HA       MET   1   9.992  -3.999   1.064
    5    HB2  MET   1           HB2      MET   1  12.626  -4.632  -0.293
    6    HB3  MET   1           HB1      MET   1  12.454  -4.405   1.450
    7    HG2  MET   1           HG2      MET   1  10.836  -6.243   1.556
    8    HG3  MET   1           HG1      MET   1  10.927  -6.444  -0.193
    9    HE1  MET   1           HE1      MET   1  14.130  -5.783   2.349
   10    HE2  MET   1           HE2      MET   1  13.981  -7.403   3.026
   11    HE3  MET   1           HE3      MET   1  12.604  -6.305   3.074
   12    H    ASP   2           HN       ASP   2  11.375  -2.267  -1.604
   13    HA   ASP   2           HA       ASP   2  12.349  -0.085   0.094
   14    HB2  ASP   2           HB2      ASP   2  13.058   0.898  -2.105
   15    HB3  ASP   2           HB1      ASP   2  13.788  -0.664  -1.738
   16    H    HIS   3           HN       HIS   3   9.425  -1.014  -1.100
   17    HA   HIS   3           HA       HIS   3   8.393   1.731  -0.961
   18    HB2  HIS   3           HB2      HIS   3   8.806   1.273  -3.367
   19    HB3  HIS   3           HB1      HIS   3   7.743  -0.131  -3.258
   20    HD2  HIS   3           HD2      HIS   3   6.270   2.678  -1.150
   21    HE1  HIS   3           HE1      HIS   3   4.440   3.023  -4.935
   22    HE2  HIS   3           HE2      HIS   3   4.358   3.799  -2.519
   23    H    VAL   4           HN       VAL   4   8.263  -0.645   0.788
   24    HA   VAL   4           HA       VAL   4   5.480  -1.512   0.566
   25    HB   VAL   4           HB       VAL   4   6.102  -2.932   2.514
   26   HG11  VAL   4          HG11      VAL   4   7.489  -4.458   1.214
   27   HG12  VAL   4          HG12      VAL   4   7.980  -3.144   0.145
   28   HG13  VAL   4          HG13      VAL   4   6.305  -3.700   0.150
   29   HG21  VAL   4          HG21      VAL   4   8.914  -1.943   1.982
   30   HG22  VAL   4          HG22      VAL   4   8.391  -3.055   3.247
   31   HG23  VAL   4          HG23      VAL   4   7.924  -1.355   3.321
   32    H    TYR   5           HN       TYR   5   7.376   0.864   2.183
   33    HA   TYR   5           HA       TYR   5   5.997   1.116   4.609
   34    HB2  TYR   5           HB2      TYR   5   7.154   3.435   3.072
   35    HB3  TYR   5           HB1      TYR   5   7.065   3.205   4.817
   36    HD1  TYR   5           HD1      TYR   5   8.697   1.993   1.709
   37    HD2  TYR   5           HD2      TYR   5   8.726   1.987   5.990
   38    HE1  TYR   5           HE1      TYR   5  10.926   0.909   1.689
   39    HE2  TYR   5           HE2      TYR   5  10.946   0.898   5.984
   40    HH   TYR   5           HH       TYR   5  12.370  -0.346   3.057
   41    H    LYS   6           HN       LYS   6   5.419   2.597   1.434
   42    HA   LYS   6           HA       LYS   6   3.349   4.332   2.183
   43    HB2  LYS   6           HB2      LYS   6   4.497   4.364  -0.024
   44    HB3  LYS   6           HB1      LYS   6   3.654   2.875  -0.455
   45    HG2  LYS   6           HG2      LYS   6   1.489   3.997  -0.195
   46    HG3  LYS   6           HG1      LYS   6   2.300   5.482   0.304
   47    HD2  LYS   6           HD2      LYS   6   3.435   5.593  -1.890
   48    HD3  LYS   6           HD1      LYS   6   2.601   4.120  -2.390
   49    HE2  LYS   6           HE2      LYS   6   0.426   5.243  -2.085
   50    HE3  LYS   6           HE1      LYS   6   1.258   6.718  -1.590
   51    HZ1  LYS   6           HZ1      LYS   6   0.769   5.725  -4.208
   52    HZ2  LYS   6           HZ2      LYS   6   2.431   5.981  -3.961
   53    HZ3  LYS   6           HZ3      LYS   6   1.329   7.252  -3.727
   54    H    GLY   7           HN       GLY   7   3.295   0.920   1.248
   55    HA2  GLY   7           HA2      GLY   7   0.409   0.741   1.368
   56    HA3  GLY   7           HA1      GLY   7   1.535  -0.594   1.133
   57    H    GLN   8           HN       GLN   8   3.075   0.351   3.570
   58    HA   GLN   8           HA       GLN   8   1.640  -1.264   5.474
   59    HB2  GLN   8           HB2      GLN   8   4.114  -1.303   5.276
   60    HB3  GLN   8           HB1      GLN   8   4.165   0.364   5.844
   61    HG2  GLN   8           HG2      GLN   8   4.588  -1.130   7.720
   62    HG3  GLN   8           HG1      GLN   8   3.019  -0.361   7.946
   63   HE21  GLN   8          HE21      GLN   8   2.445  -2.270   9.327
   64   HE22  GLN   8          HE22      GLN   8   1.976  -3.722   8.582
   65    H    LEU   9           HN       LEU   9   2.662   2.119   5.330
   66    HA   LEU   9           HA       LEU   9   1.436   2.910   7.742
   67    HB2  LEU   9           HB2      LEU   9   3.208   4.211   6.531
   68    HB3  LEU   9           HB1      LEU   9   1.989   4.651   5.336
   69    HG   LEU   9           HG       LEU   9   0.598   5.608   7.213
   70   HD11  LEU   9          HD11      LEU   9   3.043   4.790   8.778
   71   HD12  LEU   9          HD12      LEU   9   1.340   4.659   9.220
   72   HD13  LEU   9          HD13      LEU   9   2.139   6.224   9.272
   73   HD21  LEU   9          HD21      LEU   9   1.888   7.672   7.358
   74   HD22  LEU   9          HD22      LEU   9   2.059   6.992   5.739
   75   HD23  LEU   9          HD23      LEU   9   3.365   6.816   6.911
   76    H    GLN  10           HN       GLN  10   0.321   2.914   4.431
   77    HA   GLN  10           HA       GLN  10  -2.057   4.277   4.917
   78    HB2  GLN  10           HB2      GLN  10  -1.109   3.764   2.645
   79    HB3  GLN  10           HB1      GLN  10  -1.638   2.096   2.856
   80    HG2  GLN  10           HG2      GLN  10  -3.330   3.232   1.575
   81    HG3  GLN  10           HG1      GLN  10  -3.987   2.972   3.190
   82   HE21  GLN  10          HE21      GLN  10  -1.806   5.487   1.782
   83   HE22  GLN  10          HE22      GLN  10  -2.725   6.798   2.348
   84    H    ALA  11           HN       ALA  11  -1.299   0.838   5.099
   85    HA   ALA  11           HA       ALA  11  -3.940  -0.067   5.584
   86    HB1  ALA  11           HB1      ALA  11  -2.155  -1.586   4.871
   87    HB2  ALA  11           HB2      ALA  11  -2.842  -2.122   6.405
   88    HB3  ALA  11           HB3      ALA  11  -1.287  -1.292   6.379
   89    H    TYR  12           HN       TYR  12  -1.336   1.059   7.692
   90    HA   TYR  12           HA       TYR  12  -2.454   0.303  10.164
   91    HB2  TYR  12           HB2      TYR  12  -0.141   1.031   9.991
   92    HB3  TYR  12           HB1      TYR  12  -0.656   2.637   9.474
   93    HD1  TYR  12           HD1      TYR  12  -0.616   0.248  12.309
   94    HD2  TYR  12           HD2      TYR  12  -1.483   4.260  11.047
   95    HE1  TYR  12           HE1      TYR  12  -0.824   0.950  14.680
   96    HE2  TYR  12           HE2      TYR  12  -1.690   4.963  13.417
   97    HH   TYR  12           HH       TYR  12  -2.022   4.109  15.562
   98    H    ALA  13           HN       ALA  13  -2.673   3.399   8.400
   99    HA   ALA  13           HA       ALA  13  -4.292   4.752  10.222
  100    HB1  ALA  13           HB1      ALA  13  -3.123   5.494   7.945
  101    HB2  ALA  13           HB2      ALA  13  -4.521   6.368   8.570
  102    HB3  ALA  13           HB3      ALA  13  -4.725   5.179   7.283
  103    H    LEU  14           HN       LEU  14  -5.219   2.805   7.394
  104    HA   LEU  14           HA       LEU  14  -7.999   3.098   7.715
  105    HB2  LEU  14           HB2      LEU  14  -6.984   2.279   5.633
  106    HB3  LEU  14           HB1      LEU  14  -6.451   0.817   6.460
  107    HG   LEU  14           HG       LEU  14  -8.861   0.298   6.983
  108   HD11  LEU  14          HD11      LEU  14  -9.240   2.836   5.405
  109   HD12  LEU  14          HD12      LEU  14 -10.025   2.326   6.898
  110   HD13  LEU  14          HD13      LEU  14 -10.483   1.583   5.368
  111   HD21  LEU  14          HD21      LEU  14  -9.458  -0.267   4.590
  112   HD22  LEU  14          HD22      LEU  14  -7.876  -0.831   5.129
  113   HD23  LEU  14          HD23      LEU  14  -7.999   0.599   4.103
  114    H    GLN  15           HN       GLN  15  -5.747   0.613   8.878
  115    HA   GLN  15           HA       GLN  15  -7.694  -1.055  10.052
  116    HB2  GLN  15           HB2      GLN  15  -5.404  -1.813   9.598
  117    HB3  GLN  15           HB1      GLN  15  -4.787  -0.690  10.812
  118    HG2  GLN  15           HG2      GLN  15  -5.970  -1.842  12.578
  119    HG3  GLN  15           HG1      GLN  15  -6.810  -2.865  11.414
  120   HE21  GLN  15          HE21      GLN  15  -5.210  -4.005  13.494
  121   HE22  GLN  15          HE22      GLN  15  -3.854  -4.739  12.781
  122    H    HIS  16           HN       HIS  16  -5.891   1.721  11.260
  123    HA   HIS  16           HA       HIS  16  -7.141   1.488  13.910
  124    HB2  HIS  16           HB2      HIS  16  -4.965   3.264  12.799
  125    HB3  HIS  16           HB1      HIS  16  -5.649   3.473  14.411
  126    HD2  HIS  16           HD2      HIS  16  -4.435   1.876  16.315
  127    HE1  HIS  16           HE1      HIS  16  -2.646  -0.914  13.700
  128    HE2  HIS  16           HE2      HIS  16  -2.871  -0.206  16.128
  129    H    ASN  17           HN       ASN  17  -7.942   2.769  10.973
  130    HA   ASN  17           HA       ASN  17  -9.483   4.330  10.288
  131    HB2  ASN  17           HB2      ASN  17 -10.827   3.110  12.046
  132    HB3  ASN  17           HB1      ASN  17 -10.376   4.389  13.173
  133   HD21  ASN  17          HD21      ASN  17 -13.106   3.989  12.464
  134   HD22  ASN  17          HD22      ASN  17 -13.625   5.317  11.542
  135    H    LEU  18           HN       LEU  18  -7.353   5.623  10.209
  136    HA   LEU  18           HA       LEU  18  -7.659   8.085  11.848
  137    HB2  LEU  18           HB2      LEU  18  -5.092   6.835  10.846
  138    HB3  LEU  18           HB1      LEU  18  -5.218   8.342  11.751
  139    HG   LEU  18           HG       LEU  18  -6.208   5.666  12.783
  140   HD11  LEU  18          HD11      LEU  18  -4.184   5.747  14.246
  141   HD12  LEU  18          HD12      LEU  18  -3.613   7.138  13.325
  142   HD13  LEU  18          HD13      LEU  18  -3.789   5.570  12.536
  143   HD21  LEU  18          HD21      LEU  18  -5.944   7.041  15.003
  144   HD22  LEU  18          HD22      LEU  18  -7.356   7.340  13.993
  145   HD23  LEU  18          HD23      LEU  18  -5.985   8.450  13.942
  146    H    GLU  19           HN       GLU  19  -7.242  10.044  10.820
  147    HA   GLU  19           HA       GLU  19  -8.177  10.430   8.283
  148    HB2  GLU  19           HB2      GLU  19  -6.112  12.031   9.804
  149    HB3  GLU  19           HB1      GLU  19  -6.872  12.581   8.309
  150    HG2  GLU  19           HG2      GLU  19  -9.076  12.469   9.339
  151    HG3  GLU  19           HG1      GLU  19  -8.389  11.788  10.811
  152    H    LEU  20           HN       LEU  20  -7.424  10.243   6.273
  153    HA   LEU  20           HA       LEU  20  -5.418   8.547   5.595
  154    HB2  LEU  20           HB2      LEU  20  -5.317   9.851   3.384
  155    HB3  LEU  20           HB1      LEU  20  -6.869   9.163   3.856
  156    HG   LEU  20           HG       LEU  20  -6.426  11.898   4.941
  157   HD11  LEU  20          HD11      LEU  20  -6.488  11.427   1.959
  158   HD12  LEU  20          HD12      LEU  20  -5.329  12.377   2.887
  159   HD13  LEU  20          HD13      LEU  20  -6.986  12.951   2.695
  160   HD21  LEU  20          HD21      LEU  20  -8.670  10.898   3.178
  161   HD22  LEU  20          HD22      LEU  20  -8.726  12.161   4.408
  162   HD23  LEU  20          HD23      LEU  20  -8.568  10.470   4.884
  163    HA   PRO  21           HA       PRO  21  -1.636  10.780   6.408
  164    HB2  PRO  21           HB2      PRO  21   0.097   9.389   4.831
  165    HB3  PRO  21           HB1      PRO  21  -0.628   8.675   6.282
  166    HG2  PRO  21           HG2      PRO  21  -1.421   8.335   3.420
  167    HG3  PRO  21           HG1      PRO  21  -1.282   7.114   4.698
  168    HD2  PRO  21           HD2      PRO  21  -3.679   8.203   3.946
  169    HD3  PRO  21           HD1      PRO  21  -3.352   7.620   5.593
  170    H    VAL  22           HN       VAL  22  -0.172  12.270   5.493
  171    HA   VAL  22           HA       VAL  22  -0.648  13.029   2.668
  172    HB   VAL  22           HB       VAL  22  -0.544  14.860   5.080
  173   HG11  VAL  22          HG11      VAL  22  -0.828  16.667   3.275
  174   HG12  VAL  22          HG12      VAL  22  -0.275  15.447   2.126
  175   HG13  VAL  22          HG13      VAL  22   0.782  15.965   3.439
  176   HG21  VAL  22          HG21      VAL  22  -2.731  13.794   4.468
  177   HG22  VAL  22          HG22      VAL  22  -2.609  14.556   2.883
  178   HG23  VAL  22          HG23      VAL  22  -2.747  15.552   4.332
  179    H    TYR  23           HN       TYR  23   1.111  13.269   1.533
  180    HA   TYR  23           HA       TYR  23   3.751  13.301   2.859
  181    HB2  TYR  23           HB2      TYR  23   2.910  12.399   0.126
  182    HB3  TYR  23           HB1      TYR  23   4.581  12.524   0.678
  183    HD1  TYR  23           HD1      TYR  23   1.304  11.041   1.714
  184    HD2  TYR  23           HD2      TYR  23   5.561  10.736   1.759
  185    HE1  TYR  23           HE1      TYR  23   1.124   8.839   2.821
  186    HE2  TYR  23           HE2      TYR  23   5.421   8.522   2.858
  187    HH   TYR  23           HH       TYR  23   2.252   7.177   3.829
  188    H    ALA  24           HN       ALA  24   5.396  14.655   2.076
  189    HA   ALA  24           HA       ALA  24   4.453  16.981   0.465
  190    HB1  ALA  24           HB1      ALA  24   5.650  18.468   1.825
  191    HB2  ALA  24           HB2      ALA  24   6.693  17.202   2.468
  192    HB3  ALA  24           HB3      ALA  24   5.019  17.324   3.009
  193    H    ASN  25           HN       ASN  25   5.661  17.484  -1.267
  194    HA   ASN  25           HA       ASN  25   8.162  15.934  -1.704
  195    HB2  ASN  25           HB2      ASN  25   6.134  16.969  -3.693
  196    HB3  ASN  25           HB1      ASN  25   7.654  16.186  -4.121
  197   HD21  ASN  25          HD21      ASN  25   4.505  15.445  -4.063
  198   HD22  ASN  25          HD22      ASN  25   4.565  13.827  -3.550
  199    H    GLU  26           HN       GLU  26   9.957  17.031  -1.852
  200    HA   GLU  26           HA       GLU  26   9.878  19.856  -2.799
  201    HB2  GLU  26           HB2      GLU  26  11.802  18.949  -0.666
  202    HB3  GLU  26           HB1      GLU  26  11.352  20.585  -1.120
  203    HG2  GLU  26           HG2      GLU  26   9.069  20.217  -0.286
  204    HG3  GLU  26           HG1      GLU  26   9.492  18.567   0.172
  205    H    ARG  27           HN       ARG  27  11.214  20.224  -4.462
  206    HA   ARG  27           HA       ARG  27  13.505  18.384  -4.887
  207    HB2  ARG  27           HB2      ARG  27  11.597  17.861  -6.411
  208    HB3  ARG  27           HB1      ARG  27  11.692  19.506  -7.040
  209    HG2  ARG  27           HG2      ARG  27  14.067  19.084  -7.688
  210    HG3  ARG  27           HG1      ARG  27  13.892  17.420  -7.133
  211    HD2  ARG  27           HD2      ARG  27  13.545  17.439  -9.517
  212    HD3  ARG  27           HD1      ARG  27  11.984  17.163  -8.748
  213    HE   ARG  27           HE       ARG  27  12.345  19.940  -9.152
  214   HH11  ARG  27          HH21      ARG  27  11.837  16.973 -10.855
  215   HH12  ARG  27          HH22      ARG  27  10.995  17.713 -12.175
  216   HH21  ARG  27          HH11      ARG  27  11.240  20.921 -10.882
  217   HH22  ARG  27          HH12      ARG  27  10.657  19.948 -12.190
  218    H    GLU  28           HN       GLU  28  15.349  19.530  -4.773
  219    HA   GLU  28           HA       GLU  28  15.579  21.972  -6.311
  220    HB2  GLU  28           HB2      GLU  28  14.662  22.781  -4.149
  221    HB3  GLU  28           HB1      GLU  28  16.022  22.029  -3.315
  222    HG2  GLU  28           HG2      GLU  28  17.600  23.439  -4.549
  223    HG3  GLU  28           HG1      GLU  28  16.275  24.152  -5.467
  224    H    GLY  29           HN       GLY  29  17.584  22.058  -7.141
  225    HA2  GLY  29           HA2      GLY  29  19.987  21.793  -6.087
  226    HA3  GLY  29           HA1      GLY  29  19.547  20.099  -6.206
  227    HA   PRO  30           HA       PRO  30  21.044  22.366 -10.355
  228    HB2  PRO  30           HB2      PRO  30  23.507  20.785  -9.696
  229    HB3  PRO  30           HB1      PRO  30  23.362  22.349 -10.519
  230    HG2  PRO  30           HG2      PRO  30  24.108  22.115  -7.928
  231    HG3  PRO  30           HG1      PRO  30  23.236  23.520  -8.563
  232    HD2  PRO  30           HD2      PRO  30  22.248  21.401  -6.750
  233    HD3  PRO  30           HD1      PRO  30  21.582  23.012  -7.075
  234    HA   PRO  31           HA       PRO  31  19.936  18.745 -12.683
  235    HB2  PRO  31           HB2      PRO  31  22.394  19.088 -14.356
  236    HB3  PRO  31           HB1      PRO  31  20.696  18.995 -14.858
  237    HG2  PRO  31           HG2      PRO  31  22.063  21.312 -14.829
  238    HG3  PRO  31           HG1      PRO  31  20.327  21.230 -14.485
  239    HD2  PRO  31           HD2      PRO  31  22.596  21.679 -12.606
  240    HD3  PRO  31           HD1      PRO  31  20.905  22.215 -12.501
  241    H    HIS  32           HN       HIS  32  23.481  18.917 -12.251
  242    HA   HIS  32           HA       HIS  32  23.690  16.013 -12.061
  243    HB2  HIS  32           HB2      HIS  32  25.801  18.165 -11.790
  244    HB3  HIS  32           HB1      HIS  32  26.103  16.430 -11.874
  245    HD2  HIS  32           HD2      HIS  32  25.589  19.387 -14.275
  246    HE1  HIS  32           HE1      HIS  32  25.218  15.885 -16.603
  247    HE2  HIS  32           HE2      HIS  32  25.444  18.412 -16.693
  248    H    ALA  33           HN       ALA  33  22.739  18.333  -9.999
  249    HA   ALA  33           HA       ALA  33  23.574  16.745  -7.650
  250    HB1  ALA  33           HB1      ALA  33  24.270  18.634  -6.403
  251    HB2  ALA  33           HB2      ALA  33  23.633  19.757  -7.601
  252    HB3  ALA  33           HB3      ALA  33  25.059  18.793  -7.971
  253    HA   PRO  34           HA       PRO  34  19.118  18.080  -7.526
  254    HB2  PRO  34           HB2      PRO  34  17.883  15.742  -8.113
  255    HB3  PRO  34           HB1      PRO  34  18.492  16.823  -9.383
  256    HG2  PRO  34           HG2      PRO  34  19.665  14.290  -8.334
  257    HG3  PRO  34           HG1      PRO  34  19.647  14.926  -9.988
  258    HD2  PRO  34           HD2      PRO  34  21.817  15.116  -8.211
  259    HD3  PRO  34           HD1      PRO  34  21.595  16.101  -9.671
  260    H    ARG  35           HN       ARG  35  17.840  17.864  -5.691
  261    HA   ARG  35           HA       ARG  35  18.474  15.648  -3.830
  262    HB2  ARG  35           HB2      ARG  35  18.212  18.567  -3.080
  263    HB3  ARG  35           HB1      ARG  35  18.424  17.229  -1.954
  264    HG2  ARG  35           HG2      ARG  35  20.583  16.676  -2.994
  265    HG3  ARG  35           HG1      ARG  35  20.375  17.995  -4.145
  266    HD2  ARG  35           HD2      ARG  35  20.423  18.376  -1.143
  267    HD3  ARG  35           HD1      ARG  35  21.833  18.577  -2.178
  268    HE   ARG  35           HE       ARG  35  19.763  20.161  -3.225
  269   HH11  ARG  35          HH21      ARG  35  21.754  19.889  -0.408
  270   HH12  ARG  35          HH22      ARG  35  21.732  21.584  -0.059
  271   HH21  ARG  35          HH11      ARG  35  19.729  22.387  -2.773
  272   HH22  ARG  35          HH12      ARG  35  20.585  23.000  -1.397
  273    H    PHE  36           HN       PHE  36  16.700  14.648  -3.041
  274    HA   PHE  36           HA       PHE  36  14.088  16.042  -3.443
  275    HB2  PHE  36           HB2      PHE  36  14.733  13.093  -3.308
  276    HB3  PHE  36           HB1      PHE  36  13.128  13.792  -3.516
  277    HD1  PHE  36           HD2      PHE  36  12.554  15.014  -5.524
  278    HD2  PHE  36           HD1      PHE  36  16.329  13.078  -5.113
  279    HE1  PHE  36           HE2      PHE  36  12.882  15.163  -7.978
  280    HE2  PHE  36           HE1      PHE  36  16.713  13.258  -7.518
  281    HZ   PHE  36           HZ       PHE  36  14.987  14.287  -8.998
  282    H    ARG  37           HN       ARG  37  13.686  16.979  -1.488
  283    HA   ARG  37           HA       ARG  37  13.956  15.291   0.939
  284    HB2  ARG  37           HB2      ARG  37  13.635  18.295   0.599
  285    HB3  ARG  37           HB1      ARG  37  13.673  17.473   2.157
  286    HG2  ARG  37           HG2      ARG  37  15.921  16.639   1.693
  287    HG3  ARG  37           HG1      ARG  37  15.883  17.361   0.086
  288    HD2  ARG  37           HD2      ARG  37  17.123  18.826   1.588
  289    HD3  ARG  37           HD1      ARG  37  15.609  19.605   1.136
  290    HE   ARG  37           HE       ARG  37  14.864  19.367   3.346
  291   HH11  ARG  37          HH21      ARG  37  17.797  17.624   2.766
  292   HH12  ARG  37          HH22      ARG  37  18.103  17.305   4.440
  293   HH21  ARG  37          HH11      ARG  37  15.258  18.952   5.545
  294   HH22  ARG  37          HH12      ARG  37  16.664  18.056   6.015
  295    H    CYS  38           HN       CYS  38  12.130  14.149   1.172
  296    HA   CYS  38           HA       CYS  38   9.535  15.589   0.986
  297    HB2  CYS  38           HB2      CYS  38  10.012  12.630   0.617
  298    HB3  CYS  38           HB1      CYS  38   8.508  13.500   0.359
  299    HG   CYS  38           HG       CYS  38  10.713  13.267  -1.676
  300    H    ASN  39           HN       ASN  39   8.093  15.345   2.600
  301    HA   ASN  39           HA       ASN  39   8.961  13.799   4.998
  302    HB2  ASN  39           HB2      ASN  39   8.138  15.528   6.421
  303    HB3  ASN  39           HB1      ASN  39   9.183  16.299   5.235
  304   HD21  ASN  39          HD21      ASN  39   8.262  18.275   4.699
  305   HD22  ASN  39          HD22      ASN  39   6.613  18.519   4.373
  306    H    VAL  40           HN       VAL  40   7.212  13.127   6.406
  307    HA   VAL  40           HA       VAL  40   4.655  12.716   4.947
  308    HB   VAL  40           HB       VAL  40   5.828  10.610   5.087
  309   HG11  VAL  40          HG11      VAL  40   7.268  11.405   7.076
  310   HG12  VAL  40          HG12      VAL  40   6.764   9.718   7.077
  311   HG13  VAL  40          HG13      VAL  40   5.925  10.887   8.093
  312   HG21  VAL  40          HG21      VAL  40   4.140   9.315   6.134
  313   HG22  VAL  40          HG22      VAL  40   3.319  10.809   5.683
  314   HG23  VAL  40          HG23      VAL  40   3.828  10.552   7.351
  315    H    THR  41           HN       THR  41   3.023  13.689   5.857
  316    HA   THR  41           HA       THR  41   3.170  14.510   8.688
  317    HB   THR  41           HB       THR  41   1.240  15.267   6.487
  318    HG1  THR  41           HG1      THR  41   3.117  16.294   6.139
  319   HG21  THR  41          HG21      THR  41   1.451  16.120   9.382
  320   HG22  THR  41          HG22      THR  41   0.063  15.382   8.582
  321   HG23  THR  41          HG23      THR  41   0.546  17.026   8.171
  322    H    PHE  42           HN       PHE  42   2.324  13.194  10.153
  323    HA   PHE  42           HA       PHE  42  -0.232  11.841   9.550
  324    HB2  PHE  42           HB2      PHE  42   1.975  10.368   9.315
  325    HB3  PHE  42           HB1      PHE  42   1.883  10.322  11.074
  326    HD1  PHE  42           HD1      PHE  42  -0.398  10.041   8.143
  327    HD2  PHE  42           HD2      PHE  42   0.662   8.525  12.003
  328    HE1  PHE  42           HE1      PHE  42  -2.196   8.354   7.956
  329    HE2  PHE  42           HE2      PHE  42  -1.129   6.806  11.810
  330    HZ   PHE  42           HZ       PHE  42  -2.559   6.733   9.801
  331    H    CYS  43           HN       CYS  43  -1.623  11.817  11.242
  332    HA   CYS  43           HA       CYS  43  -2.541  12.542  13.221
  333    HB2  CYS  43           HB2      CYS  43  -1.386  10.475  13.932
  334    HB3  CYS  43           HB1      CYS  43   0.056  11.422  14.301
  335    HG   CYS  43           HG       CYS  43  -0.985  11.817  16.511
  336    H    GLY  44           HN       GLY  44  -0.955  14.495  11.761
  337    HA2  GLY  44           HA2      GLY  44  -0.411  16.724  12.103
  338    HA3  GLY  44           HA1      GLY  44  -0.790  16.503  13.807
  339    H    GLN  45           HN       GLN  45   1.546  14.562  12.027
  340    HA   GLN  45           HA       GLN  45   3.782  15.966  13.351
  341    HB2  GLN  45           HB2      GLN  45   3.272  12.986  13.437
  342    HB3  GLN  45           HB1      GLN  45   4.765  13.775  13.952
  343    HG2  GLN  45           HG2      GLN  45   3.544  15.068  15.629
  344    HG3  GLN  45           HG1      GLN  45   2.022  14.357  15.096
  345   HE21  GLN  45          HE21      GLN  45   3.513  14.134  17.763
  346   HE22  GLN  45          HE22      GLN  45   3.649  12.462  18.023
  347    H    THR  46           HN       THR  46   5.270  16.467  11.896
  348    HA   THR  46           HA       THR  46   5.363  14.955   9.358
  349    HB   THR  46           HB       THR  46   6.269  16.901   8.350
  350    HG1  THR  46           HG1      THR  46   6.504  17.921  10.986
  351   HG21  THR  46          HG21      THR  46   3.794  16.919   9.106
  352   HG22  THR  46          HG22      THR  46   4.518  18.457   8.638
  353   HG23  THR  46          HG23      THR  46   4.326  18.056  10.345
  354    H    PHE  47           HN       PHE  47   6.821  13.384   9.421
  355    HA   PHE  47           HA       PHE  47   9.326  13.757  10.902
  356    HB2  PHE  47           HB2      PHE  47   8.036  11.353   9.611
  357    HB3  PHE  47           HB1      PHE  47   9.668  11.328  10.285
  358    HD1  PHE  47           HD1      PHE  47   6.118  11.941  11.075
  359    HD2  PHE  47           HD2      PHE  47  10.037  11.276  12.661
  360    HE1  PHE  47           HE1      PHE  47   5.141  11.605  13.335
  361    HE2  PHE  47           HE2      PHE  47   9.077  10.958  14.925
  362    HZ   PHE  47           HZ       PHE  47   6.626  11.123  15.265
  363    H    GLN  48           HN       GLN  48  11.336  13.800   9.929
  364    HA   GLN  48           HA       GLN  48  11.551  13.435   7.029
  365    HB2  GLN  48           HB2      GLN  48  10.953  15.818   7.313
  366    HB3  GLN  48           HB1      GLN  48  12.335  16.027   8.389
  367    HG2  GLN  48           HG2      GLN  48  13.879  15.455   6.612
  368    HG3  GLN  48           HG1      GLN  48  12.550  15.039   5.533
  369   HE21  GLN  48          HE21      GLN  48  14.485  17.059   4.856
  370   HE22  GLN  48          HE22      GLN  48  13.686  18.556   4.819
  371    H    SER  49           HN       SER  49  13.601  12.893   6.357
  372    HA   SER  49           HA       SER  49  15.431  12.024   8.443
  373    HB2  SER  49           HB2      SER  49  16.469  10.736   6.795
  374    HB3  SER  49           HB1      SER  49  14.800  10.780   6.235
  375    HG   SER  49           HG       SER  49  15.350  12.127   4.661
  376    H    SER  50           HN       SER  50  17.771  12.478   8.247
  377    HA   SER  50           HA       SER  50  18.201  15.341   7.810
  378    HB2  SER  50           HB2      SER  50  20.018  13.223   8.976
  379    HB3  SER  50           HB1      SER  50  20.352  14.952   8.930
  380    HG   SER  50           HG       SER  50  18.393  15.228  10.142
  381    H    GLU  51           HN       GLU  51  18.489  12.524   6.035
  382    HA   GLU  51           HA       GLU  51  20.683  13.609   4.358
  383    HB2  GLU  51           HB2      GLU  51  20.992  11.315   3.550
  384    HB3  GLU  51           HB1      GLU  51  21.145  11.382   5.306
  385    HG2  GLU  51           HG2      GLU  51  18.762  10.680   5.507
  386    HG3  GLU  51           HG1      GLU  51  18.685  10.521   3.754
  387    H    PHE  52           HN       PHE  52  20.413  13.671   2.159
  388    HA   PHE  52           HA       PHE  52  17.611  13.745   1.234
  389    HB2  PHE  52           HB2      PHE  52  18.872  14.942  -0.797
  390    HB3  PHE  52           HB1      PHE  52  18.457  15.828   0.671
  391    HD1  PHE  52           HD2      PHE  52  20.134  15.662   2.581
  392    HD2  PHE  52           HD1      PHE  52  21.114  14.963  -1.500
  393    HE1  PHE  52           HE2      PHE  52  22.542  16.164   3.093
  394    HE2  PHE  52           HE1      PHE  52  23.509  15.451  -1.039
  395    HZ   PHE  52           HZ       PHE  52  24.231  16.056   1.263
  396    H    PHE  53           HN       PHE  53  16.908  12.447  -0.167
  397    HA   PHE  53           HA       PHE  53  18.592  10.272  -1.102
  398    HB2  PHE  53           HB2      PHE  53  15.715  10.460  -1.936
  399    HB3  PHE  53           HB1      PHE  53  16.678   9.044  -1.496
  400    HD1  PHE  53           HD1      PHE  53  15.077  12.093  -0.134
  401    HD2  PHE  53           HD2      PHE  53  16.754   8.267   0.730
  402    HE1  PHE  53           HE1      PHE  53  14.230  12.272   2.178
  403    HE2  PHE  53           HE2      PHE  53  15.936   8.457   3.033
  404    HZ   PHE  53           HZ       PHE  53  14.661  10.432   3.774
  405    HA   PRO  54           HA       PRO  54  19.127  11.952  -5.197
  406    HB2  PRO  54           HB2      PRO  54  19.840   9.732  -6.586
  407    HB3  PRO  54           HB1      PRO  54  20.893  10.448  -5.349
  408    HG2  PRO  54           HG2      PRO  54  19.097   8.071  -5.153
  409    HG3  PRO  54           HG1      PRO  54  20.729   8.307  -4.501
  410    HD2  PRO  54           HD2      PRO  54  18.418   8.575  -2.999
  411    HD3  PRO  54           HD1      PRO  54  19.960   9.372  -2.614
  412    H    THR  55           HN       THR  55  16.641   9.818  -4.401
  413    HA   THR  55           HA       THR  55  15.260  10.313  -6.979
  414    HB   THR  55           HB       THR  55  15.296   7.773  -5.336
  415    HG1  THR  55           HG1      THR  55  16.538   7.066  -6.847
  416   HG21  THR  55          HG21      THR  55  13.483   8.686  -7.563
  417   HG22  THR  55          HG22      THR  55  13.042   8.003  -5.999
  418   HG23  THR  55          HG23      THR  55  13.760   6.975  -7.237
  419    H    LEU  56           HN       LEU  56  13.073  10.665  -6.892
  420    HA   LEU  56           HA       LEU  56  12.119  12.038  -4.627
  421    HB2  LEU  56           HB2      LEU  56  11.382  12.054  -7.170
  422    HB3  LEU  56           HB1      LEU  56  10.177  10.903  -6.590
  423    HG   LEU  56           HG       LEU  56  10.690  13.673  -5.470
  424   HD11  LEU  56          HD11      LEU  56   9.542  13.819  -7.535
  425   HD12  LEU  56          HD12      LEU  56   8.334  14.015  -6.267
  426   HD13  LEU  56          HD13      LEU  56   8.480  12.477  -7.121
  427   HD21  LEU  56          HD21      LEU  56   8.524  13.093  -4.189
  428   HD22  LEU  56          HD22      LEU  56  10.006  12.324  -3.629
  429   HD23  LEU  56          HD23      LEU  56   8.861  11.416  -4.617
  430    H    LYS  57           HN       LYS  57  10.789   8.965  -5.991
  431    HA   LYS  57           HA       LYS  57   9.110   8.351  -3.914
  432    HB2  LYS  57           HB2      LYS  57  10.698   6.539  -5.743
  433    HB3  LYS  57           HB1      LYS  57   9.394   5.980  -4.699
  434    HG2  LYS  57           HG2      LYS  57   7.827   7.517  -5.828
  435    HG3  LYS  57           HG1      LYS  57   9.132   8.078  -6.873
  436    HD2  LYS  57           HD2      LYS  57   9.411   5.811  -7.781
  437    HD3  LYS  57           HD1      LYS  57   8.144   5.214  -6.706
  438    HE2  LYS  57           HE2      LYS  57   7.227   5.631  -8.946
  439    HE3  LYS  57           HE1      LYS  57   6.524   6.753  -7.780
  440    HZ1  LYS  57           HZ1      LYS  57   8.125   7.301 -10.071
  441    HZ2  LYS  57           HZ2      LYS  57   8.801   7.989  -8.672
  442    HZ3  LYS  57           HZ3      LYS  57   7.207   8.365  -9.122
  443    H    SER  58           HN       SER  58  12.582   7.797  -4.187
  444    HA   SER  58           HA       SER  58  12.940   5.993  -2.085
  445    HB2  SER  58           HB2      SER  58  14.803   6.479  -3.478
  446    HB3  SER  58           HB1      SER  58  14.685   8.206  -3.154
  447    HG   SER  58           HG       SER  58  16.276   6.744  -1.950
  448    H    ALA  59           HN       ALA  59  12.434   9.479  -2.058
  449    HA   ALA  59           HA       ALA  59  13.084   9.843   0.700
  450    HB1  ALA  59           HB1      ALA  59  11.290  11.587  -0.976
  451    HB2  ALA  59           HB2      ALA  59  13.043  11.631  -1.097
  452    HB3  ALA  59           HB3      ALA  59  12.258  12.061   0.423
  453    H    GLU  60           HN       GLU  60  10.055   9.362  -1.079
  454    HA   GLU  60           HA       GLU  60   8.287   9.704   1.115
  455    HB2  GLU  60           HB2      GLU  60   8.029   8.146  -1.463
  456    HB3  GLU  60           HB1      GLU  60   6.705   8.368  -0.318
  457    HG2  GLU  60           HG2      GLU  60   6.871  10.796  -0.547
  458    HG3  GLU  60           HG1      GLU  60   8.259  10.623  -1.620
  459    H    HIS  61           HN       HIS  61   9.912   6.831  -0.219
  460    HA   HIS  61           HA       HIS  61   8.635   4.952   1.487
  461    HB2  HIS  61           HB2      HIS  61  11.361   4.731   0.193
  462    HB3  HIS  61           HB1      HIS  61  10.343   3.403   0.753
  463    HD2  HIS  61           HD2      HIS  61  11.051   3.658  -2.501
  464    HE1  HIS  61           HE1      HIS  61   7.027   4.879  -2.852
  465    HE2  HIS  61           HE2      HIS  61   9.038   4.001  -4.127
  466    H    ALA  62           HN       ALA  62  11.798   6.582   1.676
  467    HA   ALA  62           HA       ALA  62  12.563   5.392   4.141
  468    HB1  ALA  62           HB1      ALA  62  13.526   8.073   3.159
  469    HB2  ALA  62           HB2      ALA  62  14.058   6.564   2.417
  470    HB3  ALA  62           HB3      ALA  62  14.397   6.876   4.119
  471    H    ALA  63           HN       ALA  63  10.882   8.383   3.301
  472    HA   ALA  63           HA       ALA  63  10.893   9.584   5.848
  473    HB1  ALA  63           HB1      ALA  63   8.959   9.767   3.534
  474    HB2  ALA  63           HB2      ALA  63  10.230  10.908   3.974
  475    HB3  ALA  63           HB3      ALA  63   8.800  10.744   4.993
  476    H    ALA  64           HN       ALA  64   8.476   7.453   4.308
  477    HA   ALA  64           HA       ALA  64   6.667   7.398   6.459
  478    HB1  ALA  64           HB1      ALA  64   7.242   5.456   4.229
  479    HB2  ALA  64           HB2      ALA  64   5.893   6.580   4.372
  480    HB3  ALA  64           HB3      ALA  64   5.976   5.166   5.423
  481    H    LYS  65           HN       LYS  65   9.554   5.462   5.773
  482    HA   LYS  65           HA       LYS  65   9.236   3.465   7.717
  483    HB2  LYS  65           HB2      LYS  65  11.004   3.500   5.959
  484    HB3  LYS  65           HB1      LYS  65  11.809   4.800   6.834
  485    HG2  LYS  65           HG2      LYS  65  12.072   3.358   8.797
  486    HG3  LYS  65           HG1      LYS  65  11.218   2.055   7.974
  487    HD2  LYS  65           HD2      LYS  65  12.979   2.025   6.227
  488    HD3  LYS  65           HD1      LYS  65  13.833   3.307   7.086
  489    HE2  LYS  65           HE2      LYS  65  14.065   1.859   9.057
  490    HE3  LYS  65           HE1      LYS  65  13.182   0.576   8.229
  491    HZ1  LYS  65           HZ1      LYS  65  15.869   1.640   7.656
  492    HZ2  LYS  65           HZ2      LYS  65  14.975   0.869   6.434
  493    HZ3  LYS  65           HZ3      LYS  65  15.379   0.029   7.854
  494    H    ILE  66           HN       ILE  66  10.834   6.684   7.970
  495    HA   ILE  66           HA       ILE  66  11.661   6.439  10.630
  496    HB   ILE  66           HB       ILE  66  10.841   8.878   9.022
  497   HG12  ILE  66          HG12      ILE  66  13.600   7.866   9.755
  498   HG13  ILE  66          HG11      ILE  66  12.798   7.453   8.240
  499   HG21  ILE  66          HG21      ILE  66  12.271  10.084  10.731
  500   HG22  ILE  66          HG22      ILE  66  12.186   8.622  11.716
  501   HG23  ILE  66          HG23      ILE  66  10.715   9.508  11.321
  502   HD11  ILE  66          HD11      ILE  66  14.358   9.454   8.116
  503   HD12  ILE  66          HD12      ILE  66  13.217  10.309   9.153
  504   HD13  ILE  66          HD13      ILE  66  12.713   9.754   7.557
  505    H    ALA  67           HN       ALA  67   8.645   7.751   9.266
  506    HA   ALA  67           HA       ALA  67   7.477   8.440  11.762
  507    HB1  ALA  67           HB1      ALA  67   5.325   8.404  10.426
  508    HB2  ALA  67           HB2      ALA  67   6.288   7.881   9.043
  509    HB3  ALA  67           HB3      ALA  67   6.596   9.449   9.791
  510    H    VAL  68           HN       VAL  68   7.230   5.564   9.701
  511    HA   VAL  68           HA       VAL  68   5.315   4.171  11.174
  512    HB   VAL  68           HB       VAL  68   7.550   3.308   9.337
  513   HG11  VAL  68          HG11      VAL  68   5.668   1.585  10.949
  514   HG12  VAL  68          HG12      VAL  68   7.411   1.418  10.740
  515   HG13  VAL  68          HG13      VAL  68   6.326   1.030   9.407
  516   HG21  VAL  68          HG21      VAL  68   5.770   2.854   7.798
  517   HG22  VAL  68          HG22      VAL  68   5.414   4.430   8.501
  518   HG23  VAL  68          HG23      VAL  68   4.551   3.000   9.062
  519    H    ALA  69           HN       ALA  69   8.858   4.289  11.486
  520    HA   ALA  69           HA       ALA  69   9.064   2.294  13.465
  521    HB1  ALA  69           HB1      ALA  69  10.818   4.631  12.713
  522    HB2  ALA  69           HB2      ALA  69  11.034   2.934  12.291
  523    HB3  ALA  69           HB3      ALA  69  11.265   3.463  13.957
  524    H    SER  70           HN       SER  70   8.174   5.658  13.583
  525    HA   SER  70           HA       SER  70   8.668   6.101  16.352
  526    HB2  SER  70           HB2      SER  70   8.335   7.934  14.712
  527    HB3  SER  70           HB1      SER  70   6.646   7.464  14.559
  528    HG   SER  70           HG       SER  70   6.236   8.302  16.454
  529    H    LEU  71           HN       LEU  71   5.843   5.022  14.531
  530    HA   LEU  71           HA       LEU  71   4.041   4.933  16.727
  531    HB2  LEU  71           HB2      LEU  71   3.936   3.249  14.218
  532    HB3  LEU  71           HB1      LEU  71   2.593   3.673  15.277
  533    HG   LEU  71           HG       LEU  71   4.253   5.649  13.685
  534   HD11  LEU  71          HD11      LEU  71   2.327   5.875  12.251
  535   HD12  LEU  71          HD12      LEU  71   1.364   4.825  13.290
  536   HD13  LEU  71          HD13      LEU  71   2.706   4.157  12.359
  537   HD21  LEU  71          HD21      LEU  71   1.983   5.930  15.658
  538   HD22  LEU  71          HD22      LEU  71   2.206   7.131  14.385
  539   HD23  LEU  71          HD23      LEU  71   3.485   6.849  15.561
  540    H    THR  72           HN       THR  72   6.440   2.724  15.502
  541    HA   THR  72           HA       THR  72   6.392   1.170  17.903
  542    HB   THR  72           HB       THR  72   4.484   0.069  17.041
  543    HG1  THR  72           HG1      THR  72   6.408  -1.597  15.909
  544   HG21  THR  72          HG21      THR  72   4.362   0.907  14.819
  545   HG22  THR  72          HG22      THR  72   4.553  -0.837  14.644
  546   HG23  THR  72          HG23      THR  72   5.936   0.231  14.396
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  10.953  -6.252  -3.663
    2    H2   MET   1           HT2      MET   1  11.206  -5.122  -4.906
    3    H3   MET   1           HT3      MET   1   9.687  -5.237  -4.154
    4    HA   MET   1           HA       MET   1  10.977  -4.679  -2.007
    5    HB2  MET   1           HB2      MET   1  12.805  -3.716  -4.224
    6    HB3  MET   1           HB1      MET   1  12.896  -3.139  -2.561
    7    HG2  MET   1           HG2      MET   1  13.281  -5.437  -1.771
    8    HG3  MET   1           HG1      MET   1  13.170  -6.031  -3.429
    9    HE1  MET   1           HE1      MET   1  15.208  -7.023  -2.092
   10    HE2  MET   1           HE2      MET   1  16.843  -6.481  -2.462
   11    HE3  MET   1           HE3      MET   1  15.795  -7.044  -3.761
   12    H    ASP   2           HN       ASP   2  11.297  -2.573  -4.865
   13    HA   ASP   2           HA       ASP   2  10.431  -0.456  -5.234
   14    HB2  ASP   2           HB2      ASP   2   8.010  -2.134  -4.564
   15    HB3  ASP   2           HB1      ASP   2   7.893  -0.486  -5.178
   16    H    HIS   3           HN       HIS   3   7.686  -0.597  -3.293
   17    HA   HIS   3           HA       HIS   3   8.944   0.592  -0.922
   18    HB2  HIS   3           HB2      HIS   3   6.799   2.036  -2.497
   19    HB3  HIS   3           HB1      HIS   3   7.594   2.601  -1.028
   20    HD2  HIS   3           HD2      HIS   3   8.105   2.790  -4.818
   21    HE1  HIS   3           HE1      HIS   3  11.791   3.889  -3.081
   22    HE2  HIS   3           HE2      HIS   3  10.466   3.822  -5.245
   23    H    VAL   4           HN       VAL   4   8.093  -0.703   0.630
   24    HA   VAL   4           HA       VAL   4   5.297  -1.571   0.424
   25    HB   VAL   4           HB       VAL   4   5.923  -3.076   2.266
   26   HG11  VAL   4          HG11      VAL   4   7.734  -3.100  -0.154
   27   HG12  VAL   4          HG12      VAL   4   6.159  -3.881  -0.009
   28   HG13  VAL   4          HG13      VAL   4   7.522  -4.468   0.940
   29   HG21  VAL   4          HG21      VAL   4   8.273  -3.255   2.954
   30   HG22  VAL   4          HG22      VAL   4   7.663  -1.637   3.301
   31   HG23  VAL   4          HG23      VAL   4   8.694  -1.911   1.894
   32    H    TYR   5           HN       TYR   5   7.255   0.756   2.009
   33    HA   TYR   5           HA       TYR   5   6.047   0.983   4.512
   34    HB2  TYR   5           HB2      TYR   5   6.942   3.362   2.892
   35    HB3  TYR   5           HB1      TYR   5   7.049   3.109   4.636
   36    HD1  TYR   5           HD1      TYR   5   8.407   2.039   1.348
   37    HD2  TYR   5           HD2      TYR   5   8.871   1.938   5.601
   38    HE1  TYR   5           HE1      TYR   5  10.679   1.084   1.074
   39    HE2  TYR   5           HE2      TYR   5  11.143   0.988   5.346
   40    HH   TYR   5           HH       TYR   5  12.234  -0.434   2.647
   41    H    LYS   6           HN       LYS   6   5.139   2.439   1.398
   42    HA   LYS   6           HA       LYS   6   3.062   4.079   2.329
   43    HB2  LYS   6           HB2      LYS   6   3.449   2.680  -0.328
   44    HB3  LYS   6           HB1      LYS   6   2.180   3.867  -0.027
   45    HG2  LYS   6           HG2      LYS   6   3.875   5.549   0.563
   46    HG3  LYS   6           HG1      LYS   6   5.154   4.365   0.300
   47    HD2  LYS   6           HD2      LYS   6   4.473   4.145  -2.061
   48    HD3  LYS   6           HD1      LYS   6   3.191   5.329  -1.803
   49    HE2  LYS   6           HE2      LYS   6   4.859   7.032  -1.207
   50    HE3  LYS   6           HE1      LYS   6   6.154   5.854  -1.422
   51    HZ1  LYS   6           HZ1      LYS   6   4.850   7.425  -3.371
   52    HZ2  LYS   6           HZ2      LYS   6   4.613   5.780  -3.725
   53    HZ3  LYS   6           HZ3      LYS   6   6.186   6.397  -3.553
   54    H    GLY   7           HN       GLY   7   3.088   0.677   1.344
   55    HA2  GLY   7           HA2      GLY   7   0.272   0.280   1.565
   56    HA3  GLY   7           HA1      GLY   7   1.496  -0.983   1.507
   57    H    GLN   8           HN       GLN   8   2.930   0.216   3.856
   58    HA   GLN   8           HA       GLN   8   1.484  -1.207   5.897
   59    HB2  GLN   8           HB2      GLN   8   4.059   0.367   5.902
   60    HB3  GLN   8           HB1      GLN   8   3.409  -0.421   7.341
   61    HG2  GLN   8           HG2      GLN   8   3.456  -2.590   6.213
   62    HG3  GLN   8           HG1      GLN   8   4.019  -1.831   4.728
   63   HE21  GLN   8          HE21      GLN   8   5.818  -3.608   5.337
   64   HE22  GLN   8          HE22      GLN   8   7.128  -3.004   6.231
   65    H    LEU   9           HN       LEU   9   2.495   2.165   5.445
   66    HA   LEU   9           HA       LEU   9   1.231   3.166   7.751
   67    HB2  LEU   9           HB2      LEU   9   2.969   4.427   6.535
   68    HB3  LEU   9           HB1      LEU   9   1.865   4.619   5.177
   69    HG   LEU   9           HG       LEU   9   0.294   5.866   6.627
   70   HD11  LEU   9          HD11      LEU   9   0.549   5.126   8.819
   71   HD12  LEU   9          HD12      LEU   9   1.433   6.646   8.891
   72   HD13  LEU   9          HD13      LEU   9   2.310   5.126   8.732
   73   HD21  LEU   9          HD21      LEU   9   1.848   7.855   7.072
   74   HD22  LEU   9          HD22      LEU   9   1.831   7.235   5.421
   75   HD23  LEU   9          HD23      LEU   9   3.163   6.823   6.501
   76    H    GLN  10           HN       GLN  10   0.131   2.824   4.452
   77    HA   GLN  10           HA       GLN  10  -2.288   4.169   4.841
   78    HB2  GLN  10           HB2      GLN  10  -1.312   3.523   2.616
   79    HB3  GLN  10           HB1      GLN  10  -1.797   1.860   2.947
   80    HG2  GLN  10           HG2      GLN  10  -3.522   2.854   1.596
   81    HG3  GLN  10           HG1      GLN  10  -4.163   2.695   3.229
   82   HE21  GLN  10          HE21      GLN  10  -2.283   5.128   1.325
   83   HE22  GLN  10          HE22      GLN  10  -3.138   6.464   1.927
   84    H    ALA  11           HN       ALA  11  -1.354   0.812   5.310
   85    HA   ALA  11           HA       ALA  11  -3.959  -0.161   5.920
   86    HB1  ALA  11           HB1      ALA  11  -1.287  -1.296   6.772
   87    HB2  ALA  11           HB2      ALA  11  -2.035  -1.585   5.200
   88    HB3  ALA  11           HB3      ALA  11  -2.821  -2.161   6.671
   89    H    TYR  12           HN       TYR  12  -1.277   1.089   7.862
   90    HA   TYR  12           HA       TYR  12  -2.294   0.440  10.407
   91    HB2  TYR  12           HB2      TYR  12   0.018   1.160  10.060
   92    HB3  TYR  12           HB1      TYR  12  -0.540   2.761   9.577
   93    HD1  TYR  12           HD1      TYR  12  -0.718   0.311  12.396
   94    HD2  TYR  12           HD2      TYR  12  -0.872   4.438  11.210
   95    HE1  TYR  12           HE1      TYR  12  -0.769   0.994  14.779
   96    HE2  TYR  12           HE2      TYR  12  -0.923   5.121  13.596
   97    HH   TYR  12           HH       TYR  12  -0.261   2.923  16.149
   98    H    ALA  13           HN       ALA  13  -2.510   3.520   8.599
   99    HA   ALA  13           HA       ALA  13  -4.090   4.908  10.430
  100    HB1  ALA  13           HB1      ALA  13  -2.946   5.567   8.082
  101    HB2  ALA  13           HB2      ALA  13  -4.250   6.525   8.786
  102    HB3  ALA  13           HB3      ALA  13  -4.598   5.355   7.514
  103    H    LEU  14           HN       LEU  14  -5.065   2.912   7.653
  104    HA   LEU  14           HA       LEU  14  -7.840   3.268   7.973
  105    HB2  LEU  14           HB2      LEU  14  -6.849   2.348   5.916
  106    HB3  LEU  14           HB1      LEU  14  -6.353   0.907   6.798
  107    HG   LEU  14           HG       LEU  14  -8.770   0.459   7.334
  108   HD11  LEU  14          HD11      LEU  14 -10.372   1.723   5.698
  109   HD12  LEU  14          HD12      LEU  14  -9.102   2.947   5.666
  110   HD13  LEU  14          HD13      LEU  14  -9.880   2.520   7.190
  111   HD21  LEU  14          HD21      LEU  14  -7.827  -0.751   5.514
  112   HD22  LEU  14          HD22      LEU  14  -7.888   0.655   4.449
  113   HD23  LEU  14          HD23      LEU  14  -9.382  -0.145   4.940
  114    H    GLN  15           HN       GLN  15  -5.635   0.776   9.209
  115    HA   GLN  15           HA       GLN  15  -7.630  -0.799  10.441
  116    HB2  GLN  15           HB2      GLN  15  -5.284  -1.540   9.957
  117    HB3  GLN  15           HB1      GLN  15  -4.736  -0.521  11.287
  118    HG2  GLN  15           HG2      GLN  15  -5.004  -2.780  12.122
  119    HG3  GLN  15           HG1      GLN  15  -6.283  -1.786  12.813
  120   HE21  GLN  15          HE21      GLN  15  -7.915  -3.406  13.017
  121   HE22  GLN  15          HE22      GLN  15  -8.563  -4.238  11.687
  122    H    HIS  16           HN       HIS  16  -5.637   1.880  11.614
  123    HA   HIS  16           HA       HIS  16  -6.821   1.762  14.275
  124    HB2  HIS  16           HB2      HIS  16  -4.389   2.360  13.806
  125    HB3  HIS  16           HB1      HIS  16  -4.985   3.896  13.180
  126    HD2  HIS  16           HD2      HIS  16  -4.198   2.268  16.583
  127    HE1  HIS  16           HE1      HIS  16  -6.338   5.811  17.413
  128    HE2  HIS  16           HE2      HIS  16  -4.956   3.943  18.436
  129    H    ASN  17           HN       ASN  17  -7.800   2.945  11.345
  130    HA   ASN  17           HA       ASN  17  -9.395   4.461  10.689
  131    HB2  ASN  17           HB2      ASN  17 -10.713   3.290  12.450
  132    HB3  ASN  17           HB1      ASN  17 -10.149   4.478  13.622
  133   HD21  ASN  17          HD21      ASN  17 -10.944   5.278  10.245
  134   HD22  ASN  17          HD22      ASN  17 -12.293   6.236  10.622
  135    H    LEU  18           HN       LEU  18  -7.268   5.745  10.507
  136    HA   LEU  18           HA       LEU  18  -7.565   8.277  12.025
  137    HB2  LEU  18           HB2      LEU  18  -4.984   6.916  11.227
  138    HB3  LEU  18           HB1      LEU  18  -5.107   8.507  11.975
  139    HG   LEU  18           HG       LEU  18  -6.146   5.935  13.208
  140   HD11  LEU  18          HD11      LEU  18  -4.216   6.209  14.772
  141   HD12  LEU  18          HD12      LEU  18  -3.620   7.522  13.755
  142   HD13  LEU  18          HD13      LEU  18  -3.719   5.883  13.113
  143   HD21  LEU  18          HD21      LEU  18  -7.406   7.615  14.235
  144   HD22  LEU  18          HD22      LEU  18  -6.138   8.826  14.060
  145   HD23  LEU  18          HD23      LEU  18  -6.002   7.577  15.293
  146    H    GLU  19           HN       GLU  19  -7.175  10.159  10.893
  147    HA   GLU  19           HA       GLU  19  -8.011  10.445   8.335
  148    HB2  GLU  19           HB2      GLU  19  -7.532  12.321   9.875
  149    HB3  GLU  19           HB1      GLU  19  -5.805  12.076   9.610
  150    HG2  GLU  19           HG2      GLU  19  -6.065  12.541   7.227
  151    HG3  GLU  19           HG1      GLU  19  -7.812  12.689   7.422
  152    H    LEU  20           HN       LEU  20  -7.273  10.098   6.348
  153    HA   LEU  20           HA       LEU  20  -5.277   8.338   5.767
  154    HB2  LEU  20           HB2      LEU  20  -5.976  10.603   3.911
  155    HB3  LEU  20           HB1      LEU  20  -5.490   8.963   3.489
  156    HG   LEU  20           HG       LEU  20  -8.086   9.811   4.803
  157   HD11  LEU  20          HD11      LEU  20  -7.754  10.026   2.276
  158   HD12  LEU  20          HD12      LEU  20  -9.127   9.053   2.802
  159   HD13  LEU  20          HD13      LEU  20  -7.652   8.266   2.243
  160   HD21  LEU  20          HD21      LEU  20  -8.578   7.285   4.545
  161   HD22  LEU  20          HD22      LEU  20  -7.529   7.766   5.878
  162   HD23  LEU  20          HD23      LEU  20  -6.830   7.089   4.407
  163    HA   PRO  21           HA       PRO  21  -1.493  10.608   6.393
  164    HB2  PRO  21           HB2      PRO  21   0.212   9.160   4.788
  165    HB3  PRO  21           HB1      PRO  21  -0.373   8.571   6.349
  166    HG2  PRO  21           HG2      PRO  21  -1.312   7.888   3.604
  167    HG3  PRO  21           HG1      PRO  21  -1.110   6.841   5.019
  168    HD2  PRO  21           HD2      PRO  21  -3.554   7.803   4.215
  169    HD3  PRO  21           HD1      PRO  21  -3.169   7.411   5.909
  170    H    VAL  22           HN       VAL  22  -0.090  12.082   5.368
  171    HA   VAL  22           HA       VAL  22  -0.643  12.673   2.517
  172    HB   VAL  22           HB       VAL  22  -0.589  14.635   4.826
  173   HG11  VAL  22          HG11      VAL  22   0.650  15.708   3.099
  174   HG12  VAL  22          HG12      VAL  22  -0.993  16.329   2.950
  175   HG13  VAL  22          HG13      VAL  22  -0.419  15.084   1.841
  176   HG21  VAL  22          HG21      VAL  22  -2.758  13.600   4.491
  177   HG22  VAL  22          HG22      VAL  22  -2.674  13.893   2.755
  178   HG23  VAL  22          HG23      VAL  22  -2.826  15.249   3.872
  179    H    TYR  23           HN       TYR  23   1.096  12.932   1.344
  180    HA   TYR  23           HA       TYR  23   3.742  13.146   2.620
  181    HB2  TYR  23           HB2      TYR  23   2.915  12.120  -0.070
  182    HB3  TYR  23           HB1      TYR  23   4.584  12.342   0.453
  183    HD1  TYR  23           HD1      TYR  23   1.383  10.762   1.635
  184    HD2  TYR  23           HD2      TYR  23   5.661  10.603   1.518
  185    HE1  TYR  23           HE1      TYR  23   1.326   8.585   2.804
  186    HE2  TYR  23           HE2      TYR  23   5.626   8.411   2.676
  187    HH   TYR  23           HH       TYR  23   2.531   6.926   3.686
  188    H    ALA  24           HN       ALA  24   5.304  14.529   1.751
  189    HA   ALA  24           HA       ALA  24   4.233  16.801   0.152
  190    HB1  ALA  24           HB1      ALA  24   6.510  17.097   2.110
  191    HB2  ALA  24           HB2      ALA  24   4.839  17.220   2.659
  192    HB3  ALA  24           HB3      ALA  24   5.451  18.341   1.444
  193    H    ASN  25           HN       ASN  25   5.487  17.489  -1.561
  194    HA   ASN  25           HA       ASN  25   7.961  15.924  -2.097
  195    HB2  ASN  25           HB2      ASN  25   5.899  17.049  -4.008
  196    HB3  ASN  25           HB1      ASN  25   7.408  16.282  -4.498
  197   HD21  ASN  25          HD21      ASN  25   4.272  15.540  -4.448
  198   HD22  ASN  25          HD22      ASN  25   4.327  13.907  -3.988
  199    H    GLU  26           HN       GLU  26   9.776  17.057  -2.261
  200    HA   GLU  26           HA       GLU  26   9.677  19.874  -3.184
  201    HB2  GLU  26           HB2      GLU  26  11.157  18.892  -0.738
  202    HB3  GLU  26           HB1      GLU  26  11.358  20.480  -1.455
  203    HG2  GLU  26           HG2      GLU  26   8.998  20.982  -1.088
  204    HG3  GLU  26           HG1      GLU  26   8.731  19.362  -0.446
  205    H    ARG  27           HN       ARG  27  11.173  20.308  -4.692
  206    HA   ARG  27           HA       ARG  27  13.492  18.476  -4.976
  207    HB2  ARG  27           HB2      ARG  27  11.699  17.986  -6.664
  208    HB3  ARG  27           HB1      ARG  27  11.867  19.639  -7.255
  209    HG2  ARG  27           HG2      ARG  27  14.300  19.182  -7.679
  210    HG3  ARG  27           HG1      ARG  27  14.023  17.506  -7.218
  211    HD2  ARG  27           HD2      ARG  27  13.901  17.643  -9.626
  212    HD3  ARG  27           HD1      ARG  27  12.268  17.384  -9.017
  213    HE   ARG  27           HE       ARG  27  11.697  19.532  -9.725
  214   HH11  ARG  27          HH21      ARG  27  15.117  19.010  -9.837
  215   HH12  ARG  27          HH22      ARG  27  15.450  20.465 -10.715
  216   HH21  ARG  27          HH11      ARG  27  12.128  21.444 -10.877
  217   HH22  ARG  27          HH12      ARG  27  13.758  21.843 -11.303
  218    H    GLU  28           HN       GLU  28  15.329  19.623  -4.758
  219    HA   GLU  28           HA       GLU  28  15.628  22.107  -6.216
  220    HB2  GLU  28           HB2      GLU  28  14.573  22.859  -4.087
  221    HB3  GLU  28           HB1      GLU  28  15.891  22.096  -3.196
  222    HG2  GLU  28           HG2      GLU  28  17.524  23.547  -4.301
  223    HG3  GLU  28           HG1      GLU  28  16.249  24.273  -5.277
  224    H    GLY  29           HN       GLY  29  17.696  22.256  -6.892
  225    HA2  GLY  29           HA2      GLY  29  20.023  21.928  -5.673
  226    HA3  GLY  29           HA1      GLY  29  19.589  20.249  -5.904
  227    HA   PRO  30           HA       PRO  30  21.428  22.678  -9.821
  228    HB2  PRO  30           HB2      PRO  30  23.758  20.964  -8.999
  229    HB3  PRO  30           HB1      PRO  30  23.759  22.522  -9.848
  230    HG2  PRO  30           HG2      PRO  30  24.294  22.341  -7.231
  231    HG3  PRO  30           HG1      PRO  30  23.427  23.727  -7.919
  232    HD2  PRO  30           HD2      PRO  30  22.373  21.541  -6.198
  233    HD3  PRO  30           HD1      PRO  30  21.725  23.171  -6.490
  234    HA   PRO  31           HA       PRO  31  20.449  19.208 -12.430
  235    HB2  PRO  31           HB2      PRO  31  23.063  19.591 -13.853
  236    HB3  PRO  31           HB1      PRO  31  21.419  19.518 -14.518
  237    HG2  PRO  31           HG2      PRO  31  22.668  21.834 -14.318
  238    HG3  PRO  31           HG1      PRO  31  20.944  21.709 -13.908
  239    HD2  PRO  31           HD2      PRO  31  23.311  21.875 -12.060
  240    HD3  PRO  31           HD1      PRO  31  21.714  22.646 -11.935
  241    H    HIS  32           HN       HIS  32  23.960  19.185 -11.756
  242    HA   HIS  32           HA       HIS  32  24.008  16.268 -11.672
  243    HB2  HIS  32           HB2      HIS  32  26.189  18.331 -11.273
  244    HB3  HIS  32           HB1      HIS  32  26.441  16.586 -11.266
  245    HD2  HIS  32           HD2      HIS  32  26.063  19.460 -13.819
  246    HE1  HIS  32           HE1      HIS  32  25.965  15.856 -16.015
  247    HE2  HIS  32           HE2      HIS  32  26.127  18.382 -16.197
  248    H    ALA  33           HN       ALA  33  22.994  18.513  -9.582
  249    HA   ALA  33           HA       ALA  33  23.671  16.820  -7.258
  250    HB1  ALA  33           HB1      ALA  33  23.710  19.811  -6.960
  251    HB2  ALA  33           HB2      ALA  33  25.152  18.953  -7.489
  252    HB3  ALA  33           HB3      ALA  33  24.430  18.580  -5.923
  253    HA   PRO  34           HA       PRO  34  19.220  18.226  -7.358
  254    HB2  PRO  34           HB2      PRO  34  18.005  15.892  -8.067
  255    HB3  PRO  34           HB1      PRO  34  18.619  17.049  -9.264
  256    HG2  PRO  34           HG2      PRO  34  19.784  14.463  -8.358
  257    HG3  PRO  34           HG1      PRO  34  19.829  15.228  -9.957
  258    HD2  PRO  34           HD2      PRO  34  21.932  15.274  -8.087
  259    HD3  PRO  34           HD1      PRO  34  21.765  16.362  -9.479
  260    H    ARG  35           HN       ARG  35  17.849  17.970  -5.587
  261    HA   ARG  35           HA       ARG  35  18.364  15.687  -3.774
  262    HB2  ARG  35           HB2      ARG  35  18.203  18.600  -2.997
  263    HB3  ARG  35           HB1      ARG  35  18.152  17.262  -1.852
  264    HG2  ARG  35           HG2      ARG  35  20.351  16.494  -2.629
  265    HG3  ARG  35           HG1      ARG  35  20.407  17.811  -3.802
  266    HD2  ARG  35           HD2      ARG  35  20.264  19.446  -1.943
  267    HD3  ARG  35           HD1      ARG  35  20.276  18.114  -0.790
  268    HE   ARG  35           HE       ARG  35  22.546  19.115  -2.311
  269   HH11  ARG  35          HH21      ARG  35  21.149  16.539  -0.471
  270   HH12  ARG  35          HH22      ARG  35  22.671  15.831  -0.047
  271   HH21  ARG  35          HH11      ARG  35  24.545  18.194  -1.761
  272   HH22  ARG  35          HH12      ARG  35  24.596  16.769  -0.777
  273    H    PHE  36           HN       PHE  36  16.531  14.705  -3.083
  274    HA   PHE  36           HA       PHE  36  13.967  16.146  -3.602
  275    HB2  PHE  36           HB2      PHE  36  14.518  13.177  -3.466
  276    HB3  PHE  36           HB1      PHE  36  12.970  13.944  -3.833
  277    HD1  PHE  36           HD2      PHE  36  12.692  15.278  -5.837
  278    HD2  PHE  36           HD1      PHE  36  16.267  13.059  -5.105
  279    HE1  PHE  36           HE2      PHE  36  13.266  15.435  -8.241
  280    HE2  PHE  36           HE1      PHE  36  16.884  13.255  -7.477
  281    HZ   PHE  36           HZ       PHE  36  15.383  14.426  -9.078
  282    H    ARG  37           HN       ARG  37  13.476  17.033  -1.642
  283    HA   ARG  37           HA       ARG  37  13.724  15.334   0.764
  284    HB2  ARG  37           HB2      ARG  37  13.044  18.285   0.462
  285    HB3  ARG  37           HB1      ARG  37  13.262  17.438   1.990
  286    HG2  ARG  37           HG2      ARG  37  15.583  16.937   1.413
  287    HG3  ARG  37           HG1      ARG  37  15.379  17.697  -0.164
  288    HD2  ARG  37           HD2      ARG  37  14.846  19.850   0.980
  289    HD3  ARG  37           HD1      ARG  37  15.161  19.077   2.531
  290    HE   ARG  37           HE       ARG  37  17.380  18.774   0.750
  291   HH11  ARG  37          HH21      ARG  37  15.730  20.997   2.826
  292   HH12  ARG  37          HH22      ARG  37  17.143  21.939   3.169
  293   HH21  ARG  37          HH11      ARG  37  19.234  20.007   1.192
  294   HH22  ARG  37          HH12      ARG  37  19.128  21.378   2.245
  295    H    CYS  38           HN       CYS  38  12.000  14.023   0.960
  296    HA   CYS  38           HA       CYS  38   9.293  15.160   0.532
  297    HB2  CYS  38           HB2      CYS  38   9.888  13.195  -0.857
  298    HB3  CYS  38           HB1      CYS  38  10.114  12.255   0.622
  299    HG   CYS  38           HG       CYS  38   7.369  13.383  -0.342
  300    H    ASN  39           HN       ASN  39   8.129  15.571   2.265
  301    HA   ASN  39           HA       ASN  39   8.832  14.253   4.831
  302    HB2  ASN  39           HB2      ASN  39   7.465  16.879   4.223
  303    HB3  ASN  39           HB1      ASN  39   7.488  16.155   5.831
  304   HD21  ASN  39          HD21      ASN  39   8.759  18.653   5.390
  305   HD22  ASN  39          HD22      ASN  39  10.438  18.440   5.518
  306    H    VAL  40           HN       VAL  40   7.175  13.415   6.143
  307    HA   VAL  40           HA       VAL  40   4.617  12.876   4.731
  308    HB   VAL  40           HB       VAL  40   5.921  10.838   4.874
  309   HG11  VAL  40          HG11      VAL  40   5.962  11.082   7.882
  310   HG12  VAL  40          HG12      VAL  40   7.267  11.753   6.907
  311   HG13  VAL  40          HG13      VAL  40   6.922  10.030   6.847
  312   HG21  VAL  40          HG21      VAL  40   4.325   9.451   5.993
  313   HG22  VAL  40          HG22      VAL  40   3.422  10.844   5.398
  314   HG23  VAL  40          HG23      VAL  40   3.871  10.747   7.100
  315    H    THR  41           HN       THR  41   2.959  13.815   5.658
  316    HA   THR  41           HA       THR  41   3.123  14.654   8.478
  317    HB   THR  41           HB       THR  41   1.045  15.241   6.364
  318    HG1  THR  41           HG1      THR  41   2.341  16.777   5.827
  319   HG21  THR  41          HG21      THR  41   1.437  16.245   9.192
  320   HG22  THR  41          HG22      THR  41   0.034  15.390   8.547
  321   HG23  THR  41          HG23      THR  41   0.385  17.034   8.015
  322    H    PHE  42           HN       PHE  42   2.275  13.437  10.044
  323    HA   PHE  42           HA       PHE  42  -0.166  11.878   9.497
  324    HB2  PHE  42           HB2      PHE  42   2.120  10.533   9.286
  325    HB3  PHE  42           HB1      PHE  42   2.063  10.547  11.045
  326    HD1  PHE  42           HD1      PHE  42  -0.211  10.007   8.157
  327    HD2  PHE  42           HD2      PHE  42   0.939   8.735  12.070
  328    HE1  PHE  42           HE1      PHE  42  -1.894   8.201   8.045
  329    HE2  PHE  42           HE2      PHE  42  -0.732   6.889  11.965
  330    HZ   PHE  42           HZ       PHE  42  -2.152   6.639   9.957
  331    H    CYS  43           HN       CYS  43  -1.587  12.018  11.173
  332    HA   CYS  43           HA       CYS  43  -2.475  12.827  13.142
  333    HB2  CYS  43           HB2      CYS  43  -1.478  10.693  13.859
  334    HB3  CYS  43           HB1      CYS  43   0.036  11.525  14.216
  335    HG   CYS  43           HG       CYS  43  -2.310  11.416  16.067
  336    H    GLY  44           HN       GLY  44  -1.220  14.851  11.827
  337    HA2  GLY  44           HA2      GLY  44  -0.417  16.990  12.154
  338    HA3  GLY  44           HA1      GLY  44  -0.777  16.742  13.860
  339    H    GLN  45           HN       GLN  45   1.469  14.764  12.013
  340    HA   GLN  45           HA       GLN  45   3.772  16.082  13.291
  341    HB2  GLN  45           HB2      GLN  45   3.042  14.171  14.718
  342    HB3  GLN  45           HB1      GLN  45   3.316  13.105  13.348
  343    HG2  GLN  45           HG2      GLN  45   5.296  13.082  14.785
  344    HG3  GLN  45           HG1      GLN  45   5.699  13.893  13.271
  345   HE21  GLN  45          HE21      GLN  45   7.266  15.395  14.035
  346   HE22  GLN  45          HE22      GLN  45   6.930  16.572  15.211
  347    H    THR  46           HN       THR  46   5.308  16.474  11.861
  348    HA   THR  46           HA       THR  46   5.276  15.001   9.302
  349    HB   THR  46           HB       THR  46   6.461  16.895   8.368
  350    HG1  THR  46           HG1      THR  46   6.458  17.744  11.062
  351   HG21  THR  46          HG21      THR  46   3.960  16.951   8.609
  352   HG22  THR  46          HG22      THR  46   4.708  18.548   8.550
  353   HG23  THR  46          HG23      THR  46   4.177  17.879  10.094
  354    H    PHE  47           HN       PHE  47   6.644  13.334   9.319
  355    HA   PHE  47           HA       PHE  47   9.156  13.483  10.815
  356    HB2  PHE  47           HB2      PHE  47   7.763  11.262   9.320
  357    HB3  PHE  47           HB1      PHE  47   9.386  11.093   9.979
  358    HD1  PHE  47           HD1      PHE  47   5.901  11.991  10.889
  359    HD2  PHE  47           HD2      PHE  47   9.711  10.603  12.282
  360    HE1  PHE  47           HE1      PHE  47   4.917  11.533  13.111
  361    HE2  PHE  47           HE2      PHE  47   8.730  10.144  14.516
  362    HZ   PHE  47           HZ       PHE  47   6.328  10.609  14.930
  363    H    GLN  48           HN       GLN  48  11.163  13.520   9.899
  364    HA   GLN  48           HA       GLN  48  11.456  13.372   6.989
  365    HB2  GLN  48           HB2      GLN  48  10.943  15.753   7.422
  366    HB3  GLN  48           HB1      GLN  48  12.283  15.827   8.565
  367    HG2  GLN  48           HG2      GLN  48  13.884  15.346   6.821
  368    HG3  GLN  48           HG1      GLN  48  12.599  15.026   5.662
  369   HE21  GLN  48          HE21      GLN  48  14.607  17.039   5.198
  370   HE22  GLN  48          HE22      GLN  48  13.841  18.553   5.213
  371    H    SER  49           HN       SER  49  13.576  12.950   6.327
  372    HA   SER  49           HA       SER  49  15.268  11.786   8.403
  373    HB2  SER  49           HB2      SER  49  14.870  10.484   6.384
  374    HB3  SER  49           HB1      SER  49  15.499  11.793   5.386
  375    HG   SER  49           HG       SER  49  17.229  10.532   5.683
  376    H    SER  50           HN       SER  50  17.615  12.184   8.372
  377    HA   SER  50           HA       SER  50  18.154  15.049   8.208
  378    HB2  SER  50           HB2      SER  50  20.195  14.529   9.404
  379    HB3  SER  50           HB1      SER  50  18.849  13.705  10.186
  380    HG   SER  50           HG       SER  50  19.874  11.922   9.804
  381    H    GLU  51           HN       GLU  51  18.399  12.431   6.146
  382    HA   GLU  51           HA       GLU  51  20.565  13.723   4.580
  383    HB2  GLU  51           HB2      GLU  51  21.157  11.491   3.735
  384    HB3  GLU  51           HB1      GLU  51  21.316  11.570   5.491
  385    HG2  GLU  51           HG2      GLU  51  19.067  10.554   5.721
  386    HG3  GLU  51           HG1      GLU  51  18.961  10.417   3.968
  387    H    PHE  52           HN       PHE  52  20.277  13.950   2.461
  388    HA   PHE  52           HA       PHE  52  17.519  13.728   1.477
  389    HB2  PHE  52           HB2      PHE  52  19.551  14.856  -0.372
  390    HB3  PHE  52           HB1      PHE  52  17.978  15.499   0.105
  391    HD1  PHE  52           HD1      PHE  52  21.371  14.865   1.277
  392    HD2  PHE  52           HD2      PHE  52  17.861  17.222   1.713
  393    HE1  PHE  52           HE1      PHE  52  22.612  16.382   2.831
  394    HE2  PHE  52           HE2      PHE  52  19.048  18.752   3.274
  395    HZ   PHE  52           HZ       PHE  52  21.434  18.335   3.832
  396    H    PHE  53           HN       PHE  53  16.909  12.582  -0.203
  397    HA   PHE  53           HA       PHE  53  18.661  10.385  -1.012
  398    HB2  PHE  53           HB2      PHE  53  15.842  10.471  -1.985
  399    HB3  PHE  53           HB1      PHE  53  16.793   9.108  -1.395
  400    HD1  PHE  53           HD1      PHE  53  15.060  12.209  -0.330
  401    HD2  PHE  53           HD2      PHE  53  16.688   8.443   0.863
  402    HE1  PHE  53           HE1      PHE  53  14.036  12.494   1.897
  403    HE2  PHE  53           HE2      PHE  53  15.694   8.743   3.089
  404    HZ   PHE  53           HZ       PHE  53  14.356  10.746   3.621
  405    HA   PRO  54           HA       PRO  54  19.321  12.122  -5.066
  406    HB2  PRO  54           HB2      PRO  54  20.108   9.914  -6.454
  407    HB3  PRO  54           HB1      PRO  54  21.118  10.660  -5.200
  408    HG2  PRO  54           HG2      PRO  54  19.387   8.235  -5.040
  409    HG3  PRO  54           HG1      PRO  54  20.993   8.523  -4.346
  410    HD2  PRO  54           HD2      PRO  54  18.642   8.718  -2.893
  411    HD3  PRO  54           HD1      PRO  54  20.145   9.576  -2.481
  412    H    THR  55           HN       THR  55  16.754  10.051  -4.378
  413    HA   THR  55           HA       THR  55  15.510  10.585  -7.010
  414    HB   THR  55           HB       THR  55  14.404   8.206  -6.529
  415    HG1  THR  55           HG1      THR  55  16.898   7.503  -5.641
  416   HG21  THR  55          HG21      THR  55  16.158   7.158  -7.910
  417   HG22  THR  55          HG22      THR  55  17.218   8.534  -7.609
  418   HG23  THR  55          HG23      THR  55  15.729   8.752  -8.530
  419    H    LEU  56           HN       LEU  56  13.243  10.645  -7.010
  420    HA   LEU  56           HA       LEU  56  12.157  11.975  -4.766
  421    HB2  LEU  56           HB2      LEU  56  11.458  11.712  -7.430
  422    HB3  LEU  56           HB1      LEU  56  10.147  10.872  -6.610
  423    HG   LEU  56           HG       LEU  56  11.110  13.663  -5.926
  424   HD11  LEU  56          HD11      LEU  56   8.678  12.712  -7.420
  425   HD12  LEU  56          HD12      LEU  56  10.062  13.562  -8.109
  426   HD13  LEU  56          HD13      LEU  56   9.010  14.380  -6.954
  427   HD21  LEU  56          HD21      LEU  56  10.130  12.723  -3.960
  428   HD22  LEU  56          HD22      LEU  56   8.885  11.892  -4.890
  429   HD23  LEU  56          HD23      LEU  56   8.831  13.644  -4.710
  430    H    LYS  57           HN       LYS  57  10.975   8.879  -6.202
  431    HA   LYS  57           HA       LYS  57   9.311   8.163  -4.143
  432    HB2  LYS  57           HB2      LYS  57  10.971   6.469  -6.018
  433    HB3  LYS  57           HB1      LYS  57   9.720   5.809  -4.970
  434    HG2  LYS  57           HG2      LYS  57   8.040   7.266  -6.042
  435    HG3  LYS  57           HG1      LYS  57   9.291   7.947  -7.082
  436    HD2  LYS  57           HD2      LYS  57   9.706   5.748  -8.080
  437    HD3  LYS  57           HD1      LYS  57   8.533   5.009  -6.991
  438    HE2  LYS  57           HE2      LYS  57   7.484   5.398  -9.162
  439    HE3  LYS  57           HE1      LYS  57   6.761   6.469  -7.962
  440    HZ1  LYS  57           HZ1      LYS  57   7.693   7.310 -10.301
  441    HZ2  LYS  57           HZ2      LYS  57   9.088   7.506  -9.352
  442    HZ3  LYS  57           HZ3      LYS  57   7.644   8.286  -8.916
  443    H    SER  58           HN       SER  58  12.797   7.743  -4.404
  444    HA   SER  58           HA       SER  58  13.201   5.914  -2.333
  445    HB2  SER  58           HB2      SER  58  15.069   6.475  -3.677
  446    HB3  SER  58           HB1      SER  58  14.862   8.201  -3.380
  447    HG   SER  58           HG       SER  58  16.277   6.416  -1.992
  448    H    ALA  59           HN       ALA  59  12.642   9.397  -2.272
  449    HA   ALA  59           HA       ALA  59  13.199   9.754   0.505
  450    HB1  ALA  59           HB1      ALA  59  12.405  11.958   0.198
  451    HB2  ALA  59           HB2      ALA  59  11.390  11.478  -1.165
  452    HB3  ALA  59           HB3      ALA  59  13.132  11.516  -1.346
  453    H    GLU  60           HN       GLU  60  10.224   9.196  -1.346
  454    HA   GLU  60           HA       GLU  60   8.364   9.555   0.753
  455    HB2  GLU  60           HB2      GLU  60   8.267   7.893  -1.772
  456    HB3  GLU  60           HB1      GLU  60   6.886   8.116  -0.698
  457    HG2  GLU  60           HG2      GLU  60   6.972  10.528  -1.011
  458    HG3  GLU  60           HG1      GLU  60   8.442  10.384  -1.971
  459    H    HIS  61           HN       HIS  61  10.078   6.646  -0.397
  460    HA   HIS  61           HA       HIS  61   8.782   4.814   1.324
  461    HB2  HIS  61           HB2      HIS  61  10.055   3.332   0.156
  462    HB3  HIS  61           HB1      HIS  61  10.778   4.705  -0.677
  463    HD2  HIS  61           HD2      HIS  61  13.516   4.857  -0.245
  464    HE1  HIS  61           HE1      HIS  61  13.662   2.776   3.426
  465    HE2  HIS  61           HE2      HIS  61  15.055   3.966   1.669
  466    H    ALA  62           HN       ALA  62  11.894   6.499   1.642
  467    HA   ALA  62           HA       ALA  62  12.504   5.504   4.215
  468    HB1  ALA  62           HB1      ALA  62  14.272   6.419   2.875
  469    HB2  ALA  62           HB2      ALA  62  14.101   7.449   4.294
  470    HB3  ALA  62           HB3      ALA  62  13.446   7.972   2.742
  471    H    ALA  63           HN       ALA  63  10.712   8.287   3.077
  472    HA   ALA  63           HA       ALA  63  10.512   9.738   5.466
  473    HB1  ALA  63           HB1      ALA  63   9.801  10.677   3.342
  474    HB2  ALA  63           HB2      ALA  63   8.431  10.667   4.455
  475    HB3  ALA  63           HB3      ALA  63   8.544   9.448   3.185
  476    H    ALA  64           HN       ALA  64   8.344   7.246   4.122
  477    HA   ALA  64           HA       ALA  64   6.601   7.242   6.382
  478    HB1  ALA  64           HB1      ALA  64   5.874   4.991   5.370
  479    HB2  ALA  64           HB2      ALA  64   6.996   5.370   4.063
  480    HB3  ALA  64           HB3      ALA  64   5.637   6.439   4.393
  481    H    LYS  65           HN       LYS  65   9.527   5.467   5.536
  482    HA   LYS  65           HA       LYS  65   9.395   3.336   7.311
  483    HB2  LYS  65           HB2      LYS  65  11.133   3.673   5.566
  484    HB3  LYS  65           HB1      LYS  65  11.854   4.930   6.572
  485    HG2  LYS  65           HG2      LYS  65  12.233   3.319   8.370
  486    HG3  LYS  65           HG1      LYS  65  11.441   2.053   7.431
  487    HD2  LYS  65           HD2      LYS  65  13.165   2.281   5.674
  488    HD3  LYS  65           HD1      LYS  65  13.966   3.530   6.630
  489    HE2  LYS  65           HE2      LYS  65  14.310   1.922   8.463
  490    HE3  LYS  65           HE1      LYS  65  13.497   0.669   7.522
  491    HZ1  LYS  65           HZ1      LYS  65  15.334   1.529   5.785
  492    HZ2  LYS  65           HZ2      LYS  65  15.565   0.215   6.837
  493    HZ3  LYS  65           HZ3      LYS  65  16.168   1.750   7.247
  494    H    ILE  66           HN       ILE  66  10.644   6.628   7.908
  495    HA   ILE  66           HA       ILE  66  11.299   6.072  10.626
  496    HB   ILE  66           HB       ILE  66  11.477   8.586  10.761
  497   HG12  ILE  66          HG12      ILE  66  10.916   8.402   7.792
  498   HG13  ILE  66          HG11      ILE  66   9.768   9.025   8.976
  499   HG21  ILE  66          HG21      ILE  66  13.475   8.662   9.349
  500   HG22  ILE  66          HG22      ILE  66  12.922   7.240   8.467
  501   HG23  ILE  66          HG23      ILE  66  13.375   7.101  10.166
  502   HD11  ILE  66          HD11      ILE  66  11.661  10.640   9.673
  503   HD12  ILE  66          HD12      ILE  66  10.852  10.954   8.139
  504   HD13  ILE  66          HD13      ILE  66  12.434  10.174   8.158
  505    H    ALA  67           HN       ALA  67   8.500   7.443   8.966
  506    HA   ALA  67           HA       ALA  67   7.140   8.348  11.290
  507    HB1  ALA  67           HB1      ALA  67   5.197   8.530   9.845
  508    HB2  ALA  67           HB2      ALA  67   5.967   7.504   8.637
  509    HB3  ALA  67           HB3      ALA  67   6.627   9.102   8.986
  510    H    VAL  68           HN       VAL  68   6.733   5.401   9.350
  511    HA   VAL  68           HA       VAL  68   4.700   4.263  10.948
  512    HB   VAL  68           HB       VAL  68   5.290   3.601   8.578
  513   HG11  VAL  68          HG11      VAL  68   7.414   1.884   9.874
  514   HG12  VAL  68          HG12      VAL  68   7.787   3.440   9.145
  515   HG13  VAL  68          HG13      VAL  68   7.124   2.145   8.155
  516   HG21  VAL  68          HG21      VAL  68   4.803   1.204   8.953
  517   HG22  VAL  68          HG22      VAL  68   3.798   2.233   9.973
  518   HG23  VAL  68          HG23      VAL  68   5.192   1.401  10.661
  519    H    ALA  69           HN       ALA  69   8.241   4.076  11.058
  520    HA   ALA  69           HA       ALA  69   8.414   1.966  12.931
  521    HB1  ALA  69           HB1      ALA  69  10.719   2.725  13.251
  522    HB2  ALA  69           HB2      ALA  69  10.352   4.235  12.417
  523    HB3  ALA  69           HB3      ALA  69  10.310   2.710  11.535
  524    H    SER  70           HN       SER  70   7.739   5.364  13.230
  525    HA   SER  70           HA       SER  70   8.310   5.481  16.060
  526    HB2  SER  70           HB2      SER  70   6.966   7.384  14.144
  527    HB3  SER  70           HB1      SER  70   7.084   7.706  15.872
  528    HG   SER  70           HG       SER  70   9.277   7.090  14.176
  529    H    LEU  71           HN       LEU  71   5.577   4.656  14.059
  530    HA   LEU  71           HA       LEU  71   3.840   4.465  16.465
  531    HB2  LEU  71           HB2      LEU  71   2.907   4.734  13.604
  532    HB3  LEU  71           HB1      LEU  71   1.957   4.923  15.078
  533    HG   LEU  71           HG       LEU  71   4.309   6.735  14.472
  534   HD11  LEU  71          HD11      LEU  71   2.701   8.343  13.559
  535   HD12  LEU  71          HD12      LEU  71   1.409   7.155  13.729
  536   HD13  LEU  71          HD13      LEU  71   2.727   6.866  12.591
  537   HD21  LEU  71          HD21      LEU  71   3.039   8.244  15.988
  538   HD22  LEU  71          HD22      LEU  71   3.473   6.729  16.777
  539   HD23  LEU  71          HD23      LEU  71   1.826   6.980  16.194
  540    H    THR  72           HN       THR  72   5.760   2.535  15.386
  541    HA   THR  72           HA       THR  72   5.908   0.290  14.873
  542    HB   THR  72           HB       THR  72   3.129   0.239  16.080
  543    HG1  THR  72           HG1      THR  72   5.158  -0.484  17.693
  544   HG21  THR  72          HG21      THR  72   3.661  -1.866  15.037
  545   HG22  THR  72          HG22      THR  72   3.891  -2.066  16.774
  546   HG23  THR  72          HG23      THR  72   5.287  -1.852  15.719
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  15.322  -0.437  -2.439
    2    H2   MET   1           HT2      MET   1  15.778  -1.912  -1.731
    3    H3   MET   1           HT3      MET   1  16.482  -0.459  -1.202
    4    HA   MET   1           HA       MET   1  14.630  -1.520   0.211
    5    HB2  MET   1           HB2      MET   1  14.690   1.391  -0.630
    6    HB3  MET   1           HB1      MET   1  13.786   0.794   0.760
    7    HG2  MET   1           HG2      MET   1  15.894  -0.129   1.704
    8    HG3  MET   1           HG1      MET   1  16.780   0.551   0.343
    9    HE1  MET   1           HE1      MET   1  15.423   3.550  -0.090
   10    HE2  MET   1           HE2      MET   1  16.993   2.775  -0.288
   11    HE3  MET   1           HE3      MET   1  16.847   4.210   0.721
   12    H    ASP   2           HN       ASP   2  12.826  -2.610  -0.271
   13    HA   ASP   2           HA       ASP   2  11.224  -2.095  -2.571
   14    HB2  ASP   2           HB2      ASP   2  10.767  -3.780  -0.105
   15    HB3  ASP   2           HB1      ASP   2   9.640  -3.717  -1.459
   16    H    HIS   3           HN       HIS   3   9.304  -1.027  -2.786
   17    HA   HIS   3           HA       HIS   3   8.710   1.011  -0.840
   18    HB2  HIS   3           HB2      HIS   3   7.010   1.731  -2.443
   19    HB3  HIS   3           HB1      HIS   3   8.535   1.416  -3.274
   20    HD2  HIS   3           HD2      HIS   3   4.873   0.238  -3.403
   21    HE1  HIS   3           HE1      HIS   3   7.091  -2.488  -5.744
   22    HE2  HIS   3           HE2      HIS   3   4.750  -1.727  -5.118
   23    H    VAL   4           HN       VAL   4   8.271  -0.739   0.866
   24    HA   VAL   4           HA       VAL   4   5.522  -1.790   0.700
   25    HB   VAL   4           HB       VAL   4   6.282  -3.149   2.660
   26   HG11  VAL   4          HG11      VAL   4   7.592  -4.696   1.295
   27   HG12  VAL   4          HG12      VAL   4   7.973  -3.401   0.161
   28   HG13  VAL   4          HG13      VAL   4   6.314  -3.981   0.311
   29   HG21  VAL   4          HG21      VAL   4   8.623  -3.220   3.227
   30   HG22  VAL   4          HG22      VAL   4   8.137  -1.526   3.278
   31   HG23  VAL   4          HG23      VAL   4   9.032  -2.149   1.889
   32    H    TYR   5           HN       TYR   5   7.415   0.677   2.126
   33    HA   TYR   5           HA       TYR   5   6.245   0.938   4.654
   34    HB2  TYR   5           HB2      TYR   5   7.071   3.287   2.956
   35    HB3  TYR   5           HB1      TYR   5   7.179   3.092   4.705
   36    HD1  TYR   5           HD1      TYR   5   8.617   2.021   1.461
   37    HD2  TYR   5           HD2      TYR   5   8.991   1.930   5.726
   38    HE1  TYR   5           HE1      TYR   5  10.921   1.129   1.241
   39    HE2  TYR   5           HE2      TYR   5  11.288   1.042   5.522
   40    HH   TYR   5           HH       TYR   5  13.032   0.800   4.024
   41    H    LYS   6           HN       LYS   6   5.266   2.239   1.508
   42    HA   LYS   6           HA       LYS   6   3.155   3.854   2.423
   43    HB2  LYS   6           HB2      LYS   6   3.595   2.449  -0.217
   44    HB3  LYS   6           HB1      LYS   6   2.263   3.567   0.074
   45    HG2  LYS   6           HG2      LYS   6   3.887   5.333   0.681
   46    HG3  LYS   6           HG1      LYS   6   5.213   4.216   0.354
   47    HD2  LYS   6           HD2      LYS   6   4.533   4.026  -1.980
   48    HD3  LYS   6           HD1      LYS   6   3.121   5.041  -1.679
   49    HE2  LYS   6           HE2      LYS   6   4.890   6.393  -2.685
   50    HE3  LYS   6           HE1      LYS   6   4.642   6.902  -1.014
   51    HZ1  LYS   6           HZ1      LYS   6   7.018   6.533  -1.783
   52    HZ2  LYS   6           HZ2      LYS   6   6.665   4.872  -1.735
   53    HZ3  LYS   6           HZ3      LYS   6   6.560   5.807  -0.321
   54    H    GLY   7           HN       GLY   7   3.275   0.453   1.479
   55    HA2  GLY   7           HA2      GLY   7   0.500  -0.066   1.657
   56    HA3  GLY   7           HA1      GLY   7   1.779  -1.270   1.767
   57    H    GLN   8           HN       GLN   8   3.074   0.062   4.051
   58    HA   GLN   8           HA       GLN   8   1.559  -1.194   6.143
   59    HB2  GLN   8           HB2      GLN   8   4.102   0.431   6.149
   60    HB3  GLN   8           HB1      GLN   8   3.406  -0.304   7.596
   61    HG2  GLN   8           HG2      GLN   8   3.543  -2.521   6.571
   62    HG3  GLN   8           HG1      GLN   8   4.170  -1.815   5.083
   63   HE21  GLN   8          HE21      GLN   8   5.951  -3.527   5.858
   64   HE22  GLN   8          HE22      GLN   8   7.211  -2.868   6.785
   65    H    LEU   9           HN       LEU   9   2.492   2.157   5.427
   66    HA   LEU   9           HA       LEU   9   1.155   3.338   7.620
   67    HB2  LEU   9           HB2      LEU   9   2.891   4.502   6.273
   68    HB3  LEU   9           HB1      LEU   9   1.755   4.581   4.933
   69    HG   LEU   9           HG       LEU   9   0.179   5.865   6.402
   70   HD11  LEU   9          HD11      LEU   9   1.477   6.927   8.450
   71   HD12  LEU   9          HD12      LEU   9   2.430   5.449   8.355
   72   HD13  LEU   9          HD13      LEU   9   0.689   5.361   8.624
   73   HD21  LEU   9          HD21      LEU   9   1.498   7.179   4.938
   74   HD22  LEU   9          HD22      LEU   9   2.968   6.898   5.872
   75   HD23  LEU   9          HD23      LEU   9   1.699   7.940   6.514
   76    H    GLN  10           HN       GLN  10   0.127   2.588   4.355
   77    HA   GLN  10           HA       GLN  10  -2.316   3.935   4.537
   78    HB2  GLN  10           HB2      GLN  10  -1.390   3.170   2.393
   79    HB3  GLN  10           HB1      GLN  10  -1.598   1.491   2.897
   80    HG2  GLN  10           HG2      GLN  10  -4.006   1.767   3.003
   81    HG3  GLN  10           HG1      GLN  10  -3.857   3.493   2.667
   82   HE21  GLN  10          HE21      GLN  10  -1.473   2.266   0.815
   83   HE22  GLN  10          HE22      GLN  10  -2.324   1.961  -0.622
   84    H    ALA  11           HN       ALA  11  -1.378   0.627   5.357
   85    HA   ALA  11           HA       ALA  11  -3.993  -0.268   6.037
   86    HB1  ALA  11           HB1      ALA  11  -1.335  -1.289   7.058
   87    HB2  ALA  11           HB2      ALA  11  -2.086  -1.785   5.542
   88    HB3  ALA  11           HB3      ALA  11  -2.872  -2.155   7.077
   89    H    TYR  12           HN       TYR  12  -1.353   1.188   7.924
   90    HA   TYR  12           HA       TYR  12  -2.495   0.837  10.479
   91    HB2  TYR  12           HB2      TYR  12  -0.150   1.499  10.130
   92    HB3  TYR  12           HB1      TYR  12  -0.687   3.062   9.512
   93    HD1  TYR  12           HD2      TYR  12  -1.800   4.696  11.004
   94    HD2  TYR  12           HD1      TYR  12  -0.251   0.976  12.485
   95    HE1  TYR  12           HE2      TYR  12  -1.958   5.556  13.326
   96    HE2  TYR  12           HE1      TYR  12  -0.410   1.834  14.805
   97    HH   TYR  12           HH       TYR  12  -0.665   3.725  16.050
   98    H    ALA  13           HN       ALA  13  -2.595   3.663   8.295
   99    HA   ALA  13           HA       ALA  13  -4.206   5.319   9.861
  100    HB1  ALA  13           HB1      ALA  13  -3.026   5.949   7.727
  101    HB2  ALA  13           HB2      ALA  13  -4.685   6.534   7.849
  102    HB3  ALA  13           HB3      ALA  13  -4.316   5.132   6.847
  103    H    LEU  14           HN       LEU  14  -5.108   2.775   7.569
  104    HA   LEU  14           HA       LEU  14  -7.899   3.231   7.604
  105    HB2  LEU  14           HB2      LEU  14  -6.768   1.798   5.930
  106    HB3  LEU  14           HB1      LEU  14  -6.412   0.625   7.191
  107    HG   LEU  14           HG       LEU  14  -8.912   0.450   7.612
  108   HD11  LEU  14          HD11      LEU  14  -9.855   2.396   6.689
  109   HD12  LEU  14          HD12      LEU  14 -10.249   1.172   5.487
  110   HD13  LEU  14          HD13      LEU  14  -8.904   2.276   5.210
  111   HD21  LEU  14          HD21      LEU  14  -7.710  -0.286   4.941
  112   HD22  LEU  14          HD22      LEU  14  -9.291  -0.862   5.469
  113   HD23  LEU  14          HD23      LEU  14  -7.846  -1.292   6.384
  114    H    GLN  15           HN       GLN  15  -5.836   1.057   9.532
  115    HA   GLN  15           HA       GLN  15  -8.065   0.114  11.103
  116    HB2  GLN  15           HB2      GLN  15  -6.095  -1.309  10.620
  117    HB3  GLN  15           HB1      GLN  15  -5.095  -0.225  11.588
  118    HG2  GLN  15           HG2      GLN  15  -6.394  -0.710  13.577
  119    HG3  GLN  15           HG1      GLN  15  -7.554  -1.651  12.639
  120   HE21  GLN  15          HE21      GLN  15  -6.076  -2.779  14.849
  121   HE22  GLN  15          HE22      GLN  15  -5.036  -3.966  14.225
  122    H    HIS  16           HN       HIS  16  -5.872   2.761  11.256
  123    HA   HIS  16           HA       HIS  16  -6.211   3.203  14.119
  124    HB2  HIS  16           HB2      HIS  16  -4.070   3.690  12.861
  125    HB3  HIS  16           HB1      HIS  16  -4.917   5.029  12.091
  126    HD2  HIS  16           HD2      HIS  16  -4.020   3.951  15.815
  127    HE1  HIS  16           HE1      HIS  16  -4.447   8.147  15.648
  128    HE2  HIS  16           HE2      HIS  16  -3.850   6.188  17.149
  129    H    ASN  17           HN       ASN  17  -7.869   3.945  11.252
  130    HA   ASN  17           HA       ASN  17  -9.566   5.403  10.723
  131    HB2  ASN  17           HB2      ASN  17 -10.017   4.918  13.667
  132    HB3  ASN  17           HB1      ASN  17 -11.164   5.788  12.650
  133   HD21  ASN  17          HD21      ASN  17 -11.795   3.251  13.896
  134   HD22  ASN  17          HD22      ASN  17 -12.004   2.108  12.660
  135    H    LEU  18           HN       LEU  18  -7.606   6.969  10.479
  136    HA   LEU  18           HA       LEU  18  -8.341   9.420  11.915
  137    HB2  LEU  18           HB2      LEU  18  -6.289   9.885  12.836
  138    HB3  LEU  18           HB1      LEU  18  -6.192   8.133  12.871
  139    HG   LEU  18           HG       LEU  18  -5.062   9.789  10.581
  140   HD11  LEU  18          HD11      LEU  18  -3.887  10.455  12.574
  141   HD12  LEU  18          HD12      LEU  18  -2.863   9.346  11.665
  142   HD13  LEU  18          HD13      LEU  18  -3.730   8.775  13.091
  143   HD21  LEU  18          HD21      LEU  18  -4.099   7.081  11.366
  144   HD22  LEU  18          HD22      LEU  18  -4.211   7.824   9.769
  145   HD23  LEU  18          HD23      LEU  18  -5.657   7.183  10.542
  146    H    GLU  19           HN       GLU  19  -7.258  11.366  10.902
  147    HA   GLU  19           HA       GLU  19  -8.049  11.708   8.299
  148    HB2  GLU  19           HB2      GLU  19  -5.767  13.005   9.795
  149    HB3  GLU  19           HB1      GLU  19  -6.346  13.572   8.229
  150    HG2  GLU  19           HG2      GLU  19  -8.577  13.955   9.161
  151    HG3  GLU  19           HG1      GLU  19  -8.061  13.305  10.717
  152    H    LEU  20           HN       LEU  20  -7.373  10.919   6.404
  153    HA   LEU  20           HA       LEU  20  -5.512   8.960   6.029
  154    HB2  LEU  20           HB2      LEU  20  -5.352   9.927   3.609
  155    HB3  LEU  20           HB1      LEU  20  -6.904   9.341   4.193
  156    HG   LEU  20           HG       LEU  20  -6.383  12.208   4.827
  157   HD11  LEU  20          HD11      LEU  20  -6.611  11.257   1.967
  158   HD12  LEU  20          HD12      LEU  20  -5.365  12.292   2.664
  159   HD13  LEU  20          HD13      LEU  20  -7.010  12.900   2.471
  160   HD21  LEU  20          HD21      LEU  20  -8.568  10.815   5.049
  161   HD22  LEU  20          HD22      LEU  20  -8.718  11.027   3.309
  162   HD23  LEU  20          HD23      LEU  20  -8.696  12.437   4.369
  163    HA   PRO  21           HA       PRO  21  -1.506  10.851   6.429
  164    HB2  PRO  21           HB2      PRO  21   0.007   9.316   4.729
  165    HB3  PRO  21           HB1      PRO  21  -0.577   8.719   6.285
  166    HG2  PRO  21           HG2      PRO  21  -1.717   8.291   3.555
  167    HG3  PRO  21           HG1      PRO  21  -1.488   7.122   4.871
  168    HD2  PRO  21           HD2      PRO  21  -3.911   8.240   4.365
  169    HD3  PRO  21           HD1      PRO  21  -3.393   7.833   6.016
  170    H    VAL  22           HN       VAL  22  -0.085  12.289   5.433
  171    HA   VAL  22           HA       VAL  22  -0.607  12.950   2.590
  172    HB   VAL  22           HB       VAL  22  -0.516  14.884   4.916
  173   HG11  VAL  22          HG11      VAL  22  -0.335  15.331   1.931
  174   HG12  VAL  22          HG12      VAL  22   0.741  15.939   3.188
  175   HG13  VAL  22          HG13      VAL  22  -0.890  16.591   3.034
  176   HG21  VAL  22          HG21      VAL  22  -2.683  13.695   4.355
  177   HG22  VAL  22          HG22      VAL  22  -2.619  14.477   2.775
  178   HG23  VAL  22          HG23      VAL  22  -2.755  15.453   4.237
  179    H    TYR  23           HN       TYR  23   1.127  13.210   1.435
  180    HA   TYR  23           HA       TYR  23   3.771  13.362   2.728
  181    HB2  TYR  23           HB2      TYR  23   2.915  12.361   0.038
  182    HB3  TYR  23           HB1      TYR  23   4.593  12.561   0.534
  183    HD1  TYR  23           HD1      TYR  23   1.397  10.994   1.665
  184    HD2  TYR  23           HD2      TYR  23   5.665  10.840   1.671
  185    HE1  TYR  23           HE1      TYR  23   1.314   8.836   2.863
  186    HE2  TYR  23           HE2      TYR  23   5.608   8.666   2.865
  187    HH   TYR  23           HH       TYR  23   2.917   6.778   3.062
  188    H    ALA  24           HN       ALA  24   5.347  14.735   1.913
  189    HA   ALA  24           HA       ALA  24   4.340  17.072   0.372
  190    HB1  ALA  24           HB1      ALA  24   5.102  17.351   2.852
  191    HB2  ALA  24           HB2      ALA  24   5.700  18.492   1.649
  192    HB3  ALA  24           HB3      ALA  24   6.730  17.173   2.200
  193    H    ASN  25           HN       ASN  25   5.668  17.857  -1.308
  194    HA   ASN  25           HA       ASN  25   8.001  16.153  -2.017
  195    HB2  ASN  25           HB2      ASN  25   5.944  17.386  -3.862
  196    HB3  ASN  25           HB1      ASN  25   7.377  16.503  -4.380
  197   HD21  ASN  25          HD21      ASN  25   7.135  14.520  -2.136
  198   HD22  ASN  25          HD22      ASN  25   5.832  13.520  -2.561
  199    H    GLU  26           HN       GLU  26   9.844  17.225  -2.182
  200    HA   GLU  26           HA       GLU  26   9.814  20.053  -3.075
  201    HB2  GLU  26           HB2      GLU  26  11.411  18.942  -0.754
  202    HB3  GLU  26           HB1      GLU  26  11.625  20.545  -1.447
  203    HG2  GLU  26           HG2      GLU  26   9.316  21.132  -0.902
  204    HG3  GLU  26           HG1      GLU  26   9.021  19.506  -0.292
  205    H    ARG  27           HN       ARG  27  11.184  20.412  -4.711
  206    HA   ARG  27           HA       ARG  27  13.459  18.564  -5.138
  207    HB2  ARG  27           HB2      ARG  27  11.559  17.937  -6.630
  208    HB3  ARG  27           HB1      ARG  27  11.577  19.570  -7.291
  209    HG2  ARG  27           HG2      ARG  27  13.932  19.235  -8.016
  210    HG3  ARG  27           HG1      ARG  27  13.871  17.586  -7.398
  211    HD2  ARG  27           HD2      ARG  27  11.914  17.176  -8.934
  212    HD3  ARG  27           HD1      ARG  27  12.196  18.768  -9.625
  213    HE   ARG  27           HE       ARG  27  13.742  16.392 -10.126
  214   HH11  ARG  27          HH21      ARG  27  13.775  19.848  -9.932
  215   HH12  ARG  27          HH22      ARG  27  15.123  20.032 -11.005
  216   HH21  ARG  27          HH11      ARG  27  15.513  16.627 -11.529
  217   HH22  ARG  27          HH12      ARG  27  16.105  18.210 -11.908
  218    H    GLU  28           HN       GLU  28  15.284  19.715  -5.186
  219    HA   GLU  28           HA       GLU  28  15.464  22.069  -6.830
  220    HB2  GLU  28           HB2      GLU  28  14.478  23.037  -4.779
  221    HB3  GLU  28           HB1      GLU  28  15.816  22.380  -3.837
  222    HG2  GLU  28           HG2      GLU  28  17.418  23.714  -5.123
  223    HG3  GLU  28           HG1      GLU  28  16.120  24.326  -6.145
  224    H    GLY  29           HN       GLY  29  17.555  22.293  -7.553
  225    HA2  GLY  29           HA2      GLY  29  19.919  22.145  -6.483
  226    HA3  GLY  29           HA1      GLY  29  19.545  20.432  -6.414
  227    HA   PRO  30           HA       PRO  30  21.513  21.839 -10.628
  228    HB2  PRO  30           HB2      PRO  30  23.580  19.899  -9.653
  229    HB3  PRO  30           HB1      PRO  30  23.801  21.430 -10.514
  230    HG2  PRO  30           HG2      PRO  30  24.326  21.222  -7.916
  231    HG3  PRO  30           HG1      PRO  30  23.619  22.695  -8.608
  232    HD2  PRO  30           HD2      PRO  30  22.301  20.567  -6.961
  233    HD3  PRO  30           HD1      PRO  30  21.988  22.313  -7.035
  234    HA   PRO  31           HA       PRO  31  19.822  18.184 -12.558
  235    HB2  PRO  31           HB2      PRO  31  21.560  17.798 -14.692
  236    HB3  PRO  31           HB1      PRO  31  20.279  19.026 -14.658
  237    HG2  PRO  31           HG2      PRO  31  23.189  19.319 -14.019
  238    HG3  PRO  31           HG1      PRO  31  22.145  20.367 -15.000
  239    HD2  PRO  31           HD2      PRO  31  22.743  21.047 -12.492
  240    HD3  PRO  31           HD1      PRO  31  21.101  21.309 -13.114
  241    H    HIS  32           HN       HIS  32  23.370  18.069 -12.234
  242    HA   HIS  32           HA       HIS  32  23.379  15.150 -12.088
  243    HB2  HIS  32           HB2      HIS  32  25.574  17.233 -11.967
  244    HB3  HIS  32           HB1      HIS  32  25.866  15.505 -11.772
  245    HD2  HIS  32           HD2      HIS  32  25.767  14.009 -14.160
  246    HE1  HIS  32           HE1      HIS  32  24.837  17.237 -16.718
  247    HE2  HIS  32           HE2      HIS  32  25.501  14.788 -16.638
  248    H    ALA  33           HN       ALA  33  22.686  17.574 -10.028
  249    HA   ALA  33           HA       ALA  33  23.308  15.917  -7.668
  250    HB1  ALA  33           HB1      ALA  33  24.343  17.633  -6.446
  251    HB2  ALA  33           HB2      ALA  33  23.790  18.887  -7.552
  252    HB3  ALA  33           HB3      ALA  33  25.065  17.777  -8.047
  253    HA   PRO  34           HA       PRO  34  19.080  17.876  -7.642
  254    HB2  PRO  34           HB2      PRO  34  17.558  15.666  -8.011
  255    HB3  PRO  34           HB1      PRO  34  18.282  16.541  -9.377
  256    HG2  PRO  34           HG2      PRO  34  19.197  14.026  -8.042
  257    HG3  PRO  34           HG1      PRO  34  19.147  14.428  -9.769
  258    HD2  PRO  34           HD2      PRO  34  21.443  14.590  -8.222
  259    HD3  PRO  34           HD1      PRO  34  21.178  15.545  -9.697
  260    H    ARG  35           HN       ARG  35  17.866  18.024  -5.774
  261    HA   ARG  35           HA       ARG  35  18.415  16.045  -3.620
  262    HB2  ARG  35           HB2      ARG  35  19.376  18.339  -3.223
  263    HB3  ARG  35           HB1      ARG  35  17.733  18.971  -3.286
  264    HG2  ARG  35           HG2      ARG  35  17.124  17.429  -1.427
  265    HG3  ARG  35           HG1      ARG  35  18.817  16.969  -1.320
  266    HD2  ARG  35           HD2      ARG  35  18.396  18.714   0.312
  267    HD3  ARG  35           HD1      ARG  35  19.410  19.367  -0.967
  268    HE   ARG  35           HE       ARG  35  16.692  19.835  -1.594
  269   HH11  ARG  35          HH21      ARG  35  19.185  20.747   0.613
  270   HH12  ARG  35          HH22      ARG  35  18.556  22.338   0.888
  271   HH21  ARG  35          HH11      ARG  35  15.849  21.917  -1.241
  272   HH22  ARG  35          HH12      ARG  35  16.662  23.001  -0.164
  273    H    PHE  36           HN       PHE  36  16.596  14.865  -3.074
  274    HA   PHE  36           HA       PHE  36  13.960  16.185  -3.598
  275    HB2  PHE  36           HB2      PHE  36  14.623  13.246  -3.412
  276    HB3  PHE  36           HB1      PHE  36  13.044  13.945  -3.777
  277    HD1  PHE  36           HD2      PHE  36  12.739  15.313  -5.791
  278    HD2  PHE  36           HD1      PHE  36  16.308  13.088  -5.079
  279    HE1  PHE  36           HE2      PHE  36  13.299  15.471  -8.199
  280    HE2  PHE  36           HE1      PHE  36  16.908  13.275  -7.448
  281    HZ   PHE  36           HZ       PHE  36  15.406  14.455  -9.040
  282    H    ARG  37           HN       ARG  37  13.500  17.090  -1.622
  283    HA   ARG  37           HA       ARG  37  13.711  15.343   0.755
  284    HB2  ARG  37           HB2      ARG  37  13.315  18.318   0.420
  285    HB3  ARG  37           HB1      ARG  37  13.099  17.506   1.967
  286    HG2  ARG  37           HG2      ARG  37  15.397  16.713   1.927
  287    HG3  ARG  37           HG1      ARG  37  15.626  17.361   0.305
  288    HD2  ARG  37           HD2      ARG  37  16.579  18.897   1.969
  289    HD3  ARG  37           HD1      ARG  37  15.208  19.641   1.155
  290    HE   ARG  37           HE       ARG  37  13.999  19.542   3.158
  291   HH11  ARG  37          HH21      ARG  37  17.003  17.832   3.373
  292   HH12  ARG  37          HH22      ARG  37  16.923  17.638   5.091
  293   HH21  ARG  37          HH11      ARG  37  13.898  19.299   5.409
  294   HH22  ARG  37          HH12      ARG  37  15.168  18.469   6.245
  295    H    CYS  38           HN       CYS  38  11.989  14.076   0.980
  296    HA   CYS  38           HA       CYS  38   9.287  15.227   0.548
  297    HB2  CYS  38           HB2      CYS  38   9.812  13.244  -0.814
  298    HB3  CYS  38           HB1      CYS  38  10.120  12.323   0.660
  299    HG   CYS  38           HG       CYS  38   7.676  12.068   0.996
  300    H    ASN  39           HN       ASN  39   8.146  15.707   2.282
  301    HA   ASN  39           HA       ASN  39   8.873  14.484   4.883
  302    HB2  ASN  39           HB2      ASN  39   8.829  17.032   4.563
  303    HB3  ASN  39           HB1      ASN  39   7.077  16.875   4.472
  304   HD21  ASN  39          HD21      ASN  39   8.667  18.194   6.627
  305   HD22  ASN  39          HD22      ASN  39   8.267  17.373   8.058
  306    H    VAL  40           HN       VAL  40   7.226  13.643   6.234
  307    HA   VAL  40           HA       VAL  40   4.670  13.016   4.845
  308    HB   VAL  40           HB       VAL  40   5.993  10.997   4.952
  309   HG11  VAL  40          HG11      VAL  40   7.399  11.953   6.938
  310   HG12  VAL  40          HG12      VAL  40   7.107  10.223   6.873
  311   HG13  VAL  40          HG13      VAL  40   6.153  11.235   7.958
  312   HG21  VAL  40          HG21      VAL  40   4.470   9.584   6.135
  313   HG22  VAL  40          HG22      VAL  40   3.517  10.965   5.590
  314   HG23  VAL  40          HG23      VAL  40   4.049  10.868   7.268
  315    H    THR  41           HN       THR  41   3.005  13.917   5.795
  316    HA   THR  41           HA       THR  41   3.169  14.695   8.643
  317    HB   THR  41           HB       THR  41   1.112  15.379   6.526
  318    HG1  THR  41           HG1      THR  41   2.142  17.488   6.879
  319   HG21  THR  41          HG21      THR  41   1.452  16.162   9.421
  320   HG22  THR  41          HG22      THR  41   0.027  15.483   8.634
  321   HG23  THR  41          HG23      THR  41   0.520  17.140   8.288
  322    H    PHE  42           HN       PHE  42   2.313  13.407  10.140
  323    HA   PHE  42           HA       PHE  42  -0.150  11.910   9.547
  324    HB2  PHE  42           HB2      PHE  42   2.094  10.534   9.211
  325    HB3  PHE  42           HB1      PHE  42   2.082  10.463  10.971
  326    HD1  PHE  42           HD1      PHE  42  -0.309  10.106   8.138
  327    HD2  PHE  42           HD2      PHE  42   0.983   8.602  11.928
  328    HE1  PHE  42           HE1      PHE  42  -2.017   8.333   7.989
  329    HE2  PHE  42           HE2      PHE  42  -0.719   6.791  11.777
  330    HZ   PHE  42           HZ       PHE  42  -2.213   6.656   9.810
  331    H    CYS  43           HN       CYS  43  -1.520  11.843  11.279
  332    HA   CYS  43           HA       CYS  43  -2.382  12.540  13.309
  333    HB2  CYS  43           HB2      CYS  43  -1.218  10.422  13.893
  334    HB3  CYS  43           HB1      CYS  43   0.228  11.353  14.283
  335    HG   CYS  43           HG       CYS  43  -0.783  12.020  16.449
  336    H    GLY  44           HN       GLY  44  -1.203  14.639  11.990
  337    HA2  GLY  44           HA2      GLY  44  -0.484  16.800  12.337
  338    HA3  GLY  44           HA1      GLY  44  -0.807  16.517  14.043
  339    H    GLN  45           HN       GLN  45   1.509  14.609  12.206
  340    HA   GLN  45           HA       GLN  45   3.756  16.043  13.495
  341    HB2  GLN  45           HB2      GLN  45   3.327  13.051  13.486
  342    HB3  GLN  45           HB1      GLN  45   4.792  13.877  14.030
  343    HG2  GLN  45           HG2      GLN  45   3.495  15.085  15.735
  344    HG3  GLN  45           HG1      GLN  45   2.026  14.273  15.197
  345   HE21  GLN  45          HE21      GLN  45   1.532  12.773  16.808
  346   HE22  GLN  45          HE22      GLN  45   2.641  11.674  17.473
  347    H    THR  46           HN       THR  46   5.399  16.440  12.134
  348    HA   THR  46           HA       THR  46   5.361  15.097   9.495
  349    HB   THR  46           HB       THR  46   6.506  17.052   8.637
  350    HG1  THR  46           HG1      THR  46   6.464  18.801  10.479
  351   HG21  THR  46          HG21      THR  46   3.981  17.050   8.980
  352   HG22  THR  46          HG22      THR  46   4.732  18.640   8.836
  353   HG23  THR  46          HG23      THR  46   4.268  18.023  10.422
  354    H    PHE  47           HN       PHE  47   6.719  13.422   9.526
  355    HA   PHE  47           HA       PHE  47   9.266  13.598  10.967
  356    HB2  PHE  47           HB2      PHE  47   7.789  11.350   9.607
  357    HB3  PHE  47           HB1      PHE  47   9.452  11.176  10.156
  358    HD1  PHE  47           HD1      PHE  47   6.032  12.104  11.284
  359    HD2  PHE  47           HD2      PHE  47   9.936  10.753  12.445
  360    HE1  PHE  47           HE1      PHE  47   5.200  11.672  13.581
  361    HE2  PHE  47           HE2      PHE  47   9.112  10.338  14.747
  362    HZ   PHE  47           HZ       PHE  47   6.740  10.796  15.315
  363    H    GLN  48           HN       GLN  48  11.250  13.580   9.992
  364    HA   GLN  48           HA       GLN  48  11.487  13.303   7.099
  365    HB2  GLN  48           HB2      GLN  48  12.555  15.493   6.807
  366    HB3  GLN  48           HB1      GLN  48  10.897  15.678   7.377
  367    HG2  GLN  48           HG2      GLN  48  11.772  15.878   9.715
  368    HG3  GLN  48           HG1      GLN  48  13.411  15.836   9.066
  369   HE21  GLN  48          HE21      GLN  48  13.809  18.060   9.820
  370   HE22  GLN  48          HE22      GLN  48  13.111  19.381   9.015
  371    H    SER  49           HN       SER  49  13.588  12.863   6.422
  372    HA   SER  49           HA       SER  49  15.383  11.913   8.511
  373    HB2  SER  49           HB2      SER  49  16.456  10.695   6.830
  374    HB3  SER  49           HB1      SER  49  14.791  10.745   6.255
  375    HG   SER  49           HG       SER  49  16.798  12.624   5.543
  376    H    SER  50           HN       SER  50  17.758  12.365   8.275
  377    HA   SER  50           HA       SER  50  18.172  15.255   7.979
  378    HB2  SER  50           HB2      SER  50  20.225  14.898   9.196
  379    HB3  SER  50           HB1      SER  50  18.935  14.035  10.029
  380    HG   SER  50           HG       SER  50  20.058  12.300   9.722
  381    H    GLU  51           HN       GLU  51  18.487  12.499   6.091
  382    HA   GLU  51           HA       GLU  51  20.602  13.766   4.430
  383    HB2  GLU  51           HB2      GLU  51  20.049  10.832   4.917
  384    HB3  GLU  51           HB1      GLU  51  21.126  11.439   3.657
  385    HG2  GLU  51           HG2      GLU  51  22.513  12.550   5.332
  386    HG3  GLU  51           HG1      GLU  51  21.415  12.042   6.614
  387    H    PHE  52           HN       PHE  52  20.047  14.265   2.438
  388    HA   PHE  52           HA       PHE  52  17.376  13.696   1.482
  389    HB2  PHE  52           HB2      PHE  52  19.115  14.815  -0.573
  390    HB3  PHE  52           HB1      PHE  52  17.706  15.544   0.202
  391    HD1  PHE  52           HD1      PHE  52  21.304  15.019   0.381
  392    HD2  PHE  52           HD2      PHE  52  17.938  16.991   2.077
  393    HE1  PHE  52           HE1      PHE  52  22.854  16.464   1.705
  394    HE2  PHE  52           HE2      PHE  52  19.451  18.463   3.419
  395    HZ   PHE  52           HZ       PHE  52  21.918  18.195   3.228
  396    H    PHE  53           HN       PHE  53  16.822  12.582  -0.294
  397    HA   PHE  53           HA       PHE  53  18.594  10.360  -1.019
  398    HB2  PHE  53           HB2      PHE  53  15.778  10.538  -2.019
  399    HB3  PHE  53           HB1      PHE  53  16.688   9.128  -1.464
  400    HD1  PHE  53           HD1      PHE  53  14.931  12.196  -0.358
  401    HD2  PHE  53           HD2      PHE  53  16.672   8.484   0.846
  402    HE1  PHE  53           HE1      PHE  53  13.931  12.483   1.884
  403    HE2  PHE  53           HE2      PHE  53  15.693   8.782   3.083
  404    HZ   PHE  53           HZ       PHE  53  14.312  10.756   3.618
  405    HA   PRO  54           HA       PRO  54  19.251  12.080  -5.092
  406    HB2  PRO  54           HB2      PRO  54  20.019   9.866  -6.480
  407    HB3  PRO  54           HB1      PRO  54  21.044  10.629  -5.250
  408    HG2  PRO  54           HG2      PRO  54  19.364   8.174  -5.059
  409    HG3  PRO  54           HG1      PRO  54  20.951   8.515  -4.345
  410    HD2  PRO  54           HD2      PRO  54  18.537   8.674  -2.957
  411    HD3  PRO  54           HD1      PRO  54  20.038   9.505  -2.485
  412    H    THR  55           HN       THR  55  16.671  10.022  -4.397
  413    HA   THR  55           HA       THR  55  15.428  10.549  -7.040
  414    HB   THR  55           HB       THR  55  14.296   8.182  -6.558
  415    HG1  THR  55           HG1      THR  55  16.790   7.479  -5.645
  416   HG21  THR  55          HG21      THR  55  17.091   8.562  -7.670
  417   HG22  THR  55          HG22      THR  55  15.574   8.638  -8.568
  418   HG23  THR  55          HG23      THR  55  16.118   7.106  -7.887
  419    H    LEU  56           HN       LEU  56  13.168  10.730  -7.040
  420    HA   LEU  56           HA       LEU  56  12.107  12.047  -4.782
  421    HB2  LEU  56           HB2      LEU  56  11.458  11.874  -7.441
  422    HB3  LEU  56           HB1      LEU  56  10.115  11.019  -6.693
  423    HG   LEU  56           HG       LEU  56  11.077  13.790  -5.925
  424   HD11  LEU  56          HD11      LEU  56  10.039  13.791  -8.097
  425   HD12  LEU  56          HD12      LEU  56   8.910  14.477  -6.929
  426   HD13  LEU  56          HD13      LEU  56   8.697  12.820  -7.497
  427   HD21  LEU  56          HD21      LEU  56   8.854  11.997  -4.929
  428   HD22  LEU  56          HD22      LEU  56   8.790  13.747  -4.721
  429   HD23  LEU  56          HD23      LEU  56  10.089  12.818  -3.981
  430    H    LYS  57           HN       LYS  57  10.874   8.943  -6.226
  431    HA   LYS  57           HA       LYS  57   9.163   8.301  -4.181
  432    HB2  LYS  57           HB2      LYS  57  10.773   6.508  -6.015
  433    HB3  LYS  57           HB1      LYS  57   9.447   5.946  -5.000
  434    HG2  LYS  57           HG2      LYS  57   7.906   7.497  -6.121
  435    HG3  LYS  57           HG1      LYS  57   9.228   8.092  -7.128
  436    HD2  LYS  57           HD2      LYS  57   9.534   5.868  -8.099
  437    HD3  LYS  57           HD1      LYS  57   8.283   5.211  -7.045
  438    HE2  LYS  57           HE2      LYS  57   7.350   5.644  -9.266
  439    HE3  LYS  57           HE1      LYS  57   6.628   6.747  -8.094
  440    HZ1  LYS  57           HZ1      LYS  57   7.493   7.680 -10.310
  441    HZ2  LYS  57           HZ2      LYS  57   9.033   7.532  -9.607
  442    HZ3  LYS  57           HZ3      LYS  57   7.857   8.520  -8.882
  443    H    SER  58           HN       SER  58  12.623   7.708  -4.440
  444    HA   SER  58           HA       SER  58  12.958   5.883  -2.360
  445    HB2  SER  58           HB2      SER  58  14.739   8.109  -3.364
  446    HB3  SER  58           HB1      SER  58  15.249   6.972  -2.119
  447    HG   SER  58           HG       SER  58  15.099   5.327  -3.557
  448    H    ALA  59           HN       ALA  59  12.529   9.365  -2.320
  449    HA   ALA  59           HA       ALA  59  13.107   9.763   0.443
  450    HB1  ALA  59           HB1      ALA  59  11.284  11.508  -1.195
  451    HB2  ALA  59           HB2      ALA  59  13.021  11.494  -1.469
  452    HB3  ALA  59           HB3      ALA  59  12.378  11.977   0.104
  453    H    GLU  60           HN       GLU  60  10.077   9.274  -1.364
  454    HA   GLU  60           HA       GLU  60   8.288   9.650   0.793
  455    HB2  GLU  60           HB2      GLU  60   8.076   7.982  -1.722
  456    HB3  GLU  60           HB1      GLU  60   6.735   8.247  -0.605
  457    HG2  GLU  60           HG2      GLU  60   6.877  10.656  -0.949
  458    HG3  GLU  60           HG1      GLU  60   8.294  10.455  -1.979
  459    H    HIS  61           HN       HIS  61   9.949   6.758  -0.418
  460    HA   HIS  61           HA       HIS  61   8.701   4.874   1.269
  461    HB2  HIS  61           HB2      HIS  61  11.467   4.862   0.037
  462    HB3  HIS  61           HB1      HIS  61  10.678   3.461   0.762
  463    HD2  HIS  61           HD2      HIS  61   7.673   3.891  -0.599
  464    HE1  HIS  61           HE1      HIS  61   9.757   3.747  -4.269
  465    HE2  HIS  61           HE2      HIS  61   7.467   3.576  -3.184
  466    H    ALA  62           HN       ALA  62  11.771   6.644   1.623
  467    HA   ALA  62           HA       ALA  62  12.430   5.567   4.163
  468    HB1  ALA  62           HB1      ALA  62  14.111   7.309   4.268
  469    HB2  ALA  62           HB2      ALA  62  13.300   8.219   2.994
  470    HB3  ALA  62           HB3      ALA  62  14.055   6.669   2.624
  471    H    ALA  63           HN       ALA  63  10.573   8.375   3.143
  472    HA   ALA  63           HA       ALA  63  10.405   9.730   5.590
  473    HB1  ALA  63           HB1      ALA  63   9.603  10.526   3.309
  474    HB2  ALA  63           HB2      ALA  63   8.524  10.873   4.661
  475    HB3  ALA  63           HB3      ALA  63   8.166   9.536   3.568
  476    H    ALA  64           HN       ALA  64   8.250   7.248   4.216
  477    HA   ALA  64           HA       ALA  64   6.521   7.160   6.469
  478    HB1  ALA  64           HB1      ALA  64   5.891   4.875   5.442
  479    HB2  ALA  64           HB2      ALA  64   6.985   5.326   4.131
  480    HB3  ALA  64           HB3      ALA  64   5.581   6.327   4.493
  481    H    LYS  65           HN       LYS  65   9.499   5.458   5.654
  482    HA   LYS  65           HA       LYS  65   9.422   3.344   7.462
  483    HB2  LYS  65           HB2      LYS  65  11.176   3.707   5.735
  484    HB3  LYS  65           HB1      LYS  65  11.841   5.007   6.723
  485    HG2  LYS  65           HG2      LYS  65  12.242   3.424   8.562
  486    HG3  LYS  65           HG1      LYS  65  11.541   2.120   7.602
  487    HD2  LYS  65           HD2      LYS  65  13.289   2.434   5.890
  488    HD3  LYS  65           HD1      LYS  65  13.996   3.734   6.850
  489    HE2  LYS  65           HE2      LYS  65  15.216   1.659   7.270
  490    HE3  LYS  65           HE1      LYS  65  14.330   2.124   8.722
  491    HZ1  LYS  65           HZ1      LYS  65  12.586   0.587   8.137
  492    HZ2  LYS  65           HZ2      LYS  65  14.073  -0.234   8.200
  493    HZ3  LYS  65           HZ3      LYS  65  13.383   0.168   6.699
  494    H    ILE  66           HN       ILE  66  10.598   6.676   8.025
  495    HA   ILE  66           HA       ILE  66  11.188   6.158  10.779
  496    HB   ILE  66           HB       ILE  66  11.434   8.658  10.872
  497   HG12  ILE  66          HG12      ILE  66  10.890   8.455   7.898
  498   HG13  ILE  66          HG11      ILE  66   9.754   9.127   9.068
  499   HG21  ILE  66          HG21      ILE  66  13.466   8.669   9.550
  500   HG22  ILE  66          HG22      ILE  66  12.881   7.324   8.571
  501   HG23  ILE  66          HG23      ILE  66  13.284   7.070  10.270
  502   HD11  ILE  66          HD11      ILE  66  11.702  10.695   9.756
  503   HD12  ILE  66          HD12      ILE  66  10.898  11.020   8.220
  504   HD13  ILE  66          HD13      ILE  66  12.456  10.194   8.242
  505    H    ALA  67           HN       ALA  67   8.446   7.396   8.982
  506    HA   ALA  67           HA       ALA  67   6.990   8.463  11.178
  507    HB1  ALA  67           HB1      ALA  67   6.616   8.835   8.663
  508    HB2  ALA  67           HB2      ALA  67   5.186   8.680   9.680
  509    HB3  ALA  67           HB3      ALA  67   5.722   7.318   8.697
  510    H    VAL  68           HN       VAL  68   6.720   5.325   9.503
  511    HA   VAL  68           HA       VAL  68   4.669   4.311  11.170
  512    HB   VAL  68           HB       VAL  68   5.247   3.414   8.911
  513   HG11  VAL  68          HG11      VAL  68   7.742   3.464   9.384
  514   HG12  VAL  68          HG12      VAL  68   7.149   1.997   8.613
  515   HG13  VAL  68          HG13      VAL  68   7.508   2.003  10.340
  516   HG21  VAL  68          HG21      VAL  68   4.880   1.053   9.522
  517   HG22  VAL  68          HG22      VAL  68   3.873   2.118  10.504
  518   HG23  VAL  68          HG23      VAL  68   5.335   1.410  11.188
  519    H    ALA  69           HN       ALA  69   8.156   4.411  11.459
  520    HA   ALA  69           HA       ALA  69   8.396   2.448  13.505
  521    HB1  ALA  69           HB1      ALA  69  10.269   4.768  13.041
  522    HB2  ALA  69           HB2      ALA  69  10.242   3.350  11.992
  523    HB3  ALA  69           HB3      ALA  69  10.645   3.176  13.701
  524    H    SER  70           HN       SER  70   7.752   5.905  13.476
  525    HA   SER  70           HA       SER  70   8.223   6.369  16.250
  526    HB2  SER  70           HB2      SER  70   6.929   8.447  15.899
  527    HB3  SER  70           HB1      SER  70   8.151   8.213  14.653
  528    HG   SER  70           HG       SER  70   5.380   7.619  14.484
  529    H    LEU  71           HN       LEU  71   5.376   5.474  14.379
  530    HA   LEU  71           HA       LEU  71   3.500   5.649  16.512
  531    HB2  LEU  71           HB2      LEU  71   3.336   3.871  14.071
  532    HB3  LEU  71           HB1      LEU  71   1.995   4.433  15.070
  533    HG   LEU  71           HG       LEU  71   3.838   6.207  13.451
  534   HD11  LEU  71          HD11      LEU  71   2.012   6.490  11.933
  535   HD12  LEU  71          HD12      LEU  71   0.902   5.649  13.014
  536   HD13  LEU  71          HD13      LEU  71   2.174   4.753  12.187
  537   HD21  LEU  71          HD21      LEU  71   1.898   7.868  14.038
  538   HD22  LEU  71          HD22      LEU  71   3.134   7.545  15.248
  539   HD23  LEU  71          HD23      LEU  71   1.566   6.746  15.358
  540    H    THR  72           HN       THR  72   5.707   3.160  15.440
  541    HA   THR  72           HA       THR  72   6.149   1.034  16.221
  542    HB   THR  72           HB       THR  72   5.426   2.376  18.838
  543    HG1  THR  72           HG1      THR  72   8.046   2.041  18.243
  544   HG21  THR  72          HG21      THR  72   5.553   0.023  19.205
  545   HG22  THR  72          HG22      THR  72   7.120   0.668  19.694
  546   HG23  THR  72          HG23      THR  72   6.947  -0.139  18.136
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  12.331  -1.828  -4.661
    2    H2   MET   1           HT2      MET   1  12.759  -0.684  -5.843
    3    H3   MET   1           HT3      MET   1  11.235  -0.608  -5.094
    4    HA   MET   1           HA       MET   1  13.801  -0.278  -3.645
    5    HB2  MET   1           HB2      MET   1  11.858   1.791  -4.718
    6    HB3  MET   1           HB1      MET   1  13.187   2.143  -3.614
    7    HG2  MET   1           HG2      MET   1  13.515   0.884  -6.352
    8    HG3  MET   1           HG1      MET   1  13.770   2.592  -6.005
    9    HE1  MET   1           HE1      MET   1  15.121   3.481  -4.330
   10    HE2  MET   1           HE2      MET   1  16.778   2.971  -4.017
   11    HE3  MET   1           HE3      MET   1  15.479   2.407  -2.971
   12    H    ASP   2           HN       ASP   2  13.015  -1.550  -1.933
   13    HA   ASP   2           HA       ASP   2  11.680  -2.124  -0.126
   14    HB2  ASP   2           HB2      ASP   2  11.900   0.882   0.013
   15    HB3  ASP   2           HB1      ASP   2  11.166  -0.072   1.299
   16    H    HIS   3           HN       HIS   3   9.994   0.909  -0.337
   17    HA   HIS   3           HA       HIS   3   7.752   1.386  -0.548
   18    HB2  HIS   3           HB2      HIS   3   8.268   1.034  -2.910
   19    HB3  HIS   3           HB1      HIS   3   8.022  -0.702  -2.725
   20    HD2  HIS   3           HD2      HIS   3   5.566   2.179  -1.467
   21    HE1  HIS   3           HE1      HIS   3   3.449  -0.471  -3.984
   22    HE2  HIS   3           HE2      HIS   3   3.238   1.562  -2.482
   23    H    VAL   4           HN       VAL   4   8.137  -0.249   1.601
   24    HA   VAL   4           HA       VAL   4   5.953  -2.240   1.430
   25    HB   VAL   4           HB       VAL   4   7.257  -3.147   3.527
   26   HG11  VAL   4          HG11      VAL   4   8.660  -4.541   2.014
   27   HG12  VAL   4          HG12      VAL   4   8.289  -3.431   0.695
   28   HG13  VAL   4          HG13      VAL   4   7.002  -4.387   1.428
   29   HG21  VAL   4          HG21      VAL   4   9.519  -1.823   2.023
   30   HG22  VAL   4          HG22      VAL   4   9.612  -2.709   3.545
   31   HG23  VAL   4          HG23      VAL   4   8.824  -1.138   3.488
   32    H    TYR   5           HN       TYR   5   7.553   0.116   3.513
   33    HA   TYR   5           HA       TYR   5   5.716   0.045   5.632
   34    HB2  TYR   5           HB2      TYR   5   6.692   2.642   5.697
   35    HB3  TYR   5           HB1      TYR   5   7.478   1.241   6.413
   36    HD1  TYR   5           HD1      TYR   5   7.095   2.223   2.789
   37    HD2  TYR   5           HD2      TYR   5   9.764   1.492   6.052
   38    HE1  TYR   5           HE1      TYR   5   9.024   2.417   1.261
   39    HE2  TYR   5           HE2      TYR   5  11.687   1.685   4.549
   40    HH   TYR   5           HH       TYR   5  11.682   3.081   1.718
   41    H    LYS   6           HN       LYS   6   5.518   1.494   2.508
   42    HA   LYS   6           HA       LYS   6   3.631   3.527   3.011
   43    HB2  LYS   6           HB2      LYS   6   4.928   3.266   0.906
   44    HB3  LYS   6           HB1      LYS   6   3.946   1.856   0.507
   45    HG2  LYS   6           HG2      LYS   6   1.919   3.227   0.537
   46    HG3  LYS   6           HG1      LYS   6   2.863   4.640   1.014
   47    HD2  LYS   6           HD2      LYS   6   4.152   4.491  -1.087
   48    HD3  LYS   6           HD1      LYS   6   3.193   3.091  -1.569
   49    HE2  LYS   6           HE2      LYS   6   2.300   5.122  -2.617
   50    HE3  LYS   6           HE1      LYS   6   1.139   4.471  -1.459
   51    HZ1  LYS   6           HZ1      LYS   6   1.908   6.055   0.175
   52    HZ2  LYS   6           HZ2      LYS   6   1.419   6.873  -1.232
   53    HZ3  LYS   6           HZ3      LYS   6   3.071   6.658  -0.901
   54    H    GLY   7           HN       GLY   7   3.274   0.106   2.210
   55    HA2  GLY   7           HA2      GLY   7   0.409   0.154   2.137
   56    HA3  GLY   7           HA1      GLY   7   1.430  -1.278   2.168
   57    H    GLN   8           HN       GLN   8   2.798  -0.130   4.637
   58    HA   GLN   8           HA       GLN   8   1.058  -1.399   6.554
   59    HB2  GLN   8           HB2      GLN   8   3.736  -0.046   6.827
   60    HB3  GLN   8           HB1      GLN   8   2.886  -0.812   8.168
   61    HG2  GLN   8           HG2      GLN   8   2.874  -2.950   6.965
   62    HG3  GLN   8           HG1      GLN   8   3.681  -2.197   5.591
   63   HE21  GLN   8          HE21      GLN   8   5.255  -4.115   6.296
   64   HE22  GLN   8          HE22      GLN   8   6.481  -3.676   7.385
   65    H    LEU   9           HN       LEU   9   2.399   1.861   6.146
   66    HA   LEU   9           HA       LEU   9   1.028   3.028   8.314
   67    HB2  LEU   9           HB2      LEU   9   2.992   4.062   7.142
   68    HB3  LEU   9           HB1      LEU   9   1.931   4.393   5.777
   69    HG   LEU   9           HG       LEU   9   0.449   5.722   7.317
   70   HD11  LEU   9          HD11      LEU   9   1.812   6.486   9.454
   71   HD12  LEU   9          HD12      LEU   9   2.591   4.914   9.271
   72   HD13  LEU   9          HD13      LEU   9   0.845   5.014   9.501
   73   HD21  LEU   9          HD21      LEU   9   3.358   6.544   7.046
   74   HD22  LEU   9          HD22      LEU   9   2.061   7.648   7.508
   75   HD23  LEU   9          HD23      LEU   9   2.047   6.890   5.917
   76    H    GLN  10           HN       GLN  10   0.218   2.736   4.916
   77    HA   GLN  10           HA       GLN  10  -2.127   4.264   5.103
   78    HB2  GLN  10           HB2      GLN  10  -1.003   3.648   2.960
   79    HB3  GLN  10           HB1      GLN  10  -1.573   1.996   3.178
   80    HG2  GLN  10           HG2      GLN  10  -3.122   3.120   1.709
   81    HG3  GLN  10           HG1      GLN  10  -3.927   2.902   3.259
   82   HE21  GLN  10          HE21      GLN  10  -1.763   5.364   1.733
   83   HE22  GLN  10          HE22      GLN  10  -2.652   6.695   2.294
   84    H    ALA  11           HN       ALA  11  -1.519   0.809   5.451
   85    HA   ALA  11           HA       ALA  11  -4.243   0.068   5.821
   86    HB1  ALA  11           HB1      ALA  11  -2.724  -1.637   5.157
   87    HB2  ALA  11           HB2      ALA  11  -3.195  -2.028   6.810
   88    HB3  ALA  11           HB3      ALA  11  -1.628  -1.283   6.492
   89    H    TYR  12           HN       TYR  12  -1.644   1.015   8.009
   90    HA   TYR  12           HA       TYR  12  -2.874   0.312  10.440
   91    HB2  TYR  12           HB2      TYR  12  -0.513   0.896  10.338
   92    HB3  TYR  12           HB1      TYR  12  -0.915   2.537   9.830
   93    HD1  TYR  12           HD1      TYR  12  -1.269   0.093  12.614
   94    HD2  TYR  12           HD2      TYR  12  -1.524   4.211  11.417
   95    HE1  TYR  12           HE1      TYR  12  -1.505   0.766  14.987
   96    HE2  TYR  12           HE2      TYR  12  -1.759   4.886  13.793
   97    HH   TYR  12           HH       TYR  12  -2.218   4.096  15.890
   98    H    ALA  13           HN       ALA  13  -2.838   3.427   8.694
   99    HA   ALA  13           HA       ALA  13  -4.446   4.850  10.486
  100    HB1  ALA  13           HB1      ALA  13  -4.823   5.497   7.609
  101    HB2  ALA  13           HB2      ALA  13  -3.149   5.441   8.142
  102    HB3  ALA  13           HB3      ALA  13  -4.286   6.531   8.935
  103    H    LEU  14           HN       LEU  14  -5.332   2.975   7.596
  104    HA   LEU  14           HA       LEU  14  -8.104   3.461   7.710
  105    HB2  LEU  14           HB2      LEU  14  -6.962   2.499   5.738
  106    HB3  LEU  14           HB1      LEU  14  -6.653   1.024   6.648
  107    HG   LEU  14           HG       LEU  14  -9.134   0.745   6.948
  108   HD11  LEU  14          HD11      LEU  14 -10.457   2.129   5.147
  109   HD12  LEU  14          HD12      LEU  14  -9.128   3.273   5.314
  110   HD13  LEU  14          HD13      LEU  14 -10.113   2.850   6.715
  111   HD21  LEU  14          HD21      LEU  14  -8.099  -0.526   5.220
  112   HD22  LEU  14          HD22      LEU  14  -7.960   0.883   4.167
  113   HD23  LEU  14          HD23      LEU  14  -9.545   0.182   4.500
  114    H    GLN  15           HN       GLN  15  -6.146   0.802   9.032
  115    HA   GLN  15           HA       GLN  15  -8.325  -0.622  10.136
  116    HB2  GLN  15           HB2      GLN  15  -6.081  -1.603   9.733
  117    HB3  GLN  15           HB1      GLN  15  -5.437  -0.617  11.048
  118    HG2  GLN  15           HG2      GLN  15  -6.971  -1.690  12.633
  119    HG3  GLN  15           HG1      GLN  15  -7.678  -2.642  11.329
  120   HE21  GLN  15          HE21      GLN  15  -6.452  -3.921  13.564
  121   HE22  GLN  15          HE22      GLN  15  -5.036  -4.692  13.032
  122    H    HIS  16           HN       HIS  16  -6.199   1.890  11.393
  123    HA   HIS  16           HA       HIS  16  -7.443   1.823  14.027
  124    HB2  HIS  16           HB2      HIS  16  -4.961   2.269  13.590
  125    HB3  HIS  16           HB1      HIS  16  -5.456   3.859  13.009
  126    HD2  HIS  16           HD2      HIS  16  -4.787   2.079  16.356
  127    HE1  HIS  16           HE1      HIS  16  -6.751   5.694  17.299
  128    HE2  HIS  16           HE2      HIS  16  -5.475   3.722  18.264
  129    H    ASN  17           HN       ASN  17  -8.328   3.031  11.104
  130    HA   ASN  17           HA       ASN  17  -9.794   4.653  10.399
  131    HB2  ASN  17           HB2      ASN  17 -10.591   4.465  13.310
  132    HB3  ASN  17           HB1      ASN  17 -11.482   5.396  12.109
  133   HD21  ASN  17          HD21      ASN  17 -12.608   3.117  13.493
  134   HD22  ASN  17          HD22      ASN  17 -12.900   1.910  12.336
  135    H    LEU  18           HN       LEU  18  -7.585   5.840  10.296
  136    HA   LEU  18           HA       LEU  18  -7.835   8.380  11.817
  137    HB2  LEU  18           HB2      LEU  18  -5.279   6.948  11.056
  138    HB3  LEU  18           HB1      LEU  18  -5.381   8.513  11.858
  139    HG   LEU  18           HG       LEU  18  -6.535   5.940  12.971
  140   HD11  LEU  18          HD11      LEU  18  -3.966   7.408  13.632
  141   HD12  LEU  18          HD12      LEU  18  -4.104   5.803  12.915
  142   HD13  LEU  18          HD13      LEU  18  -4.628   6.075  14.576
  143   HD21  LEU  18          HD21      LEU  18  -7.746   7.656  14.006
  144   HD22  LEU  18          HD22      LEU  18  -6.401   8.792  13.940
  145   HD23  LEU  18          HD23      LEU  18  -6.388   7.479  15.114
  146    H    GLU  19           HN       GLU  19  -7.195  10.256  10.734
  147    HA   GLU  19           HA       GLU  19  -7.980  10.581   8.128
  148    HB2  GLU  19           HB2      GLU  19  -6.609  12.663   8.134
  149    HB3  GLU  19           HB1      GLU  19  -7.591  12.480   9.587
  150    HG2  GLU  19           HG2      GLU  19  -5.559  11.425  10.691
  151    HG3  GLU  19           HG1      GLU  19  -4.628  11.950   9.290
  152    H    LEU  20           HN       LEU  20  -7.213  10.032   6.221
  153    HA   LEU  20           HA       LEU  20  -5.167   8.288   5.790
  154    HB2  LEU  20           HB2      LEU  20  -6.380  10.367   3.988
  155    HB3  LEU  20           HB1      LEU  20  -5.082   9.326   3.407
  156    HG   LEU  20           HG       LEU  20  -6.405   7.332   4.028
  157   HD11  LEU  20          HD11      LEU  20  -7.746   8.056   5.841
  158   HD12  LEU  20          HD12      LEU  20  -8.892   7.815   4.522
  159   HD13  LEU  20          HD13      LEU  20  -8.361   9.445   4.942
  160   HD21  LEU  20          HD21      LEU  20  -8.197   7.631   2.302
  161   HD22  LEU  20          HD22      LEU  20  -6.616   8.187   1.754
  162   HD23  LEU  20          HD23      LEU  20  -7.830   9.356   2.271
  163    HA   PRO  21           HA       PRO  21  -1.424  10.594   6.381
  164    HB2  PRO  21           HB2      PRO  21   0.331   9.172   4.832
  165    HB3  PRO  21           HB1      PRO  21  -0.305   8.551   6.361
  166    HG2  PRO  21           HG2      PRO  21  -1.177   7.937   3.574
  167    HG3  PRO  21           HG1      PRO  21  -0.964   6.845   4.954
  168    HD2  PRO  21           HD2      PRO  21  -3.423   7.767   4.177
  169    HD3  PRO  21           HD1      PRO  21  -3.034   7.374   5.869
  170    H    VAL  22           HN       VAL  22  -0.053  12.104   5.402
  171    HA   VAL  22           HA       VAL  22  -0.550  12.692   2.538
  172    HB   VAL  22           HB       VAL  22  -0.540  14.650   4.852
  173   HG11  VAL  22          HG11      VAL  22   0.702  15.732   3.129
  174   HG12  VAL  22          HG12      VAL  22  -0.944  16.346   2.979
  175   HG13  VAL  22          HG13      VAL  22  -0.362  15.106   1.868
  176   HG21  VAL  22          HG21      VAL  22  -2.701  13.586   4.491
  177   HG22  VAL  22          HG22      VAL  22  -2.612  13.921   2.761
  178   HG23  VAL  22          HG23      VAL  22  -2.774  15.250   3.908
  179    H    TYR  23           HN       TYR  23   1.189  12.969   1.401
  180    HA   TYR  23           HA       TYR  23   3.816  13.202   2.705
  181    HB2  TYR  23           HB2      TYR  23   2.995  12.162   0.009
  182    HB3  TYR  23           HB1      TYR  23   4.663  12.411   0.520
  183    HD1  TYR  23           HD1      TYR  23   1.492  10.775   1.683
  184    HD2  TYR  23           HD2      TYR  23   5.771  10.706   1.634
  185    HE1  TYR  23           HE1      TYR  23   1.469   8.607   2.881
  186    HE2  TYR  23           HE2      TYR  23   5.771   8.534   2.824
  187    HH   TYR  23           HH       TYR  23   2.837   6.723   3.304
  188    H    ALA  24           HN       ALA  24   5.364  14.593   1.871
  189    HA   ALA  24           HA       ALA  24   4.311  16.887   0.291
  190    HB1  ALA  24           HB1      ALA  24   6.674  17.196   2.104
  191    HB2  ALA  24           HB2      ALA  24   5.065  17.169   2.822
  192    HB3  ALA  24           HB3      ALA  24   5.475  18.388   1.614
  193    H    ASN  25           HN       ASN  25   5.619  17.681  -1.364
  194    HA   ASN  25           HA       ASN  25   8.039  16.075  -2.006
  195    HB2  ASN  25           HB2      ASN  25   6.029  17.270  -3.930
  196    HB3  ASN  25           HB1      ASN  25   7.452  16.322  -4.360
  197   HD21  ASN  25          HD21      ASN  25   7.108  14.417  -2.093
  198   HD22  ASN  25          HD22      ASN  25   5.776  13.447  -2.505
  199    H    GLU  26           HN       GLU  26   9.835  17.211  -2.126
  200    HA   GLU  26           HA       GLU  26   9.736  20.031  -3.047
  201    HB2  GLU  26           HB2      GLU  26  11.280  19.020  -0.653
  202    HB3  GLU  26           HB1      GLU  26  11.448  20.624  -1.356
  203    HG2  GLU  26           HG2      GLU  26   8.836  19.493  -0.334
  204    HG3  GLU  26           HG1      GLU  26   9.885  20.548   0.609
  205    H    ARG  27           HN       ARG  27  11.261  20.538  -4.499
  206    HA   ARG  27           HA       ARG  27  13.553  18.693  -4.885
  207    HB2  ARG  27           HB2      ARG  27  11.720  18.178  -6.520
  208    HB3  ARG  27           HB1      ARG  27  11.850  19.834  -7.115
  209    HG2  ARG  27           HG2      ARG  27  14.256  19.426  -7.643
  210    HG3  ARG  27           HG1      ARG  27  14.057  17.750  -7.132
  211    HD2  ARG  27           HD2      ARG  27  13.823  17.807  -9.528
  212    HD3  ARG  27           HD1      ARG  27  12.219  17.543  -8.849
  213    HE   ARG  27           HE       ARG  27  12.633  20.317  -9.187
  214   HH11  ARG  27          HH21      ARG  27  12.198  17.385 -10.968
  215   HH12  ARG  27          HH22      ARG  27  11.448  18.156 -12.324
  216   HH21  ARG  27          HH11      ARG  27  11.652  21.339 -10.962
  217   HH22  ARG  27          HH12      ARG  27  11.138  20.397 -12.320
  218    H    GLU  28           HN       GLU  28  15.404  19.831  -4.787
  219    HA   GLU  28           HA       GLU  28  15.604  22.363  -6.209
  220    HB2  GLU  28           HB2      GLU  28  14.795  23.040  -3.964
  221    HB3  GLU  28           HB1      GLU  28  16.157  22.189  -3.234
  222    HG2  GLU  28           HG2      GLU  28  17.737  23.646  -4.406
  223    HG3  GLU  28           HG1      GLU  28  16.408  24.461  -5.229
  224    H    GLY  29           HN       GLY  29  17.516  22.360  -7.219
  225    HA2  GLY  29           HA2      GLY  29  20.006  22.141  -6.446
  226    HA3  GLY  29           HA1      GLY  29  19.576  20.436  -6.353
  227    HA   PRO  30           HA       PRO  30  20.588  21.902 -10.793
  228    HB2  PRO  30           HB2      PRO  30  23.226  21.151 -10.989
  229    HB3  PRO  30           HB1      PRO  30  22.708  22.770 -10.484
  230    HG2  PRO  30           HG2      PRO  30  23.537  20.449  -8.797
  231    HG3  PRO  30           HG1      PRO  30  23.995  22.157  -8.655
  232    HD2  PRO  30           HD2      PRO  30  22.076  21.069  -7.074
  233    HD3  PRO  30           HD1      PRO  30  21.981  22.751  -7.641
  234    HA   PRO  31           HA       PRO  31  19.968  17.805 -12.424
  235    HB2  PRO  31           HB2      PRO  31  22.276  18.189 -14.303
  236    HB3  PRO  31           HB1      PRO  31  20.596  17.737 -14.657
  237    HG2  PRO  31           HG2      PRO  31  21.512  20.194 -15.155
  238    HG3  PRO  31           HG1      PRO  31  19.854  19.916 -14.588
  239    HD2  PRO  31           HD2      PRO  31  22.200  20.998 -13.079
  240    HD3  PRO  31           HD1      PRO  31  20.470  21.359 -12.911
  241    H    HIS  32           HN       HIS  32  23.477  18.536 -12.114
  242    HA   HIS  32           HA       HIS  32  24.178  15.779 -11.739
  243    HB2  HIS  32           HB2      HIS  32  25.699  18.372 -11.396
  244    HB3  HIS  32           HB1      HIS  32  26.428  16.777 -11.209
  245    HD2  HIS  32           HD2      HIS  32  26.870  15.382 -13.637
  246    HE1  HIS  32           HE1      HIS  32  25.466  18.441 -16.185
  247    HE2  HIS  32           HE2      HIS  32  26.661  16.202 -16.107
  248    H    ALA  33           HN       ALA  33  22.925  18.205  -9.710
  249    HA   ALA  33           HA       ALA  33  23.520  16.549  -7.347
  250    HB1  ALA  33           HB1      ALA  33  24.740  18.113  -6.234
  251    HB2  ALA  33           HB2      ALA  33  23.690  19.434  -6.730
  252    HB3  ALA  33           HB3      ALA  33  24.959  18.868  -7.806
  253    HA   PRO  34           HA       PRO  34  19.157  18.103  -7.456
  254    HB2  PRO  34           HB2      PRO  34  17.861  15.770  -7.983
  255    HB3  PRO  34           HB1      PRO  34  18.529  16.791  -9.272
  256    HG2  PRO  34           HG2      PRO  34  19.564  14.241  -8.154
  257    HG3  PRO  34           HG1      PRO  34  19.686  14.888  -9.800
  258    HD2  PRO  34           HD2      PRO  34  21.723  14.986  -7.827
  259    HD3  PRO  34           HD1      PRO  34  21.697  15.909  -9.343
  260    H    ARG  35           HN       ARG  35  17.870  18.087  -5.607
  261    HA   ARG  35           HA       ARG  35  18.398  15.948  -3.603
  262    HB2  ARG  35           HB2      ARG  35  18.038  18.907  -3.078
  263    HB3  ARG  35           HB1      ARG  35  18.195  17.656  -1.845
  264    HG2  ARG  35           HG2      ARG  35  20.416  17.059  -2.731
  265    HG3  ARG  35           HG1      ARG  35  20.265  18.318  -3.954
  266    HD2  ARG  35           HD2      ARG  35  20.070  20.018  -2.173
  267    HD3  ARG  35           HD1      ARG  35  20.258  18.756  -0.958
  268    HE   ARG  35           HE       ARG  35  22.455  18.537  -2.644
  269   HH11  ARG  35          HH21      ARG  35  21.001  20.895  -0.575
  270   HH12  ARG  35          HH22      ARG  35  22.499  21.661  -0.165
  271   HH21  ARG  35          HH11      ARG  35  24.425  19.535  -2.113
  272   HH22  ARG  35          HH12      ARG  35  24.438  20.892  -1.037
  273    H    PHE  36           HN       PHE  36  16.575  14.897  -3.006
  274    HA   PHE  36           HA       PHE  36  13.978  16.296  -3.508
  275    HB2  PHE  36           HB2      PHE  36  14.573  13.336  -3.392
  276    HB3  PHE  36           HB1      PHE  36  13.021  14.088  -3.771
  277    HD1  PHE  36           HD2      PHE  36  12.771  15.464  -5.773
  278    HD2  PHE  36           HD1      PHE  36  16.325  13.220  -5.015
  279    HE1  PHE  36           HE2      PHE  36  13.393  15.665  -8.162
  280    HE2  PHE  36           HE1      PHE  36  16.979  13.443  -7.374
  281    HZ   PHE  36           HZ       PHE  36  15.513  14.658  -8.974
  282    H    ARG  37           HN       ARG  37  13.465  17.156  -1.546
  283    HA   ARG  37           HA       ARG  37  13.726  15.420   0.841
  284    HB2  ARG  37           HB2      ARG  37  13.161  18.386   0.565
  285    HB3  ARG  37           HB1      ARG  37  13.234  17.517   2.095
  286    HG2  ARG  37           HG2      ARG  37  15.569  16.873   1.627
  287    HG3  ARG  37           HG1      ARG  37  15.498  17.728   0.085
  288    HD2  ARG  37           HD2      ARG  37  15.060  19.028   2.790
  289    HD3  ARG  37           HD1      ARG  37  16.573  19.083   1.890
  290    HE   ARG  37           HE       ARG  37  14.159  20.587   1.314
  291   HH11  ARG  37          HH21      ARG  37  17.141  19.288   0.132
  292   HH12  ARG  37          HH22      ARG  37  17.282  20.425  -1.165
  293   HH21  ARG  37          HH11      ARG  37  14.339  22.086  -0.384
  294   HH22  ARG  37          HH12      ARG  37  15.697  22.010  -1.458
  295    H    CYS  38           HN       CYS  38  12.001  14.133   1.047
  296    HA   CYS  38           HA       CYS  38   9.302  15.274   0.622
  297    HB2  CYS  38           HB2      CYS  38   9.812  13.303  -0.740
  298    HB3  CYS  38           HB1      CYS  38  10.196  12.388   0.719
  299    HG   CYS  38           HG       CYS  38   7.724  12.433   1.408
  300    H    ASN  39           HN       ASN  39   8.106  15.696   2.343
  301    HA   ASN  39           HA       ASN  39   8.839  14.452   4.942
  302    HB2  ASN  39           HB2      ASN  39   7.303  16.978   4.299
  303    HB3  ASN  39           HB1      ASN  39   7.482  16.312   5.917
  304   HD21  ASN  39          HD21      ASN  39   8.546  18.898   5.130
  305   HD22  ASN  39          HD22      ASN  39  10.237  18.799   5.238
  306    H    VAL  40           HN       VAL  40   7.215  13.558   6.255
  307    HA   VAL  40           HA       VAL  40   4.680  12.903   4.839
  308    HB   VAL  40           HB       VAL  40   6.042  10.910   5.010
  309   HG11  VAL  40          HG11      VAL  40   7.375  11.918   7.020
  310   HG12  VAL  40          HG12      VAL  40   7.110  10.180   6.970
  311   HG13  VAL  40          HG13      VAL  40   6.112  11.190   8.011
  312   HG21  VAL  40          HG21      VAL  40   3.540  10.873   5.595
  313   HG22  VAL  40          HG22      VAL  40   4.050  10.754   7.279
  314   HG23  VAL  40          HG23      VAL  40   4.496   9.491   6.131
  315    H    THR  41           HN       THR  41   2.995  13.815   5.748
  316    HA   THR  41           HA       THR  41   3.120  14.654   8.577
  317    HB   THR  41           HB       THR  41   1.067  15.250   6.433
  318    HG1  THR  41           HG1      THR  41   3.320  16.145   6.385
  319   HG21  THR  41          HG21      THR  41   0.466  17.069   8.153
  320   HG22  THR  41          HG22      THR  41   1.382  16.106   9.312
  321   HG23  THR  41          HG23      THR  41  -0.040  15.421   8.524
  322    H    PHE  42           HN       PHE  42   2.257  13.407  10.109
  323    HA   PHE  42           HA       PHE  42  -0.163  11.837   9.508
  324    HB2  PHE  42           HB2      PHE  42   2.131  10.503   9.302
  325    HB3  PHE  42           HB1      PHE  42   2.052  10.488  11.063
  326    HD1  PHE  42           HD1      PHE  42  -0.202   9.996   8.153
  327    HD2  PHE  42           HD2      PHE  42   0.938   8.630  12.039
  328    HE1  PHE  42           HE1      PHE  42  -1.880   8.189   7.987
  329    HE2  PHE  42           HE2      PHE  42  -0.740   6.784  11.875
  330    HZ   PHE  42           HZ       PHE  42  -2.140   6.584   9.858
  331    H    CYS  43           HN       CYS  43  -1.564  11.744  11.198
  332    HA   CYS  43           HA       CYS  43  -2.537  12.538  13.143
  333    HB2  CYS  43           HB2      CYS  43  -1.708  11.443  15.064
  334    HB3  CYS  43           HB1      CYS  43  -1.237  10.400  13.722
  335    HG   CYS  43           HG       CYS  43   0.765  12.393  15.080
  336    H    GLY  44           HN       GLY  44  -1.219  14.598  11.852
  337    HA2  GLY  44           HA2      GLY  44  -0.555  16.773  12.244
  338    HA3  GLY  44           HA1      GLY  44  -0.913  16.483  13.942
  339    H    GLN  45           HN       GLN  45   1.416  14.597  12.098
  340    HA   GLN  45           HA       GLN  45   3.662  15.970  13.450
  341    HB2  GLN  45           HB2      GLN  45   3.265  12.975  13.351
  342    HB3  GLN  45           HB1      GLN  45   4.654  13.826  14.034
  343    HG2  GLN  45           HG2      GLN  45   1.801  14.129  14.994
  344    HG3  GLN  45           HG1      GLN  45   3.027  13.140  15.783
  345   HE21  GLN  45          HE21      GLN  45   1.554  16.001  16.228
  346   HE22  GLN  45          HE22      GLN  45   2.836  16.921  16.855
  347    H    THR  46           HN       THR  46   5.321  16.367  12.123
  348    HA   THR  46           HA       THR  46   5.327  15.053   9.467
  349    HB   THR  46           HB       THR  46   6.508  17.032   8.665
  350    HG1  THR  46           HG1      THR  46   7.464  17.390  10.822
  351   HG21  THR  46          HG21      THR  46   4.066  17.737  10.314
  352   HG22  THR  46          HG22      THR  46   4.041  17.055   8.689
  353   HG23  THR  46          HG23      THR  46   4.695  18.671   8.956
  354    H    PHE  47           HN       PHE  47   6.703  13.391   9.505
  355    HA   PHE  47           HA       PHE  47   9.240  13.596  10.969
  356    HB2  PHE  47           HB2      PHE  47   7.785  11.320   9.629
  357    HB3  PHE  47           HB1      PHE  47   9.447  11.166  10.193
  358    HD1  PHE  47           HD1      PHE  47   6.007  12.054  11.272
  359    HD2  PHE  47           HD2      PHE  47   9.927  10.812  12.498
  360    HE1  PHE  47           HE1      PHE  47   5.163  11.649  13.571
  361    HE2  PHE  47           HE2      PHE  47   9.089  10.424  14.800
  362    HZ   PHE  47           HZ       PHE  47   6.704  10.843  15.337
  363    H    GLN  48           HN       GLN  48  11.220  13.600  10.001
  364    HA   GLN  48           HA       GLN  48  11.490  13.258   7.127
  365    HB2  GLN  48           HB2      GLN  48  12.505  15.491   6.797
  366    HB3  GLN  48           HB1      GLN  48  10.808  15.604   7.263
  367    HG2  GLN  48           HG2      GLN  48  11.525  15.941   9.633
  368    HG3  GLN  48           HG1      GLN  48  13.203  15.950   9.089
  369   HE21  GLN  48          HE21      GLN  48  12.955  18.262  10.135
  370   HE22  GLN  48          HE22      GLN  48  12.459  19.500   9.085
  371    H    SER  49           HN       SER  49  13.614  12.895   6.484
  372    HA   SER  49           HA       SER  49  15.417  12.081   8.619
  373    HB2  SER  49           HB2      SER  49  16.822  11.279   6.689
  374    HB3  SER  49           HB1      SER  49  15.215  10.564   6.769
  375    HG   SER  49           HG       SER  49  16.227  11.737   4.728
  376    H    SER  50           HN       SER  50  17.784  12.615   8.348
  377    HA   SER  50           HA       SER  50  18.067  15.523   8.028
  378    HB2  SER  50           HB2      SER  50  20.135  15.270   9.254
  379    HB3  SER  50           HB1      SER  50  18.871  14.383  10.102
  380    HG   SER  50           HG       SER  50  19.659  12.536   8.769
  381    H    GLU  51           HN       GLU  51  18.349  12.884   6.087
  382    HA   GLU  51           HA       GLU  51  20.556  14.084   4.499
  383    HB2  GLU  51           HB2      GLU  51  19.780  11.175   4.821
  384    HB3  GLU  51           HB1      GLU  51  20.927  11.772   3.621
  385    HG2  GLU  51           HG2      GLU  51  22.357  12.672   5.381
  386    HG3  GLU  51           HG1      GLU  51  21.188  12.194   6.610
  387    H    PHE  52           HN       PHE  52  20.352  14.003   2.262
  388    HA   PHE  52           HA       PHE  52  17.552  13.965   1.303
  389    HB2  PHE  52           HB2      PHE  52  18.825  15.170  -0.737
  390    HB3  PHE  52           HB1      PHE  52  18.285  16.059   0.684
  391    HD1  PHE  52           HD2      PHE  52  19.860  16.051   2.659
  392    HD2  PHE  52           HD1      PHE  52  21.104  15.318  -1.347
  393    HE1  PHE  52           HE2      PHE  52  22.180  16.725   3.285
  394    HE2  PHE  52           HE1      PHE  52  23.439  15.993  -0.765
  395    HZ   PHE  52           HZ       PHE  52  23.966  16.693   1.563
  396    H    PHE  53           HN       PHE  53  16.938  12.673  -0.173
  397    HA   PHE  53           HA       PHE  53  18.686  10.521  -1.020
  398    HB2  PHE  53           HB2      PHE  53  15.859  10.698  -1.992
  399    HB3  PHE  53           HB1      PHE  53  16.785   9.286  -1.483
  400    HD1  PHE  53           HD1      PHE  53  15.094  12.343  -0.266
  401    HD2  PHE  53           HD2      PHE  53  16.747   8.542   0.769
  402    HE1  PHE  53           HE1      PHE  53  14.104  12.551   1.987
  403    HE2  PHE  53           HE2      PHE  53  15.780   8.756   3.020
  404    HZ   PHE  53           HZ       PHE  53  14.447  10.738   3.645
  405    HA   PRO  54           HA       PRO  54  19.406  12.248  -5.069
  406    HB2  PRO  54           HB2      PRO  54  20.172  10.032  -6.451
  407    HB3  PRO  54           HB1      PRO  54  21.178  10.747  -5.175
  408    HG2  PRO  54           HG2      PRO  54  19.374   8.370  -5.045
  409    HG3  PRO  54           HG1      PRO  54  20.989   8.599  -4.350
  410    HD2  PRO  54           HD2      PRO  54  18.663   8.859  -2.884
  411    HD3  PRO  54           HD1      PRO  54  20.182   9.695  -2.487
  412    H    THR  55           HN       THR  55  16.806  10.212  -4.396
  413    HA   THR  55           HA       THR  55  15.586  10.768  -7.040
  414    HB   THR  55           HB       THR  55  14.999   8.158  -5.672
  415    HG1  THR  55           HG1      THR  55  16.874   7.830  -7.520
  416   HG21  THR  55          HG21      THR  55  13.769   9.046  -7.725
  417   HG22  THR  55          HG22      THR  55  14.468   7.435  -7.887
  418   HG23  THR  55          HG23      THR  55  15.279   8.825  -8.609
  419    H    LEU  56           HN       LEU  56  13.312  10.861  -7.063
  420    HA   LEU  56           HA       LEU  56  12.221  12.161  -4.818
  421    HB2  LEU  56           HB2      LEU  56  11.538  11.901  -7.484
  422    HB3  LEU  56           HB1      LEU  56  10.221  11.056  -6.678
  423    HG   LEU  56           HG       LEU  56  11.168  13.855  -5.986
  424   HD11  LEU  56          HD11      LEU  56   8.889  12.809  -7.644
  425   HD12  LEU  56          HD12      LEU  56  10.156  13.940  -8.116
  426   HD13  LEU  56          HD13      LEU  56   8.910  14.439  -6.974
  427   HD21  LEU  56          HD21      LEU  56  10.174  12.899  -4.031
  428   HD22  LEU  56          HD22      LEU  56   8.934  12.076  -4.977
  429   HD23  LEU  56          HD23      LEU  56   8.883  13.827  -4.792
  430    H    LYS  57           HN       LYS  57  11.094   9.037  -6.241
  431    HA   LYS  57           HA       LYS  57   9.437   8.313  -4.177
  432    HB2  LYS  57           HB2      LYS  57  11.118   6.620  -6.038
  433    HB3  LYS  57           HB1      LYS  57   9.852   5.966  -5.001
  434    HG2  LYS  57           HG2      LYS  57   8.183   7.406  -6.099
  435    HG3  LYS  57           HG1      LYS  57   9.443   8.115  -7.109
  436    HD2  LYS  57           HD2      LYS  57   9.920   5.903  -8.086
  437    HD3  LYS  57           HD1      LYS  57   8.667   5.181  -7.076
  438    HE2  LYS  57           HE2      LYS  57   6.972   6.622  -8.148
  439    HE3  LYS  57           HE1      LYS  57   8.223   7.339  -9.162
  440    HZ1  LYS  57           HZ1      LYS  57   8.704   4.950  -9.859
  441    HZ2  LYS  57           HZ2      LYS  57   7.299   5.680 -10.476
  442    HZ3  LYS  57           HZ3      LYS  57   7.191   4.572  -9.193
  443    H    SER  58           HN       SER  58  12.925   7.946  -4.442
  444    HA   SER  58           HA       SER  58  13.373   6.132  -2.381
  445    HB2  SER  58           HB2      SER  58  15.005   8.483  -3.347
  446    HB3  SER  58           HB1      SER  58  15.583   7.367  -2.113
  447    HG   SER  58           HG       SER  58  14.609   6.556  -4.652
  448    H    ALA  59           HN       ALA  59  12.694   9.578  -2.286
  449    HA   ALA  59           HA       ALA  59  13.220   9.900   0.506
  450    HB1  ALA  59           HB1      ALA  59  12.454  12.104   0.231
  451    HB2  ALA  59           HB2      ALA  59  11.408  11.661  -1.120
  452    HB3  ALA  59           HB3      ALA  59  13.152  11.695  -1.336
  453    H    GLU  60           HN       GLU  60  10.266   9.410  -1.407
  454    HA   GLU  60           HA       GLU  60   8.415   9.612   0.733
  455    HB2  GLU  60           HB2      GLU  60   8.293   8.152  -1.918
  456    HB3  GLU  60           HB1      GLU  60   6.920   8.313  -0.823
  457    HG2  GLU  60           HG2      GLU  60   7.010  10.732  -0.978
  458    HG3  GLU  60           HG1      GLU  60   8.489  10.655  -1.933
  459    H    HIS  61           HN       HIS  61  10.084   6.822  -0.714
  460    HA   HIS  61           HA       HIS  61   8.840   4.836   0.868
  461    HB2  HIS  61           HB2      HIS  61  11.547   4.875  -0.489
  462    HB3  HIS  61           HB1      HIS  61  10.791   3.438   0.185
  463    HD2  HIS  61           HD2      HIS  61  11.032   4.949  -3.186
  464    HE1  HIS  61           HE1      HIS  61   7.170   3.248  -3.137
  465    HE2  HIS  61           HE2      HIS  61   8.972   4.245  -4.623
  466    H    ALA  62           HN       ALA  62  11.959   6.515   1.234
  467    HA   ALA  62           HA       ALA  62  12.680   5.270   3.681
  468    HB1  ALA  62           HB1      ALA  62  13.551   7.963   2.611
  469    HB2  ALA  62           HB2      ALA  62  14.285   6.421   2.176
  470    HB3  ALA  62           HB3      ALA  62  14.380   7.005   3.837
  471    H    ALA  63           HN       ALA  63  10.833   8.156   2.887
  472    HA   ALA  63           HA       ALA  63  10.761   9.369   5.412
  473    HB1  ALA  63           HB1      ALA  63   9.925  10.602   3.556
  474    HB2  ALA  63           HB2      ALA  63   8.526  10.289   4.585
  475    HB3  ALA  63           HB3      ALA  63   8.783   9.328   3.128
  476    H    ALA  64           HN       ALA  64   8.722   6.824   4.005
  477    HA   ALA  64           HA       ALA  64   6.916   6.657   6.183
  478    HB1  ALA  64           HB1      ALA  64   6.046   4.775   5.099
  479    HB2  ALA  64           HB2      ALA  64   7.603   4.344   4.391
  480    HB3  ALA  64           HB3      ALA  64   6.709   5.734   3.778
  481    H    LYS  65           HN       LYS  65  10.057   5.130   5.535
  482    HA   LYS  65           HA       LYS  65  10.076   3.109   7.419
  483    HB2  LYS  65           HB2      LYS  65  11.856   3.637   5.720
  484    HB3  LYS  65           HB1      LYS  65  12.403   4.915   6.796
  485    HG2  LYS  65           HG2      LYS  65  12.826   3.307   8.574
  486    HG3  LYS  65           HG1      LYS  65  12.166   2.002   7.589
  487    HD2  LYS  65           HD2      LYS  65  13.944   2.382   5.907
  488    HD3  LYS  65           HD1      LYS  65  14.619   3.655   6.925
  489    HE2  LYS  65           HE2      LYS  65  14.292   0.752   7.734
  490    HE3  LYS  65           HE1      LYS  65  15.812   1.518   7.267
  491    HZ1  LYS  65           HZ1      LYS  65  16.033   2.382   9.283
  492    HZ2  LYS  65           HZ2      LYS  65  14.726   1.421   9.786
  493    HZ3  LYS  65           HZ3      LYS  65  14.461   3.018   9.272
  494    H    ILE  66           HN       ILE  66  10.993   6.536   7.891
  495    HA   ILE  66           HA       ILE  66  11.486   6.140  10.682
  496    HB   ILE  66           HB       ILE  66  11.556   8.650  10.702
  497   HG12  ILE  66          HG12      ILE  66  11.121   8.326   7.725
  498   HG13  ILE  66          HG11      ILE  66   9.895   8.931   8.840
  499   HG21  ILE  66          HG21      ILE  66  13.544   7.230  10.224
  500   HG22  ILE  66          HG22      ILE  66  13.607   8.778   9.379
  501   HG23  ILE  66          HG23      ILE  66  13.155   7.314   8.506
  502   HD11  ILE  66          HD11      ILE  66  10.930  10.874   7.941
  503   HD12  ILE  66          HD12      ILE  66  12.544  10.185   8.112
  504   HD13  ILE  66          HD13      ILE  66  11.642  10.680   9.543
  505    H    ALA  67           HN       ALA  67   8.737   6.975   8.729
  506    HA   ALA  67           HA       ALA  67   7.105   8.092  10.787
  507    HB1  ALA  67           HB1      ALA  67   6.001   6.703   8.356
  508    HB2  ALA  67           HB2      ALA  67   6.845   8.241   8.216
  509    HB3  ALA  67           HB3      ALA  67   5.385   8.128   9.195
  510    H    VAL  68           HN       VAL  68   7.117   4.868   9.277
  511    HA   VAL  68           HA       VAL  68   5.086   3.760  10.880
  512    HB   VAL  68           HB       VAL  68   5.884   2.790   8.726
  513   HG11  VAL  68          HG11      VAL  68   8.322   3.121   9.211
  514   HG12  VAL  68          HG12      VAL  68   7.934   1.490   8.676
  515   HG13  VAL  68          HG13      VAL  68   8.231   1.806  10.380
  516   HG21  VAL  68          HG21      VAL  68   4.604   1.473  10.451
  517   HG22  VAL  68          HG22      VAL  68   6.144   0.870  11.061
  518   HG23  VAL  68          HG23      VAL  68   5.632   0.481   9.419
  519    H    ALA  69           HN       ALA  69   8.534   4.184  11.377
  520    HA   ALA  69           HA       ALA  69   8.783   2.362  13.546
  521    HB1  ALA  69           HB1      ALA  69  10.655   3.344  12.115
  522    HB2  ALA  69           HB2      ALA  69  10.944   3.300  13.854
  523    HB3  ALA  69           HB3      ALA  69  10.481   4.813  13.077
  524    H    SER  70           HN       SER  70   7.902   5.751  13.261
  525    HA   SER  70           HA       SER  70   8.104   6.477  15.987
  526    HB2  SER  70           HB2      SER  70   6.158   7.558  13.940
  527    HB3  SER  70           HB1      SER  70   6.699   8.361  15.411
  528    HG   SER  70           HG       SER  70   8.877   8.091  14.481
  529    H    LEU  71           HN       LEU  71   5.441   5.137  14.086
  530    HA   LEU  71           HA       LEU  71   3.508   5.191  16.177
  531    HB2  LEU  71           HB2      LEU  71   3.589   3.315  13.807
  532    HB3  LEU  71           HB1      LEU  71   2.173   3.766  14.759
  533    HG   LEU  71           HG       LEU  71   3.856   5.667  13.102
  534   HD11  LEU  71          HD11      LEU  71   1.661   5.815  11.794
  535   HD12  LEU  71          HD12      LEU  71   1.164   4.362  12.660
  536   HD13  LEU  71          HD13      LEU  71   2.579   4.321  11.608
  537   HD21  LEU  71          HD21      LEU  71   1.513   6.038  14.969
  538   HD22  LEU  71          HD22      LEU  71   1.738   7.133  13.608
  539   HD23  LEU  71          HD23      LEU  71   2.989   6.993  14.837
  540    H    THR  72           HN       THR  72   6.023   2.953  15.283
  541    HA   THR  72           HA       THR  72   5.744   1.558  17.793
  542    HB   THR  72           HB       THR  72   5.265   0.035  15.220
  543    HG1  THR  72           HG1      THR  72   3.244   0.335  15.635
  544   HG21  THR  72          HG21      THR  72   4.756  -1.814  16.893
  545   HG22  THR  72          HG22      THR  72   5.494  -0.785  18.121
  546   HG23  THR  72          HG23      THR  72   6.454  -1.357  16.758
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  14.174  -0.370  -4.845
    2    H2   MET   1           HT2      MET   1  14.954  -1.876  -4.963
    3    H3   MET   1           HT3      MET   1  15.672  -0.611  -4.087
    4    HA   MET   1           HA       MET   1  14.204  -2.585  -3.002
    5    HB2  MET   1           HB2      MET   1  14.705   0.256  -2.086
    6    HB3  MET   1           HB1      MET   1  14.055  -0.999  -1.032
    7    HG2  MET   1           HG2      MET   1  16.039  -2.372  -1.364
    8    HG3  MET   1           HG1      MET   1  16.677  -1.220  -2.538
    9    HE1  MET   1           HE1      MET   1  16.258  -0.847   1.979
   10    HE2  MET   1           HE2      MET   1  15.453  -1.950   0.865
   11    HE3  MET   1           HE3      MET   1  14.859  -0.300   1.043
   12    H    ASP   2           HN       ASP   2  12.113  -3.055  -2.637
   13    HA   ASP   2           HA       ASP   2  10.050  -1.583  -3.941
   14    HB2  ASP   2           HB2      ASP   2   9.986  -3.855  -1.947
   15    HB3  ASP   2           HB1      ASP   2   8.537  -3.178  -2.691
   16    H    HIS   3           HN       HIS   3   8.487  -0.234  -3.113
   17    HA   HIS   3           HA       HIS   3   9.098   0.977  -0.507
   18    HB2  HIS   3           HB2      HIS   3   7.098   1.875  -2.592
   19    HB3  HIS   3           HB1      HIS   3   7.716   2.811  -1.232
   20    HD2  HIS   3           HD2      HIS   3   8.685   2.000  -4.879
   21    HE1  HIS   3           HE1      HIS   3  12.008   3.938  -3.143
   22    HE2  HIS   3           HE2      HIS   3  11.008   3.106  -5.323
   23    H    VAL   4           HN       VAL   4   8.260  -0.878   0.711
   24    HA   VAL   4           HA       VAL   4   5.446  -1.499   0.534
   25    HB   VAL   4           HB       VAL   4   5.930  -2.988   2.419
   26   HG11  VAL   4          HG11      VAL   4   8.035  -3.083   0.243
   27   HG12  VAL   4          HG12      VAL   4   6.404  -3.743   0.119
   28   HG13  VAL   4          HG13      VAL   4   7.551  -4.437   1.264
   29   HG21  VAL   4          HG21      VAL   4   8.697  -1.750   2.288
   30   HG22  VAL   4          HG22      VAL   4   8.264  -3.156   3.258
   31   HG23  VAL   4          HG23      VAL   4   7.553  -1.583   3.621
   32    H    TYR   5           HN       TYR   5   7.383   0.830   2.140
   33    HA   TYR   5           HA       TYR   5   6.043   1.165   4.563
   34    HB2  TYR   5           HB2      TYR   5   7.143   3.473   2.964
   35    HB3  TYR   5           HB1      TYR   5   7.154   3.225   4.711
   36    HD1  TYR   5           HD1      TYR   5   8.592   2.004   1.508
   37    HD2  TYR   5           HD2      TYR   5   8.902   2.047   5.774
   38    HE1  TYR   5           HE1      TYR   5  10.822   0.931   1.350
   39    HE2  TYR   5           HE2      TYR   5  11.133   0.982   5.638
   40    HH   TYR   5           HH       TYR   5  12.611  -0.020   4.274
   41    H    LYS   6           HN       LYS   6   5.422   2.600   1.370
   42    HA   LYS   6           HA       LYS   6   3.351   4.334   2.115
   43    HB2  LYS   6           HB2      LYS   6   4.473   4.339  -0.103
   44    HB3  LYS   6           HB1      LYS   6   3.643   2.836  -0.504
   45    HG2  LYS   6           HG2      LYS   6   1.467   3.943  -0.236
   46    HG3  LYS   6           HG1      LYS   6   2.273   5.443   0.224
   47    HD2  LYS   6           HD2      LYS   6   3.384   5.517  -1.985
   48    HD3  LYS   6           HD1      LYS   6   2.552   4.030  -2.444
   49    HE2  LYS   6           HE2      LYS   6   0.378   5.134  -2.167
   50    HE3  LYS   6           HE1      LYS   6   1.183   6.619  -1.657
   51    HZ1  LYS   6           HZ1      LYS   6   2.369   5.895  -4.035
   52    HZ2  LYS   6           HZ2      LYS   6   1.280   7.174  -3.784
   53    HZ3  LYS   6           HZ3      LYS   6   0.709   5.653  -4.281
   54    H    GLY   7           HN       GLY   7   3.271   0.932   1.111
   55    HA2  GLY   7           HA2      GLY   7   0.420   0.702   1.257
   56    HA3  GLY   7           HA1      GLY   7   1.568  -0.628   1.136
   57    H    GLN   8           HN       GLN   8   3.021   0.489   3.554
   58    HA   GLN   8           HA       GLN   8   1.562  -1.036   5.507
   59    HB2  GLN   8           HB2      GLN   8   4.051  -1.018   5.370
   60    HB3  GLN   8           HB1      GLN   8   4.035   0.669   5.877
   61    HG2  GLN   8           HG2      GLN   8   4.433  -0.747   7.823
   62    HG3  GLN   8           HG1      GLN   8   2.839  -0.010   7.967
   63   HE21  GLN   8          HE21      GLN   8   1.680  -1.643   9.071
   64   HE22  GLN   8          HE22      GLN   8   1.519  -3.233   8.500
   65    H    LEU   9           HN       LEU   9   2.489   2.363   5.174
   66    HA   LEU   9           HA       LEU   9   1.226   3.269   7.522
   67    HB2  LEU   9           HB2      LEU   9   2.900   4.618   6.322
   68    HB3  LEU   9           HB1      LEU   9   1.783   4.796   4.971
   69    HG   LEU   9           HG       LEU   9   0.170   5.948   6.464
   70   HD11  LEU   9          HD11      LEU   9   1.315   6.735   8.727
   71   HD12  LEU   9          HD12      LEU   9   2.247   5.252   8.525
   72   HD13  LEU   9          HD13      LEU   9   0.489   5.182   8.637
   73   HD21  LEU   9          HD21      LEU   9   1.626   7.396   5.259
   74   HD22  LEU   9          HD22      LEU   9   2.990   7.034   6.317
   75   HD23  LEU   9          HD23      LEU   9   1.635   7.991   6.917
   76    H    GLN  10           HN       GLN  10   0.082   2.963   4.230
   77    HA   GLN  10           HA       GLN  10  -2.368   4.225   4.685
   78    HB2  GLN  10           HB2      GLN  10  -1.524   3.781   2.424
   79    HB3  GLN  10           HB1      GLN  10  -1.676   2.048   2.700
   80    HG2  GLN  10           HG2      GLN  10  -4.079   2.215   2.882
   81    HG3  GLN  10           HG1      GLN  10  -4.009   3.976   2.840
   82   HE21  GLN  10          HE21      GLN  10  -2.621   1.322   0.800
   83   HE22  GLN  10          HE22      GLN  10  -3.113   2.011  -0.671
   84    H    ALA  11           HN       ALA  11  -1.371   0.864   5.016
   85    HA   ALA  11           HA       ALA  11  -3.958  -0.163   5.616
   86    HB1  ALA  11           HB1      ALA  11  -2.208  -1.649   4.840
   87    HB2  ALA  11           HB2      ALA  11  -2.689  -2.138   6.466
   88    HB3  ALA  11           HB3      ALA  11  -1.194  -1.234   6.221
   89    H    TYR  12           HN       TYR  12  -1.291   1.089   7.569
   90    HA   TYR  12           HA       TYR  12  -2.272   0.343  10.103
   91    HB2  TYR  12           HB2      TYR  12   0.017   1.109   9.807
   92    HB3  TYR  12           HB1      TYR  12  -0.551   2.697   9.294
   93    HD1  TYR  12           HD1      TYR  12  -0.387   0.336  12.155
   94    HD2  TYR  12           HD2      TYR  12  -1.270   4.342  10.882
   95    HE1  TYR  12           HE1      TYR  12  -0.490   1.066  14.522
   96    HE2  TYR  12           HE2      TYR  12  -1.372   5.071  13.252
   97    HH   TYR  12           HH       TYR  12  -1.829   3.982  15.488
   98    H    ALA  13           HN       ALA  13  -2.587   3.434   8.342
   99    HA   ALA  13           HA       ALA  13  -4.191   4.746  10.216
  100    HB1  ALA  13           HB1      ALA  13  -4.677   5.243   7.299
  101    HB2  ALA  13           HB2      ALA  13  -3.054   5.519   7.916
  102    HB3  ALA  13           HB3      ALA  13  -4.418   6.399   8.608
  103    H    LEU  14           HN       LEU  14  -5.108   2.751   7.414
  104    HA   LEU  14           HA       LEU  14  -7.887   3.065   7.683
  105    HB2  LEU  14           HB2      LEU  14  -6.816   2.141   5.664
  106    HB3  LEU  14           HB1      LEU  14  -6.339   0.710   6.575
  107    HG   LEU  14           HG       LEU  14  -8.762   0.251   7.042
  108   HD11  LEU  14          HD11      LEU  14 -10.313   1.529   5.331
  109   HD12  LEU  14          HD12      LEU  14  -9.061   2.768   5.420
  110   HD13  LEU  14          HD13      LEU  14  -9.916   2.268   6.879
  111   HD21  LEU  14          HD21      LEU  14  -7.799   0.437   4.186
  112   HD22  LEU  14          HD22      LEU  14  -9.321  -0.341   4.625
  113   HD23  LEU  14          HD23      LEU  14  -7.798  -0.969   5.253
  114    H    GLN  15           HN       GLN  15  -5.700   0.547   8.916
  115    HA   GLN  15           HA       GLN  15  -7.718  -0.977  10.182
  116    HB2  GLN  15           HB2      GLN  15  -5.483  -1.874   9.645
  117    HB3  GLN  15           HB1      GLN  15  -4.771  -0.804  10.852
  118    HG2  GLN  15           HG2      GLN  15  -6.024  -1.884  12.630
  119    HG3  GLN  15           HG1      GLN  15  -6.909  -2.865  11.462
  120   HE21  GLN  15          HE21      GLN  15  -5.400  -4.125  13.512
  121   HE22  GLN  15          HE22      GLN  15  -4.064  -4.900  12.810
  122    H    HIS  16           HN       HIS  16  -5.701   1.704  11.241
  123    HA   HIS  16           HA       HIS  16  -6.778   1.595  13.964
  124    HB2  HIS  16           HB2      HIS  16  -4.669   3.307  12.637
  125    HB3  HIS  16           HB1      HIS  16  -5.224   3.567  14.292
  126    HD2  HIS  16           HD2      HIS  16  -3.910   1.983  16.141
  127    HE1  HIS  16           HE1      HIS  16  -2.333  -0.871  13.462
  128    HE2  HIS  16           HE2      HIS  16  -2.384  -0.121  15.887
  129    H    ASN  17           HN       ASN  17  -7.760   2.828  11.052
  130    HA   ASN  17           HA       ASN  17  -9.287   4.422  10.423
  131    HB2  ASN  17           HB2      ASN  17 -10.022   4.140  13.343
  132    HB3  ASN  17           HB1      ASN  17 -10.960   5.070  12.179
  133   HD21  ASN  17          HD21      ASN  17 -12.014   2.742  13.520
  134   HD22  ASN  17          HD22      ASN  17 -12.279   1.546  12.345
  135    H    LEU  18           HN       LEU  18  -7.142   5.692  10.289
  136    HA   LEU  18           HA       LEU  18  -7.389   8.151  11.940
  137    HB2  LEU  18           HB2      LEU  18  -4.852   6.867  10.905
  138    HB3  LEU  18           HB1      LEU  18  -4.945   8.379  11.804
  139    HG   LEU  18           HG       LEU  18  -5.961   5.723  12.857
  140   HD11  LEU  18          HD11      LEU  18  -3.310   7.127  13.244
  141   HD12  LEU  18          HD12      LEU  18  -3.592   5.495  12.639
  142   HD13  LEU  18          HD13      LEU  18  -3.899   5.871  14.333
  143   HD21  LEU  18          HD21      LEU  18  -5.627   7.107  15.071
  144   HD22  LEU  18          HD22      LEU  18  -7.062   7.395  14.095
  145   HD23  LEU  18          HD23      LEU  18  -5.697   8.508  14.002
  146    H    GLU  19           HN       GLU  19  -7.129  10.082  10.903
  147    HA   GLU  19           HA       GLU  19  -8.040  10.510   8.395
  148    HB2  GLU  19           HB2      GLU  19  -6.586  12.625   8.411
  149    HB3  GLU  19           HB1      GLU  19  -7.705  12.418   9.757
  150    HG2  GLU  19           HG2      GLU  19  -4.850  11.446   9.923
  151    HG3  GLU  19           HG1      GLU  19  -5.279  13.105  10.329
  152    H    LEU  20           HN       LEU  20  -7.336  10.347   6.365
  153    HA   LEU  20           HA       LEU  20  -5.357   8.641   5.618
  154    HB2  LEU  20           HB2      LEU  20  -6.049  11.055   3.956
  155    HB3  LEU  20           HB1      LEU  20  -5.571   9.451   3.402
  156    HG   LEU  20           HG       LEU  20  -8.153  10.201   4.799
  157   HD11  LEU  20          HD11      LEU  20  -7.487   9.146   2.040
  158   HD12  LEU  20          HD12      LEU  20  -8.177  10.719   2.439
  159   HD13  LEU  20          HD13      LEU  20  -9.124   9.251   2.686
  160   HD21  LEU  20          HD21      LEU  20  -6.922   7.513   4.153
  161   HD22  LEU  20          HD22      LEU  20  -8.664   7.710   4.341
  162   HD23  LEU  20          HD23      LEU  20  -7.589   8.065   5.690
  163    HA   PRO  21           HA       PRO  21  -1.568  10.837   6.395
  164    HB2  PRO  21           HB2      PRO  21   0.147   9.414   4.813
  165    HB3  PRO  21           HB1      PRO  21  -0.533   8.747   6.303
  166    HG2  PRO  21           HG2      PRO  21  -1.377   8.286   3.476
  167    HG3  PRO  21           HG1      PRO  21  -1.232   7.126   4.811
  168    HD2  PRO  21           HD2      PRO  21  -3.633   8.197   4.028
  169    HD3  PRO  21           HD1      PRO  21  -3.296   7.676   5.695
  170    H    VAL  22           HN       VAL  22  -0.142  12.324   5.454
  171    HA   VAL  22           HA       VAL  22  -0.639  13.028   2.617
  172    HB   VAL  22           HB       VAL  22  -0.496  14.910   4.989
  173   HG11  VAL  22          HG11      VAL  22  -0.901  16.658   3.145
  174   HG12  VAL  22          HG12      VAL  22  -0.350  15.420   2.016
  175   HG13  VAL  22          HG13      VAL  22   0.732  16.006   3.280
  176   HG21  VAL  22          HG21      VAL  22  -2.690  13.789   4.506
  177   HG22  VAL  22          HG22      VAL  22  -2.659  14.519   2.901
  178   HG23  VAL  22          HG23      VAL  22  -2.743  15.542   4.335
  179    H    TYR  23           HN       TYR  23   1.101  13.270   1.468
  180    HA   TYR  23           HA       TYR  23   3.750  13.364   2.760
  181    HB2  TYR  23           HB2      TYR  23   2.913  12.385   0.056
  182    HB3  TYR  23           HB1      TYR  23   4.584  12.551   0.596
  183    HD1  TYR  23           HD1      TYR  23   1.335  11.036   1.664
  184    HD2  TYR  23           HD2      TYR  23   5.597  10.818   1.741
  185    HE1  TYR  23           HE1      TYR  23   1.196   8.857   2.821
  186    HE2  TYR  23           HE2      TYR  23   5.493   8.625   2.896
  187    HH   TYR  23           HH       TYR  23   2.997   6.703   2.936
  188    H    ALA  24           HN       ALA  24   5.359  14.685   1.924
  189    HA   ALA  24           HA       ALA  24   4.382  17.051   0.397
  190    HB1  ALA  24           HB1      ALA  24   5.257  17.238   2.932
  191    HB2  ALA  24           HB2      ALA  24   5.594  18.493   1.740
  192    HB3  ALA  24           HB3      ALA  24   6.822  17.288   2.120
  193    H    ASN  25           HN       ASN  25   5.698  17.846  -1.242
  194    HA   ASN  25           HA       ASN  25   8.000  16.119  -2.007
  195    HB2  ASN  25           HB2      ASN  25   5.930  17.438  -3.781
  196    HB3  ASN  25           HB1      ASN  25   7.352  16.571  -4.357
  197   HD21  ASN  25          HD21      ASN  25   7.029  14.598  -2.025
  198   HD22  ASN  25          HD22      ASN  25   5.768  13.577  -2.522
  199    H    GLU  26           HN       GLU  26   9.852  17.158  -2.138
  200    HA   GLU  26           HA       GLU  26   9.887  19.997  -3.003
  201    HB2  GLU  26           HB2      GLU  26  11.370  18.848  -0.634
  202    HB3  GLU  26           HB1      GLU  26  11.682  20.432  -1.326
  203    HG2  GLU  26           HG2      GLU  26   9.376  21.112  -0.882
  204    HG3  GLU  26           HG1      GLU  26   9.002  19.507  -0.254
  205    H    ARG  27           HN       ARG  27  11.312  20.346  -4.598
  206    HA   ARG  27           HA       ARG  27  13.552  18.436  -4.964
  207    HB2  ARG  27           HB2      ARG  27  11.671  17.900  -6.513
  208    HB3  ARG  27           HB1      ARG  27  11.788  19.531  -7.171
  209    HG2  ARG  27           HG2      ARG  27  14.180  19.068  -7.767
  210    HG3  ARG  27           HG1      ARG  27  13.955  17.409  -7.212
  211    HD2  ARG  27           HD2      ARG  27  12.059  17.209  -8.864
  212    HD3  ARG  27           HD1      ARG  27  12.518  18.789  -9.487
  213    HE   ARG  27           HE       ARG  27  13.978  16.295  -9.855
  214   HH11  ARG  27          HH21      ARG  27  13.994  19.756  -9.939
  215   HH12  ARG  27          HH22      ARG  27  15.334  19.861 -11.032
  216   HH21  ARG  27          HH11      ARG  27  15.737  16.427 -11.288
  217   HH22  ARG  27          HH12      ARG  27  16.319  17.977 -11.796
  218    H    GLU  28           HN       GLU  28  15.451  19.492  -5.033
  219    HA   GLU  28           HA       GLU  28  15.688  21.947  -6.536
  220    HB2  GLU  28           HB2      GLU  28  16.746  23.125  -4.543
  221    HB3  GLU  28           HB1      GLU  28  14.990  22.969  -4.501
  222    HG2  GLU  28           HG2      GLU  28  15.222  20.951  -3.074
  223    HG3  GLU  28           HG1      GLU  28  16.970  21.160  -3.087
  224    H    GLY  29           HN       GLY  29  17.632  21.926  -7.507
  225    HA2  GLY  29           HA2      GLY  29  20.112  21.667  -6.767
  226    HA3  GLY  29           HA1      GLY  29  19.650  19.979  -6.575
  227    HA   PRO  30           HA       PRO  30  20.780  21.065 -11.077
  228    HB2  PRO  30           HB2      PRO  30  23.329  20.000 -11.147
  229    HB3  PRO  30           HB1      PRO  30  22.989  21.707 -10.787
  230    HG2  PRO  30           HG2      PRO  30  23.571  19.456  -8.927
  231    HG3  PRO  30           HG1      PRO  30  24.136  21.132  -8.867
  232    HD2  PRO  30           HD2      PRO  30  22.096  20.222  -7.293
  233    HD3  PRO  30           HD1      PRO  30  22.175  21.900  -7.876
  234    HA   PRO  31           HA       PRO  31  19.676  17.006 -12.399
  235    HB2  PRO  31           HB2      PRO  31  21.327  16.642 -14.632
  236    HB3  PRO  31           HB1      PRO  31  19.812  17.566 -14.631
  237    HG2  PRO  31           HG2      PRO  31  22.623  18.550 -14.371
  238    HG3  PRO  31           HG1      PRO  31  21.274  19.228 -15.305
  239    HD2  PRO  31           HD2      PRO  31  21.979  20.318 -12.967
  240    HD3  PRO  31           HD1      PRO  31  20.265  20.171 -13.408
  241    H    HIS  32           HN       HIS  32  23.205  17.559 -12.248
  242    HA   HIS  32           HA       HIS  32  23.792  14.752 -11.966
  243    HB2  HIS  32           HB2      HIS  32  25.374  16.254 -13.067
  244    HB3  HIS  32           HB1      HIS  32  25.498  17.225 -11.601
  245    HD2  HIS  32           HD2      HIS  32  27.526  16.380  -9.930
  246    HE1  HIS  32           HE1      HIS  32  27.943  12.459 -11.437
  247    HE2  HIS  32           HE2      HIS  32  28.871  14.145  -9.779
  248    H    ALA  33           HN       ALA  33  22.788  17.242  -9.898
  249    HA   ALA  33           HA       ALA  33  23.323  15.548  -7.548
  250    HB1  ALA  33           HB1      ALA  33  23.777  18.397  -6.920
  251    HB2  ALA  33           HB2      ALA  33  24.942  17.744  -8.065
  252    HB3  ALA  33           HB3      ALA  33  24.738  16.983  -6.491
  253    HA   PRO  34           HA       PRO  34  19.125  17.516  -7.568
  254    HB2  PRO  34           HB2      PRO  34  17.605  15.290  -7.964
  255    HB3  PRO  34           HB1      PRO  34  18.296  16.222  -9.306
  256    HG2  PRO  34           HG2      PRO  34  19.206  13.637  -8.135
  257    HG3  PRO  34           HG1      PRO  34  19.238  14.187  -9.820
  258    HD2  PRO  34           HD2      PRO  34  21.443  14.210  -8.092
  259    HD3  PRO  34           HD1      PRO  34  21.305  15.175  -9.572
  260    H    ARG  35           HN       ARG  35  17.856  17.646  -5.722
  261    HA   ARG  35           HA       ARG  35  18.325  15.592  -3.622
  262    HB2  ARG  35           HB2      ARG  35  18.003  18.576  -3.246
  263    HB3  ARG  35           HB1      ARG  35  18.189  17.385  -1.960
  264    HG2  ARG  35           HG2      ARG  35  20.385  16.727  -2.904
  265    HG3  ARG  35           HG1      ARG  35  20.210  17.972  -4.143
  266    HD2  ARG  35           HD2      ARG  35  20.190  18.509  -1.161
  267    HD3  ARG  35           HD1      ARG  35  21.599  18.713  -2.200
  268    HE   ARG  35           HE       ARG  35  19.353  20.498  -1.997
  269   HH11  ARG  35          HH21      ARG  35  21.817  19.233  -4.071
  270   HH12  ARG  35          HH22      ARG  35  21.860  20.626  -5.099
  271   HH21  ARG  35          HH11      ARG  35  19.403  22.327  -3.340
  272   HH22  ARG  35          HH12      ARG  35  20.493  22.378  -4.686
  273    H    PHE  36           HN       PHE  36  16.501  14.562  -3.063
  274    HA   PHE  36           HA       PHE  36  13.921  15.996  -3.520
  275    HB2  PHE  36           HB2      PHE  36  14.478  13.027  -3.406
  276    HB3  PHE  36           HB1      PHE  36  12.925  13.794  -3.743
  277    HD1  PHE  36           HD2      PHE  36  12.634  15.165  -5.752
  278    HD2  PHE  36           HD1      PHE  36  16.174  12.878  -5.086
  279    HE1  PHE  36           HE2      PHE  36  13.178  15.323  -8.166
  280    HE2  PHE  36           HE1      PHE  36  16.766  13.079  -7.459
  281    HZ   PHE  36           HZ       PHE  36  15.267  14.286  -9.033
  282    H    ARG  37           HN       ARG  37  13.463  16.883  -1.559
  283    HA   ARG  37           HA       ARG  37  13.689  15.159   0.839
  284    HB2  ARG  37           HB2      ARG  37  13.216  18.146   0.562
  285    HB3  ARG  37           HB1      ARG  37  13.303  17.284   2.094
  286    HG2  ARG  37           HG2      ARG  37  15.609  16.532   1.470
  287    HG3  ARG  37           HG1      ARG  37  15.505  17.538   0.026
  288    HD2  ARG  37           HD2      ARG  37  15.218  18.553   2.870
  289    HD3  ARG  37           HD1      ARG  37  16.677  18.690   1.894
  290    HE   ARG  37           HE       ARG  37  14.598  19.822   0.411
  291   HH11  ARG  37          HH21      ARG  37  16.245  20.293   3.419
  292   HH12  ARG  37          HH22      ARG  37  16.001  22.008   3.444
  293   HH21  ARG  37          HH11      ARG  37  14.266  22.070   0.443
  294   HH22  ARG  37          HH12      ARG  37  14.882  23.013   1.759
  295    H    CYS  38           HN       CYS  38  11.919  13.934   1.008
  296    HA   CYS  38           HA       CYS  38   9.259  15.185   0.605
  297    HB2  CYS  38           HB2      CYS  38   9.726  13.205  -0.780
  298    HB3  CYS  38           HB1      CYS  38  10.026  12.263   0.682
  299    HG   CYS  38           HG       CYS  38   7.571  12.199   1.183
  300    H    ASN  39           HN       ASN  39   8.087  15.622   2.331
  301    HA   ASN  39           HA       ASN  39   8.804  14.339   4.916
  302    HB2  ASN  39           HB2      ASN  39   7.363  16.927   4.305
  303    HB3  ASN  39           HB1      ASN  39   7.501  16.239   5.917
  304   HD21  ASN  39          HD21      ASN  39   8.674  18.776   5.250
  305   HD22  ASN  39          HD22      ASN  39  10.361  18.609   5.333
  306    H    VAL  40           HN       VAL  40   7.172  13.500   6.252
  307    HA   VAL  40           HA       VAL  40   4.593  12.946   4.876
  308    HB   VAL  40           HB       VAL  40   5.891  10.912   4.967
  309   HG11  VAL  40          HG11      VAL  40   7.328  11.820   6.937
  310   HG12  VAL  40          HG12      VAL  40   6.975  10.098   6.893
  311   HG13  VAL  40          HG13      VAL  40   6.067  11.153   7.972
  312   HG21  VAL  40          HG21      VAL  40   3.422  10.880   5.590
  313   HG22  VAL  40          HG22      VAL  40   3.932  10.804   7.277
  314   HG23  VAL  40          HG23      VAL  40   4.364   9.506   6.166
  315    H    THR  41           HN       THR  41   2.967  13.867   5.828
  316    HA   THR  41           HA       THR  41   3.155  14.625   8.686
  317    HB   THR  41           HB       THR  41   1.117  15.394   6.590
  318    HG1  THR  41           HG1      THR  41   2.216  17.390   6.741
  319   HG21  THR  41          HG21      THR  41   0.574  17.154   8.356
  320   HG22  THR  41          HG22      THR  41   1.515  16.175   9.482
  321   HG23  THR  41          HG23      THR  41   0.065  15.508   8.734
  322    H    PHE  42           HN       PHE  42   2.284  13.340  10.178
  323    HA   PHE  42           HA       PHE  42  -0.222  11.913   9.557
  324    HB2  PHE  42           HB2      PHE  42   2.014  10.492   9.289
  325    HB3  PHE  42           HB1      PHE  42   1.942  10.422  11.046
  326    HD1  PHE  42           HD1      PHE  42  -0.362  10.130   8.143
  327    HD2  PHE  42           HD2      PHE  42   0.780   8.570  11.958
  328    HE1  PHE  42           HE1      PHE  42  -2.120   8.403   7.941
  329    HE2  PHE  42           HE2      PHE  42  -0.972   6.810  11.751
  330    HZ   PHE  42           HZ       PHE  42  -2.419   6.741   9.757
  331    H    CYS  43           HN       CYS  43  -1.612  11.813  11.266
  332    HA   CYS  43           HA       CYS  43  -2.529  12.529  13.254
  333    HB2  CYS  43           HB2      CYS  43   0.000  11.509  14.533
  334    HB3  CYS  43           HB1      CYS  43  -1.659  11.403  15.122
  335    HG   CYS  43           HG       CYS  43  -1.887   9.262  13.920
  336    H    GLY  44           HN       GLY  44  -1.081  14.559  11.894
  337    HA2  GLY  44           HA2      GLY  44  -0.454  16.748  12.302
  338    HA3  GLY  44           HA1      GLY  44  -0.813  16.463  14.001
  339    H    GLN  45           HN       GLN  45   1.476  14.550  12.142
  340    HA   GLN  45           HA       GLN  45   3.747  15.872  13.502
  341    HB2  GLN  45           HB2      GLN  45   3.295  12.884  13.364
  342    HB3  GLN  45           HB1      GLN  45   4.703  13.700  14.049
  343    HG2  GLN  45           HG2      GLN  45   1.859  14.056  15.029
  344    HG3  GLN  45           HG1      GLN  45   3.065  13.024  15.795
  345   HE21  GLN  45          HE21      GLN  45   1.671  15.918  16.286
  346   HE22  GLN  45          HE22      GLN  45   2.978  16.793  16.922
  347    H    THR  46           HN       THR  46   5.277  16.394  12.103
  348    HA   THR  46           HA       THR  46   5.306  15.068   9.461
  349    HB   THR  46           HB       THR  46   6.381  17.053   8.624
  350    HG1  THR  46           HG1      THR  46   6.627  17.583  11.366
  351   HG21  THR  46          HG21      THR  46   3.862  17.029   9.097
  352   HG22  THR  46          HG22      THR  46   4.608  18.613   8.891
  353   HG23  THR  46          HG23      THR  46   4.228  18.021  10.508
  354    H    PHE  47           HN       PHE  47   6.685  13.416   9.477
  355    HA   PHE  47           HA       PHE  47   9.220  13.608  10.932
  356    HB2  PHE  47           HB2      PHE  47   7.795  11.359   9.517
  357    HB3  PHE  47           HB1      PHE  47   9.457  11.210  10.076
  358    HD1  PHE  47           HD1      PHE  47   6.010  12.029  11.198
  359    HD2  PHE  47           HD2      PHE  47   9.947  10.773  12.352
  360    HE1  PHE  47           HE1      PHE  47   5.185  11.534  13.487
  361    HE2  PHE  47           HE2      PHE  47   9.130  10.298  14.644
  362    HZ   PHE  47           HZ       PHE  47   6.747  10.678  15.213
  363    H    GLN  48           HN       GLN  48  11.204  13.660   9.973
  364    HA   GLN  48           HA       GLN  48  11.448  13.462   7.067
  365    HB2  GLN  48           HB2      GLN  48  10.847  15.832   7.448
  366    HB3  GLN  48           HB1      GLN  48  12.212  15.992   8.552
  367    HG2  GLN  48           HG2      GLN  48  13.782  15.489   6.771
  368    HG3  GLN  48           HG1      GLN  48  12.462  15.147   5.654
  369   HE21  GLN  48          HE21      GLN  48  12.596  16.859   4.165
  370   HE22  GLN  48          HE22      GLN  48  12.587  18.500   4.599
  371    H    SER  49           HN       SER  49  13.604  13.202   6.368
  372    HA   SER  49           HA       SER  49  15.403  12.195   8.467
  373    HB2  SER  49           HB2      SER  49  15.460  11.919   5.453
  374    HB3  SER  49           HB1      SER  49  16.663  11.237   6.544
  375    HG   SER  49           HG       SER  49  14.434  10.133   5.824
  376    H    SER  50           HN       SER  50  17.703  12.690   8.324
  377    HA   SER  50           HA       SER  50  18.126  15.537   7.851
  378    HB2  SER  50           HB2      SER  50  19.914  13.407   9.036
  379    HB3  SER  50           HB1      SER  50  20.320  15.117   8.927
  380    HG   SER  50           HG       SER  50  18.764  15.589  10.363
  381    H    GLU  51           HN       GLU  51  18.416  12.725   6.066
  382    HA   GLU  51           HA       GLU  51  20.571  13.853   4.361
  383    HB2  GLU  51           HB2      GLU  51  19.704  10.976   4.750
  384    HB3  GLU  51           HB1      GLU  51  20.896  11.517   3.569
  385    HG2  GLU  51           HG2      GLU  51  22.235  10.880   5.389
  386    HG3  GLU  51           HG1      GLU  51  22.090  12.619   5.619
  387    H    PHE  52           HN       PHE  52  20.318  13.746   2.153
  388    HA   PHE  52           HA       PHE  52  17.512  13.741   1.233
  389    HB2  PHE  52           HB2      PHE  52  18.765  14.895  -0.843
  390    HB3  PHE  52           HB1      PHE  52  18.294  15.818   0.585
  391    HD1  PHE  52           HD2      PHE  52  19.941  15.780   2.523
  392    HD2  PHE  52           HD1      PHE  52  21.019  14.969  -1.513
  393    HE1  PHE  52           HE2      PHE  52  22.316  16.392   3.057
  394    HE2  PHE  52           HE1      PHE  52  23.388  15.573  -1.030
  395    HZ   PHE  52           HZ       PHE  52  24.039  16.287   1.261
  396    H    PHE  53           HN       PHE  53  16.838  12.427  -0.173
  397    HA   PHE  53           HA       PHE  53  18.548  10.243  -1.038
  398    HB2  PHE  53           HB2      PHE  53  15.688  10.401  -1.927
  399    HB3  PHE  53           HB1      PHE  53  16.648   8.996  -1.454
  400    HD1  PHE  53           HD1      PHE  53  14.933  12.011  -0.187
  401    HD2  PHE  53           HD2      PHE  53  16.773   8.290   0.805
  402    HE1  PHE  53           HE1      PHE  53  14.043  12.209   2.106
  403    HE2  PHE  53           HE2      PHE  53  15.911   8.499   3.095
  404    HZ   PHE  53           HZ       PHE  53  14.532  10.433   3.760
  405    HA   PRO  54           HA       PRO  54  19.198  11.892  -5.130
  406    HB2  PRO  54           HB2      PRO  54  19.915   9.641  -6.488
  407    HB3  PRO  54           HB1      PRO  54  20.955  10.383  -5.256
  408    HG2  PRO  54           HG2      PRO  54  19.158   8.008  -5.031
  409    HG3  PRO  54           HG1      PRO  54  20.782   8.260  -4.367
  410    HD2  PRO  54           HD2      PRO  54  18.469   8.547  -2.883
  411    HD3  PRO  54           HD1      PRO  54  19.997   9.381  -2.516
  412    H    THR  55           HN       THR  55  16.605   9.882  -4.386
  413    HA   THR  55           HA       THR  55  15.334  10.412  -7.008
  414    HB   THR  55           HB       THR  55  14.192   8.060  -6.497
  415    HG1  THR  55           HG1      THR  55  16.297   8.244  -4.773
  416   HG21  THR  55          HG21      THR  55  16.079   6.950  -7.770
  417   HG22  THR  55          HG22      THR  55  16.952   8.478  -7.660
  418   HG23  THR  55          HG23      THR  55  15.417   8.399  -8.526
  419    H    LEU  56           HN       LEU  56  13.077  10.518  -6.980
  420    HA   LEU  56           HA       LEU  56  12.057  11.885  -4.724
  421    HB2  LEU  56           HB2      LEU  56  11.322  11.647  -7.381
  422    HB3  LEU  56           HB1      LEU  56  10.004  10.825  -6.553
  423    HG   LEU  56           HG       LEU  56  11.013  13.586  -5.813
  424   HD11  LEU  56          HD11      LEU  56   9.041  14.422  -6.927
  425   HD12  LEU  56          HD12      LEU  56   8.572  12.782  -7.379
  426   HD13  LEU  56          HD13      LEU  56  10.032  13.502  -8.057
  427   HD21  LEU  56          HD21      LEU  56   9.872  12.216  -4.023
  428   HD22  LEU  56          HD22      LEU  56   8.457  12.129  -5.068
  429   HD23  LEU  56          HD23      LEU  56   9.000  13.686  -4.448
  430    H    LYS  57           HN       LYS  57  10.759   8.824  -6.141
  431    HA   LYS  57           HA       LYS  57   9.104   8.167  -4.070
  432    HB2  LYS  57           HB2      LYS  57   9.526   5.772  -4.868
  433    HB3  LYS  57           HB1      LYS  57   8.993   6.924  -6.094
  434    HG2  LYS  57           HG2      LYS  57  11.285   7.245  -6.861
  435    HG3  LYS  57           HG1      LYS  57  11.897   6.228  -5.561
  436    HD2  LYS  57           HD2      LYS  57  11.838   4.831  -7.499
  437    HD3  LYS  57           HD1      LYS  57  10.461   4.352  -6.509
  438    HE2  LYS  57           HE2      LYS  57   8.913   5.453  -7.919
  439    HE3  LYS  57           HE1      LYS  57  10.170   6.409  -8.703
  440    HZ1  LYS  57           HZ1      LYS  57  10.612   4.778 -10.127
  441    HZ2  LYS  57           HZ2      LYS  57   9.141   4.084  -9.637
  442    HZ3  LYS  57           HZ3      LYS  57  10.599   3.584  -8.922
  443    H    SER  58           HN       SER  58  12.574   7.688  -4.330
  444    HA   SER  58           HA       SER  58  12.939   5.883  -2.226
  445    HB2  SER  58           HB2      SER  58  14.680   8.082  -3.322
  446    HB3  SER  58           HB1      SER  58  15.220   7.010  -2.032
  447    HG   SER  58           HG       SER  58  15.253   5.365  -3.396
  448    H    ALA  59           HN       ALA  59  12.442   9.371  -2.228
  449    HA   ALA  59           HA       ALA  59  13.044   9.745   0.536
  450    HB1  ALA  59           HB1      ALA  59  12.290  11.964   0.223
  451    HB2  ALA  59           HB2      ALA  59  11.252  11.497  -1.125
  452    HB3  ALA  59           HB3      ALA  59  12.996  11.502  -1.324
  453    H    GLU  60           HN       GLU  60  10.047   9.216  -1.273
  454    HA   GLU  60           HA       GLU  60   8.231   9.594   0.868
  455    HB2  GLU  60           HB2      GLU  60   8.057   7.924  -1.649
  456    HB3  GLU  60           HB1      GLU  60   6.707   8.171  -0.542
  457    HG2  GLU  60           HG2      GLU  60   6.819  10.581  -0.874
  458    HG3  GLU  60           HG1      GLU  60   8.252  10.407  -1.887
  459    H    HIS  61           HN       HIS  61   9.991   6.731  -0.291
  460    HA   HIS  61           HA       HIS  61   8.729   4.869   1.432
  461    HB2  HIS  61           HB2      HIS  61   9.988   3.425   0.199
  462    HB3  HIS  61           HB1      HIS  61  10.728   4.815  -0.589
  463    HD2  HIS  61           HD2      HIS  61  13.463   4.885  -0.170
  464    HE1  HIS  61           HE1      HIS  61  13.571   2.762   3.478
  465    HE2  HIS  61           HE2      HIS  61  14.989   3.927   1.722
  466    H    ALA  62           HN       ALA  62  11.821   6.599   1.708
  467    HA   ALA  62           HA       ALA  62  12.486   5.592   4.262
  468    HB1  ALA  62           HB1      ALA  62  13.403   8.249   3.167
  469    HB2  ALA  62           HB2      ALA  62  14.037   6.715   2.570
  470    HB3  ALA  62           HB3      ALA  62  14.259   7.163   4.262
  471    H    ALA  63           HN       ALA  63  10.674   8.397   3.186
  472    HA   ALA  63           HA       ALA  63  10.539   9.810   5.604
  473    HB1  ALA  63           HB1      ALA  63   9.783  10.812   3.532
  474    HB2  ALA  63           HB2      ALA  63   8.433  10.769   4.667
  475    HB3  ALA  63           HB3      ALA  63   8.522   9.589   3.359
  476    H    ALA  64           HN       ALA  64   8.332   7.346   4.277
  477    HA   ALA  64           HA       ALA  64   6.613   7.335   6.541
  478    HB1  ALA  64           HB1      ALA  64   7.018   5.485   4.211
  479    HB2  ALA  64           HB2      ALA  64   5.623   6.491   4.599
  480    HB3  ALA  64           HB3      ALA  64   5.946   5.034   5.539
  481    H    LYS  65           HN       LYS  65   9.543   5.562   5.706
  482    HA   LYS  65           HA       LYS  65   9.427   3.444   7.500
  483    HB2  LYS  65           HB2      LYS  65  11.169   3.799   5.757
  484    HB3  LYS  65           HB1      LYS  65  11.865   5.061   6.770
  485    HG2  LYS  65           HG2      LYS  65  12.261   3.456   8.567
  486    HG3  LYS  65           HG1      LYS  65  11.468   2.188   7.638
  487    HD2  LYS  65           HD2      LYS  65  13.783   1.826   7.269
  488    HD3  LYS  65           HD1      LYS  65  13.226   2.650   5.815
  489    HE2  LYS  65           HE2      LYS  65  14.138   4.750   6.551
  490    HE3  LYS  65           HE1      LYS  65  14.446   4.121   8.169
  491    HZ1  LYS  65           HZ1      LYS  65  16.022   2.554   7.198
  492    HZ2  LYS  65           HZ2      LYS  65  16.463   4.166   6.882
  493    HZ3  LYS  65           HZ3      LYS  65  15.749   3.221   5.662
  494    H    ILE  66           HN       ILE  66  10.663   6.743   8.064
  495    HA   ILE  66           HA       ILE  66  11.310   6.214  10.800
  496    HB   ILE  66           HB       ILE  66  11.528   8.725  10.892
  497   HG12  ILE  66          HG12      ILE  66  10.971   8.499   7.926
  498   HG13  ILE  66          HG11      ILE  66   9.826   9.144   9.100
  499   HG21  ILE  66          HG21      ILE  66  13.411   7.217  10.333
  500   HG22  ILE  66          HG22      ILE  66  13.525   8.750   9.467
  501   HG23  ILE  66          HG23      ILE  66  12.958   7.303   8.630
  502   HD11  ILE  66          HD11      ILE  66  10.920  11.057   8.238
  503   HD12  ILE  66          HD12      ILE  66  12.497  10.268   8.261
  504   HD13  ILE  66          HD13      ILE  66  11.734  10.759   9.773
  505    H    ALA  67           HN       ALA  67   8.534   7.490   9.080
  506    HA   ALA  67           HA       ALA  67   7.163   8.517  11.359
  507    HB1  ALA  67           HB1      ALA  67   5.946   7.554   8.770
  508    HB2  ALA  67           HB2      ALA  67   6.679   9.141   8.991
  509    HB3  ALA  67           HB3      ALA  67   5.247   8.697   9.914
  510    H    VAL  68           HN       VAL  68   6.778   5.494   9.538
  511    HA   VAL  68           HA       VAL  68   4.742   4.406  11.167
  512    HB   VAL  68           HB       VAL  68   5.332   3.628   8.848
  513   HG11  VAL  68          HG11      VAL  68   7.822   3.570   9.362
  514   HG12  VAL  68          HG12      VAL  68   7.192   2.169   8.504
  515   HG13  VAL  68          HG13      VAL  68   7.522   2.072  10.235
  516   HG21  VAL  68          HG21      VAL  68   3.889   2.303  10.340
  517   HG22  VAL  68          HG22      VAL  68   5.312   1.533  11.040
  518   HG23  VAL  68          HG23      VAL  68   4.898   1.248   9.349
  519    H    ALA  69           HN       ALA  69   8.239   4.435  11.395
  520    HA   ALA  69           HA       ALA  69   8.467   2.373  13.351
  521    HB1  ALA  69           HB1      ALA  69  10.299   4.638  12.543
  522    HB2  ALA  69           HB2      ALA  69  10.413   2.939  12.080
  523    HB3  ALA  69           HB3      ALA  69  10.733   3.423  13.745
  524    H    SER  70           HN       SER  70   7.798   5.795  13.465
  525    HA   SER  70           HA       SER  70   8.338   6.188  16.237
  526    HB2  SER  70           HB2      SER  70   8.261   8.133  14.881
  527    HB3  SER  70           HB1      SER  70   6.684   7.709  14.224
  528    HG   SER  70           HG       SER  70   6.060   7.800  16.589
  529    H    LEU  71           HN       LEU  71   5.416   5.406  14.406
  530    HA   LEU  71           HA       LEU  71   3.618   5.485  16.599
  531    HB2  LEU  71           HB2      LEU  71   3.358   3.822  14.086
  532    HB3  LEU  71           HB1      LEU  71   2.056   4.361  15.147
  533    HG   LEU  71           HG       LEU  71   3.886   6.175  13.549
  534   HD11  LEU  71          HD11      LEU  71   2.003   6.576  12.119
  535   HD12  LEU  71          HD12      LEU  71   0.922   5.679  13.186
  536   HD13  LEU  71          HD13      LEU  71   2.161   4.826  12.264
  537   HD21  LEU  71          HD21      LEU  71   1.697   6.674  15.568
  538   HD22  LEU  71          HD22      LEU  71   1.989   7.845  14.281
  539   HD23  LEU  71          HD23      LEU  71   3.273   7.454  15.423
  540    H    THR  72           HN       THR  72   5.783   3.047  15.369
  541    HA   THR  72           HA       THR  72   4.635   0.859  16.832
  542    HB   THR  72           HB       THR  72   6.848  -0.248  16.268
  543    HG1  THR  72           HG1      THR  72   8.316   1.212  15.873
  544   HG21  THR  72          HG21      THR  72   6.349  -0.189  13.773
  545   HG22  THR  72          HG22      THR  72   5.108   1.010  14.139
  546   HG23  THR  72          HG23      THR  72   4.989  -0.616  14.811
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  12.885   0.492  -5.970
    2    H2   MET   1           HT2      MET   1  14.391   1.279  -5.927
    3    H3   MET   1           HT3      MET   1  13.087   1.882  -5.020
    4    HA   MET   1           HA       MET   1  14.480  -0.703  -4.583
    5    HB2  MET   1           HB2      MET   1  14.357   1.817  -2.895
    6    HB3  MET   1           HB1      MET   1  15.244   0.343  -2.505
    7    HG2  MET   1           HG2      MET   1  16.887   1.756  -3.442
    8    HG3  MET   1           HG1      MET   1  16.439   0.692  -4.775
    9    HE1  MET   1           HE1      MET   1  17.233   3.944  -6.510
   10    HE2  MET   1           HE2      MET   1  17.928   2.624  -5.572
   11    HE3  MET   1           HE3      MET   1  17.612   4.175  -4.797
   12    H    ASP   2           HN       ASP   2  13.716  -0.138  -1.710
   13    HA   ASP   2           HA       ASP   2  11.320  -1.675  -1.663
   14    HB2  ASP   2           HB2      ASP   2  12.795  -0.147   0.488
   15    HB3  ASP   2           HB1      ASP   2  11.380  -1.151   0.801
   16    H    HIS   3           HN       HIS   3   9.225  -1.086  -1.247
   17    HA   HIS   3           HA       HIS   3   8.557   1.706  -0.708
   18    HB2  HIS   3           HB2      HIS   3   7.040   1.840  -2.661
   19    HB3  HIS   3           HB1      HIS   3   8.729   1.691  -3.144
   20    HD2  HIS   3           HD2      HIS   3   5.443  -0.479  -3.178
   21    HE1  HIS   3           HE1      HIS   3   8.399  -2.519  -5.395
   22    HE2  HIS   3           HE2      HIS   3   5.948  -2.513  -4.735
   23    H    VAL   4           HN       VAL   4   8.254  -0.768   0.772
   24    HA   VAL   4           HA       VAL   4   5.458  -1.508   0.554
   25    HB   VAL   4           HB       VAL   4   5.996  -3.003   2.428
   26   HG11  VAL   4          HG11      VAL   4   7.916  -2.971   0.100
   27   HG12  VAL   4          HG12      VAL   4   6.415  -3.886   0.241
   28   HG13  VAL   4          HG13      VAL   4   7.808  -4.318   1.233
   29   HG21  VAL   4          HG21      VAL   4   8.732  -1.721   2.257
   30   HG22  VAL   4          HG22      VAL   4   8.333  -3.127   3.243
   31   HG23  VAL   4          HG23      VAL   4   7.609  -1.559   3.607
   32    H    TYR   5           HN       TYR   5   7.365   0.832   2.200
   33    HA   TYR   5           HA       TYR   5   6.004   1.113   4.616
   34    HB2  TYR   5           HB2      TYR   5   7.091   3.425   3.008
   35    HB3  TYR   5           HB1      TYR   5   7.020   3.242   4.763
   36    HD1  TYR   5           HD1      TYR   5   8.669   2.017   1.677
   37    HD2  TYR   5           HD2      TYR   5   8.702   2.049   5.961
   38    HE1  TYR   5           HE1      TYR   5  10.920   0.978   1.666
   39    HE2  TYR   5           HE2      TYR   5  10.941   0.999   5.960
   40    HH   TYR   5           HH       TYR   5  12.607   0.238   2.892
   41    H    LYS   6           HN       LYS   6   5.356   2.565   1.442
   42    HA   LYS   6           HA       LYS   6   3.241   4.237   2.201
   43    HB2  LYS   6           HB2      LYS   6   4.378   4.297  -0.013
   44    HB3  LYS   6           HB1      LYS   6   3.575   2.786  -0.438
   45    HG2  LYS   6           HG2      LYS   6   1.380   3.849  -0.163
   46    HG3  LYS   6           HG1      LYS   6   2.156   5.354   0.327
   47    HD2  LYS   6           HD2      LYS   6   3.269   5.497  -1.872
   48    HD3  LYS   6           HD1      LYS   6   2.483   3.996  -2.365
   49    HE2  LYS   6           HE2      LYS   6   1.224   5.917  -3.224
   50    HE3  LYS   6           HE1      LYS   6   0.268   5.063  -2.012
   51    HZ1  LYS   6           HZ1      LYS   6   0.210   7.450  -1.658
   52    HZ2  LYS   6           HZ2      LYS   6   1.905   7.496  -1.530
   53    HZ3  LYS   6           HZ3      LYS   6   0.983   6.675  -0.362
   54    H    GLY   7           HN       GLY   7   3.307   0.814   1.357
   55    HA2  GLY   7           HA2      GLY   7   0.437   0.526   1.384
   56    HA3  GLY   7           HA1      GLY   7   1.620  -0.772   1.277
   57    H    GLN   8           HN       GLN   8   3.026   0.310   3.701
   58    HA   GLN   8           HA       GLN   8   1.515  -1.185   5.649
   59    HB2  GLN   8           HB2      GLN   8   4.144   0.275   5.736
   60    HB3  GLN   8           HB1      GLN   8   3.441  -0.492   7.158
   61    HG2  GLN   8           HG2      GLN   8   3.905  -1.960   4.554
   62    HG3  GLN   8           HG1      GLN   8   5.084  -1.932   5.864
   63   HE21  GLN   8          HE21      GLN   8   3.002  -4.038   4.655
   64   HE22  GLN   8          HE22      GLN   8   2.362  -4.734   6.064
   65    H    LEU   9           HN       LEU   9   2.624   2.160   5.370
   66    HA   LEU   9           HA       LEU   9   1.351   3.117   7.682
   67    HB2  LEU   9           HB2      LEU   9   3.149   4.336   6.423
   68    HB3  LEU   9           HB1      LEU   9   1.954   4.677   5.176
   69    HG   LEU   9           HG       LEU   9   0.524   5.783   6.928
   70   HD11  LEU   9          HD11      LEU   9   2.878   4.978   8.624
   71   HD12  LEU   9          HD12      LEU   9   1.157   4.972   9.012
   72   HD13  LEU   9          HD13      LEU   9   2.044   6.486   8.993
   73   HD21  LEU   9          HD21      LEU   9   1.862   7.200   5.519
   74   HD22  LEU   9          HD22      LEU   9   3.321   6.825   6.437
   75   HD23  LEU   9          HD23      LEU   9   2.041   7.791   7.172
   76    H    GLN  10           HN       GLN  10   0.277   2.957   4.354
   77    HA   GLN  10           HA       GLN  10  -2.131   4.311   4.757
   78    HB2  GLN  10           HB2      GLN  10  -1.131   3.813   2.512
   79    HB3  GLN  10           HB1      GLN  10  -1.586   2.123   2.732
   80    HG2  GLN  10           HG2      GLN  10  -3.298   3.199   1.398
   81    HG3  GLN  10           HG1      GLN  10  -3.975   2.861   2.987
   82   HE21  GLN  10          HE21      GLN  10  -2.064   5.540   1.478
   83   HE22  GLN  10          HE22      GLN  10  -3.012   6.777   2.151
   84    H    ALA  11           HN       ALA  11  -1.294   0.903   5.002
   85    HA   ALA  11           HA       ALA  11  -3.944  -0.038   5.466
   86    HB1  ALA  11           HB1      ALA  11  -1.394  -1.352   6.406
   87    HB2  ALA  11           HB2      ALA  11  -1.948  -1.426   4.733
   88    HB3  ALA  11           HB3      ALA  11  -2.932  -2.123   6.021
   89    H    TYR  12           HN       TYR  12  -1.321   1.066   7.556
   90    HA   TYR  12           HA       TYR  12  -2.410   0.263  10.025
   91    HB2  TYR  12           HB2      TYR  12  -0.100   0.993   9.843
   92    HB3  TYR  12           HB1      TYR  12  -0.615   2.609   9.359
   93    HD1  TYR  12           HD1      TYR  12  -0.803   0.126  12.142
   94    HD2  TYR  12           HD2      TYR  12  -1.169   4.245  10.981
   95    HE1  TYR  12           HE1      TYR  12  -0.976   0.785  14.527
   96    HE2  TYR  12           HE2      TYR  12  -1.340   4.903  13.364
   97    HH   TYR  12           HH       TYR  12  -1.109   4.199  15.485
   98    H    ALA  13           HN       ALA  13  -2.649   3.395   8.322
   99    HA   ALA  13           HA       ALA  13  -4.250   4.711  10.193
  100    HB1  ALA  13           HB1      ALA  13  -4.495   6.359   8.580
  101    HB2  ALA  13           HB2      ALA  13  -4.711   5.199   7.267
  102    HB3  ALA  13           HB3      ALA  13  -3.105   5.498   7.919
  103    H    LEU  14           HN       LEU  14  -5.201   2.775   7.362
  104    HA   LEU  14           HA       LEU  14  -7.974   3.099   7.656
  105    HB2  LEU  14           HB2      LEU  14  -6.952   2.199   5.607
  106    HB3  LEU  14           HB1      LEU  14  -6.438   0.761   6.484
  107    HG   LEU  14           HG       LEU  14  -8.852   0.277   7.009
  108   HD11  LEU  14          HD11      LEU  14  -9.182   2.805   5.399
  109   HD12  LEU  14          HD12      LEU  14  -9.993   2.313   6.886
  110   HD13  LEU  14          HD13      LEU  14 -10.438   1.570   5.358
  111   HD21  LEU  14          HD21      LEU  14  -7.974   0.512   4.133
  112   HD22  LEU  14          HD22      LEU  14  -9.470  -0.288   4.615
  113   HD23  LEU  14          HD23      LEU  14  -7.919  -0.911   5.176
  114    H    GLN  15           HN       GLN  15  -5.783   0.584   8.885
  115    HA   GLN  15           HA       GLN  15  -7.795  -0.978  10.116
  116    HB2  GLN  15           HB2      GLN  15  -5.496  -1.791   9.596
  117    HB3  GLN  15           HB1      GLN  15  -4.875  -0.767  10.889
  118    HG2  GLN  15           HG2      GLN  15  -6.289  -1.955  12.523
  119    HG3  GLN  15           HG1      GLN  15  -6.924  -2.974  11.233
  120   HE21  GLN  15          HE21      GLN  15  -6.006  -4.995  11.795
  121   HE22  GLN  15          HE22      GLN  15  -4.335  -5.259  11.939
  122    H    HIS  16           HN       HIS  16  -5.710   1.622  11.314
  123    HA   HIS  16           HA       HIS  16  -6.874   1.485  13.978
  124    HB2  HIS  16           HB2      HIS  16  -4.439   2.017  13.523
  125    HB3  HIS  16           HB1      HIS  16  -4.978   3.574  12.899
  126    HD2  HIS  16           HD2      HIS  16  -4.317   1.876  16.309
  127    HE1  HIS  16           HE1      HIS  16  -6.229   5.550  17.124
  128    HE2  HIS  16           HE2      HIS  16  -4.991   3.590  18.159
  129    H    ASN  17           HN       ASN  17  -7.791   2.788  11.064
  130    HA   ASN  17           HA       ASN  17  -9.378   4.330  10.452
  131    HB2  ASN  17           HB2      ASN  17 -10.603   3.099  12.325
  132    HB3  ASN  17           HB1      ASN  17 -10.160   4.453  13.361
  133   HD21  ASN  17          HD21      ASN  17 -12.903   3.854  12.701
  134   HD22  ASN  17          HD22      ASN  17 -13.502   5.134  11.761
  135    H    LEU  18           HN       LEU  18  -7.227   5.610  10.298
  136    HA   LEU  18           HA       LEU  18  -7.503   8.081  11.930
  137    HB2  LEU  18           HB2      LEU  18  -4.944   6.824  10.907
  138    HB3  LEU  18           HB1      LEU  18  -5.070   8.335  11.800
  139    HG   LEU  18           HG       LEU  18  -6.059   5.676  12.869
  140   HD11  LEU  18          HD11      LEU  18  -4.012   5.733  14.290
  141   HD12  LEU  18          HD12      LEU  18  -3.440   7.123  13.366
  142   HD13  LEU  18          HD13      LEU  18  -3.636   5.559  12.576
  143   HD21  LEU  18          HD21      LEU  18  -5.715   7.102  15.057
  144   HD22  LEU  18          HD22      LEU  18  -7.157   7.354  14.088
  145   HD23  LEU  18          HD23      LEU  18  -5.806   8.481  13.966
  146    H    GLU  19           HN       GLU  19  -7.173  10.030  10.871
  147    HA   GLU  19           HA       GLU  19  -8.104  10.364   8.327
  148    HB2  GLU  19           HB2      GLU  19  -6.019  12.036   9.757
  149    HB3  GLU  19           HB1      GLU  19  -6.909  12.550   8.323
  150    HG2  GLU  19           HG2      GLU  19  -8.206  11.715  10.932
  151    HG3  GLU  19           HG1      GLU  19  -7.921  13.387  10.453
  152    H    LEU  20           HN       LEU  20  -7.347  10.156   6.318
  153    HA   LEU  20           HA       LEU  20  -5.314   8.517   5.638
  154    HB2  LEU  20           HB2      LEU  20  -6.056  10.893   3.940
  155    HB3  LEU  20           HB1      LEU  20  -5.482   9.318   3.393
  156    HG   LEU  20           HG       LEU  20  -8.127   9.917   4.741
  157   HD11  LEU  20          HD11      LEU  20  -7.868  10.407   2.278
  158   HD12  LEU  20          HD12      LEU  20  -9.099   9.201   2.656
  159   HD13  LEU  20          HD13      LEU  20  -7.526   8.694   2.039
  160   HD21  LEU  20          HD21      LEU  20  -7.507   7.815   5.632
  161   HD22  LEU  20          HD22      LEU  20  -6.706   7.318   4.139
  162   HD23  LEU  20          HD23      LEU  20  -8.466   7.389   4.217
  163    HA   PRO  21           HA       PRO  21  -1.601  10.799   6.464
  164    HB2  PRO  21           HB2      PRO  21   0.164   9.398   4.920
  165    HB3  PRO  21           HB1      PRO  21  -0.548   8.714   6.385
  166    HG2  PRO  21           HG2      PRO  21  -1.336   8.274   3.536
  167    HG3  PRO  21           HG1      PRO  21  -1.180   7.099   4.859
  168    HD2  PRO  21           HD2      PRO  21  -3.588   8.115   4.076
  169    HD3  PRO  21           HD1      PRO  21  -3.242   7.611   5.749
  170    H    VAL  22           HN       VAL  22  -0.129  12.271   5.526
  171    HA   VAL  22           HA       VAL  22  -0.641  12.999   2.692
  172    HB   VAL  22           HB       VAL  22  -0.509  14.836   5.093
  173   HG11  VAL  22          HG11      VAL  22  -0.247  15.397   2.136
  174   HG12  VAL  22          HG12      VAL  22   0.804  15.937   3.445
  175   HG13  VAL  22          HG13      VAL  22  -0.807  16.629   3.267
  176   HG21  VAL  22          HG21      VAL  22  -2.587  14.304   2.953
  177   HG22  VAL  22          HG22      VAL  22  -2.700  15.599   4.147
  178   HG23  VAL  22          HG23      VAL  22  -2.717  13.913   4.668
  179    H    TYR  23           HN       TYR  23   1.121  13.298   1.528
  180    HA   TYR  23           HA       TYR  23   3.754  13.321   2.856
  181    HB2  TYR  23           HB2      TYR  23   2.913  12.361   0.146
  182    HB3  TYR  23           HB1      TYR  23   4.587  12.535   0.664
  183    HD1  TYR  23           HD1      TYR  23   1.360  11.018   1.819
  184    HD2  TYR  23           HD2      TYR  23   5.616  10.745   1.699
  185    HE1  TYR  23           HE1      TYR  23   1.242   8.836   2.959
  186    HE2  TYR  23           HE2      TYR  23   5.535   8.534   2.836
  187    HH   TYR  23           HH       TYR  23   3.882   7.347   4.387
  188    H    ALA  24           HN       ALA  24   5.400  14.642   2.042
  189    HA   ALA  24           HA       ALA  24   4.435  17.011   0.507
  190    HB1  ALA  24           HB1      ALA  24   5.670  18.440   1.827
  191    HB2  ALA  24           HB2      ALA  24   6.819  17.190   2.306
  192    HB3  ALA  24           HB3      ALA  24   5.208  17.227   3.020
  193    H    ASN  25           HN       ASN  25   5.653  17.699  -1.200
  194    HA   ASN  25           HA       ASN  25   8.023  16.038  -1.897
  195    HB2  ASN  25           HB2      ASN  25   5.939  17.285  -3.721
  196    HB3  ASN  25           HB1      ASN  25   7.375  16.415  -4.257
  197   HD21  ASN  25          HD21      ASN  25   4.178  15.903  -4.033
  198   HD22  ASN  25          HD22      ASN  25   4.149  14.262  -3.599
  199    H    GLU  26           HN       GLU  26   9.860  17.085  -2.077
  200    HA   GLU  26           HA       GLU  26   9.833  19.930  -2.937
  201    HB2  GLU  26           HB2      GLU  26  11.366  18.813  -0.594
  202    HB3  GLU  26           HB1      GLU  26  11.636  20.398  -1.294
  203    HG2  GLU  26           HG2      GLU  26   9.349  21.062  -0.800
  204    HG3  GLU  26           HG1      GLU  26   8.974  19.445  -0.208
  205    H    ARG  27           HN       ARG  27  11.154  20.247  -4.617
  206    HA   ARG  27           HA       ARG  27  13.465  18.421  -4.979
  207    HB2  ARG  27           HB2      ARG  27  11.567  17.809  -6.485
  208    HB3  ARG  27           HB1      ARG  27  11.646  19.427  -7.183
  209    HG2  ARG  27           HG2      ARG  27  14.038  19.004  -7.786
  210    HG3  ARG  27           HG1      ARG  27  13.864  17.359  -7.177
  211    HD2  ARG  27           HD2      ARG  27  13.532  17.285  -9.562
  212    HD3  ARG  27           HD1      ARG  27  11.958  17.057  -8.804
  213    HE   ARG  27           HE       ARG  27  12.356  19.810  -9.309
  214   HH11  ARG  27          HH21      ARG  27  11.823  16.785 -10.904
  215   HH12  ARG  27          HH22      ARG  27  11.014  17.486 -12.264
  216   HH21  ARG  27          HH11      ARG  27  11.295  20.738 -11.092
  217   HH22  ARG  27          HH12      ARG  27  10.715  19.726 -12.370
  218    H    GLU  28           HN       GLU  28  15.299  19.544  -4.962
  219    HA   GLU  28           HA       GLU  28  15.540  21.937  -6.554
  220    HB2  GLU  28           HB2      GLU  28  14.594  22.840  -4.453
  221    HB3  GLU  28           HB1      GLU  28  15.934  22.121  -3.560
  222    HG2  GLU  28           HG2      GLU  28  17.542  23.479  -4.794
  223    HG3  GLU  28           HG1      GLU  28  16.254  24.137  -5.803
  224    H    GLY  29           HN       GLY  29  17.587  22.089  -7.316
  225    HA2  GLY  29           HA2      GLY  29  19.956  21.892  -6.294
  226    HA3  GLY  29           HA1      GLY  29  19.580  20.185  -6.283
  227    HA   PRO  30           HA       PRO  30  21.239  22.014 -10.518
  228    HB2  PRO  30           HB2      PRO  30  23.489  20.198  -9.695
  229    HB3  PRO  30           HB1      PRO  30  23.563  21.736 -10.562
  230    HG2  PRO  30           HG2      PRO  30  24.187  21.536  -7.964
  231    HG3  PRO  30           HG1      PRO  30  23.469  22.992  -8.672
  232    HD2  PRO  30           HD2      PRO  30  22.238  21.017  -6.843
  233    HD3  PRO  30           HD1      PRO  30  21.776  22.699  -7.195
  234    HA   PRO  31           HA       PRO  31  19.740  18.382 -12.558
  235    HB2  PRO  31           HB2      PRO  31  21.563  18.174 -14.683
  236    HB3  PRO  31           HB1      PRO  31  20.145  19.238 -14.654
  237    HG2  PRO  31           HG2      PRO  31  22.999  19.873 -14.047
  238    HG3  PRO  31           HG1      PRO  31  21.792  20.834 -14.922
  239    HD2  PRO  31           HD2      PRO  31  22.443  21.415 -12.410
  240    HD3  PRO  31           HD1      PRO  31  20.769  21.583 -12.958
  241    H    HIS  32           HN       HIS  32  23.290  18.456 -12.281
  242    HA   HIS  32           HA       HIS  32  23.433  15.543 -12.154
  243    HB2  HIS  32           HB2      HIS  32  25.158  16.984 -13.331
  244    HB3  HIS  32           HB1      HIS  32  25.676  17.526 -11.735
  245    HD2  HIS  32           HD2      HIS  32  26.065  14.430 -14.045
  246    HE1  HIS  32           HE1      HIS  32  27.858  13.458 -10.348
  247    HE2  HIS  32           HE2      HIS  32  27.547  12.711 -12.756
  248    H    ALA  33           HN       ALA  33  22.601  17.885 -10.045
  249    HA   ALA  33           HA       ALA  33  23.379  16.234  -7.726
  250    HB1  ALA  33           HB1      ALA  33  23.651  19.227  -7.582
  251    HB2  ALA  33           HB2      ALA  33  24.992  18.208  -8.107
  252    HB3  ALA  33           HB3      ALA  33  24.305  18.001  -6.495
  253    HA   PRO  34           HA       PRO  34  19.045  17.916  -7.549
  254    HB2  PRO  34           HB2      PRO  34  17.636  15.658  -8.070
  255    HB3  PRO  34           HB1      PRO  34  18.285  16.685  -9.367
  256    HG2  PRO  34           HG2      PRO  34  19.316  14.092  -8.308
  257    HG3  PRO  34           HG1      PRO  34  19.297  14.707  -9.971
  258    HD2  PRO  34           HD2      PRO  34  21.523  14.770  -8.270
  259    HD3  PRO  34           HD1      PRO  34  21.313  15.775  -9.719
  260    H    ARG  35           HN       ARG  35  17.744  17.808  -5.725
  261    HA   ARG  35           HA       ARG  35  18.334  15.655  -3.771
  262    HB2  ARG  35           HB2      ARG  35  18.019  18.604  -3.200
  263    HB3  ARG  35           HB1      ARG  35  18.158  17.340  -1.982
  264    HG2  ARG  35           HG2      ARG  35  20.368  16.715  -2.852
  265    HG3  ARG  35           HG1      ARG  35  20.233  17.950  -4.104
  266    HD2  ARG  35           HD2      ARG  35  20.110  19.702  -2.390
  267    HD3  ARG  35           HD1      ARG  35  20.198  18.484  -1.120
  268    HE   ARG  35           HE       ARG  35  22.434  18.115  -2.749
  269   HH11  ARG  35          HH21      ARG  35  21.038  20.553  -0.729
  270   HH12  ARG  35          HH22      ARG  35  22.558  21.244  -0.276
  271   HH21  ARG  35          HH11      ARG  35  24.433  19.016  -2.159
  272   HH22  ARG  35          HH12      ARG  35  24.482  20.374  -1.085
  273    H    PHE  36           HN       PHE  36  16.591  14.604  -3.073
  274    HA   PHE  36           HA       PHE  36  13.948  15.929  -3.477
  275    HB2  PHE  36           HB2      PHE  36  14.604  12.972  -3.377
  276    HB3  PHE  36           HB1      PHE  36  13.022  13.695  -3.671
  277    HD1  PHE  36           HD2      PHE  36  12.624  15.016  -5.720
  278    HD2  PHE  36           HD1      PHE  36  16.274  12.885  -5.104
  279    HE1  PHE  36           HE2      PHE  36  13.126  15.179  -8.143
  280    HE2  PHE  36           HE1      PHE  36  16.807  13.084  -7.479
  281    HZ   PHE  36           HZ       PHE  36  15.243  14.229  -9.044
  282    H    ARG  37           HN       ARG  37  13.513  16.835  -1.550
  283    HA   ARG  37           HA       ARG  37  13.796  15.159   0.891
  284    HB2  ARG  37           HB2      ARG  37  13.301  18.148   0.552
  285    HB3  ARG  37           HB1      ARG  37  13.415  17.313   2.101
  286    HG2  ARG  37           HG2      ARG  37  15.698  16.637   1.629
  287    HG3  ARG  37           HG1      ARG  37  15.601  17.317   0.004
  288    HD2  ARG  37           HD2      ARG  37  16.758  18.913   1.403
  289    HD3  ARG  37           HD1      ARG  37  15.163  19.559   1.043
  290    HE   ARG  37           HE       ARG  37  14.568  19.278   3.294
  291   HH11  ARG  37          HH21      ARG  37  17.615  17.814   2.543
  292   HH12  ARG  37          HH22      ARG  37  18.050  17.545   4.196
  293   HH21  ARG  37          HH11      ARG  37  15.136  18.928   5.466
  294   HH22  ARG  37          HH12      ARG  37  16.647  18.176   5.852
  295    H    CYS  38           HN       CYS  38  12.024  13.931   1.069
  296    HA   CYS  38           HA       CYS  38   9.366  15.186   0.695
  297    HB2  CYS  38           HB2      CYS  38   9.793  13.226  -0.724
  298    HB3  CYS  38           HB1      CYS  38  10.119  12.258   0.716
  299    HG   CYS  38           HG       CYS  38   7.659  12.372   1.374
  300    H    ASN  39           HN       ASN  39   8.117  15.517   2.407
  301    HA   ASN  39           HA       ASN  39   8.895  14.256   4.989
  302    HB2  ASN  39           HB2      ASN  39   7.226  16.736   4.540
  303    HB3  ASN  39           HB1      ASN  39   7.813  16.111   6.074
  304   HD21  ASN  39          HD21      ASN  39   8.456  18.556   4.035
  305   HD22  ASN  39          HD22      ASN  39  10.141  18.663   4.195
  306    H    VAL  40           HN       VAL  40   7.250  13.449   6.358
  307    HA   VAL  40           HA       VAL  40   4.696  12.804   4.971
  308    HB   VAL  40           HB       VAL  40   5.981  10.784   5.116
  309   HG11  VAL  40          HG11      VAL  40   7.541  11.726   6.922
  310   HG12  VAL  40          HG12      VAL  40   7.096  10.035   7.100
  311   HG13  VAL  40          HG13      VAL  40   6.309  11.257   8.088
  312   HG21  VAL  40          HG21      VAL  40   3.519  10.850   5.934
  313   HG22  VAL  40          HG22      VAL  40   4.196  10.669   7.551
  314   HG23  VAL  40          HG23      VAL  40   4.477   9.424   6.333
  315    H    THR  41           HN       THR  41   3.021  13.697   5.900
  316    HA   THR  41           HA       THR  41   3.179  14.522   8.744
  317    HB   THR  41           HB       THR  41   1.239  15.263   6.555
  318    HG1  THR  41           HG1      THR  41   2.523  16.887   6.289
  319   HG21  THR  41          HG21      THR  41   1.367  15.988   9.485
  320   HG22  THR  41          HG22      THR  41   0.005  15.298   8.600
  321   HG23  THR  41          HG23      THR  41   0.496  16.967   8.303
  322    H    PHE  42           HN       PHE  42   2.343  13.224  10.231
  323    HA   PHE  42           HA       PHE  42  -0.182  11.831   9.640
  324    HB2  PHE  42           HB2      PHE  42   2.046  10.385   9.323
  325    HB3  PHE  42           HB1      PHE  42   1.980  10.286  11.080
  326    HD1  PHE  42           HD1      PHE  42  -0.411  10.096   8.207
  327    HD2  PHE  42           HD2      PHE  42   0.842   8.429  11.941
  328    HE1  PHE  42           HE1      PHE  42  -2.180   8.381   8.006
  329    HE2  PHE  42           HE2      PHE  42  -0.918   6.687  11.747
  330    HZ   PHE  42           HZ       PHE  42  -2.428   6.669   9.795
  331    H    CYS  43           HN       CYS  43  -1.540  11.770  11.352
  332    HA   CYS  43           HA       CYS  43  -2.408  12.356  13.390
  333    HB2  CYS  43           HB2      CYS  43  -1.096  10.343  14.011
  334    HB3  CYS  43           HB1      CYS  43   0.285  11.381  14.371
  335    HG   CYS  43           HG       CYS  43  -1.733  10.798  16.367
  336    H    GLY  44           HN       GLY  44  -1.035  14.434  11.919
  337    HA2  GLY  44           HA2      GLY  44  -0.537  16.665  12.270
  338    HA3  GLY  44           HA1      GLY  44  -0.901  16.413  13.974
  339    H    GLN  45           HN       GLN  45   1.489  14.589  12.158
  340    HA   GLN  45           HA       GLN  45   3.688  16.059  13.476
  341    HB2  GLN  45           HB2      GLN  45   3.257  13.073  13.586
  342    HB3  GLN  45           HB1      GLN  45   4.747  13.897  14.057
  343    HG2  GLN  45           HG2      GLN  45   3.516  15.194  15.739
  344    HG3  GLN  45           HG1      GLN  45   2.017  14.396  15.266
  345   HE21  GLN  45          HE21      GLN  45   4.556  14.228  17.483
  346   HE22  GLN  45          HE22      GLN  45   4.380  12.605  17.946
  347    H    THR  46           HN       THR  46   5.214  16.562  12.060
  348    HA   THR  46           HA       THR  46   5.303  15.092   9.496
  349    HB   THR  46           HB       THR  46   6.453  17.806  10.163
  350    HG1  THR  46           HG1      THR  46   4.227  17.433   8.526
  351   HG21  THR  46          HG21      THR  46   7.574  16.818   8.282
  352   HG22  THR  46          HG22      THR  46   6.417  17.982   7.635
  353   HG23  THR  46          HG23      THR  46   6.048  16.257   7.596
  354    H    PHE  47           HN       PHE  47   6.762  13.515   9.533
  355    HA   PHE  47           HA       PHE  47   9.273  13.881  11.004
  356    HB2  PHE  47           HB2      PHE  47   7.995  11.485   9.697
  357    HB3  PHE  47           HB1      PHE  47   9.632  11.465  10.355
  358    HD1  PHE  47           HD1      PHE  47   6.078  12.091  11.213
  359    HD2  PHE  47           HD2      PHE  47  10.018  11.310  12.705
  360    HE1  PHE  47           HE1      PHE  47   5.142  11.717  13.486
  361    HE2  PHE  47           HE2      PHE  47   9.096  10.953  14.976
  362    HZ   PHE  47           HZ       PHE  47   6.657  11.160  15.371
  363    H    GLN  48           HN       GLN  48  11.267  13.960  10.028
  364    HA   GLN  48           HA       GLN  48  11.452  13.668   7.108
  365    HB2  GLN  48           HB2      GLN  48  10.949  16.062   7.535
  366    HB3  GLN  48           HB1      GLN  48  12.375  16.155   8.568
  367    HG2  GLN  48           HG2      GLN  48  13.836  15.625   6.721
  368    HG3  GLN  48           HG1      GLN  48  12.462  15.277   5.671
  369   HE21  GLN  48          HE21      GLN  48  14.320  17.228   4.853
  370   HE22  GLN  48          HE22      GLN  48  13.601  18.762   4.951
  371    H    SER  49           HN       SER  49  13.517  13.183   6.373
  372    HA   SER  49           HA       SER  49  15.291  12.060   8.387
  373    HB2  SER  49           HB2      SER  49  16.296  10.891   6.639
  374    HB3  SER  49           HB1      SER  49  14.644  11.066   6.052
  375    HG   SER  49           HG       SER  49  15.438  13.039   5.014
  376    H    SER  50           HN       SER  50  17.630  12.473   8.302
  377    HA   SER  50           HA       SER  50  18.147  15.346   8.125
  378    HB2  SER  50           HB2      SER  50  20.242  14.815   9.262
  379    HB3  SER  50           HB1      SER  50  18.882  14.088  10.114
  380    HG   SER  50           HG       SER  50  20.899  12.905   8.577
  381    H    GLU  51           HN       GLU  51  18.368  12.707   6.089
  382    HA   GLU  51           HA       GLU  51  20.527  13.992   4.492
  383    HB2  GLU  51           HB2      GLU  51  19.871  11.059   4.826
  384    HB3  GLU  51           HB1      GLU  51  20.964  11.696   3.597
  385    HG2  GLU  51           HG2      GLU  51  22.400  12.661   5.325
  386    HG3  GLU  51           HG1      GLU  51  21.286  12.118   6.580
  387    H    PHE  52           HN       PHE  52  20.314  13.793   2.222
  388    HA   PHE  52           HA       PHE  52  17.482  13.717   1.339
  389    HB2  PHE  52           HB2      PHE  52  18.823  14.848  -0.763
  390    HB3  PHE  52           HB1      PHE  52  18.119  15.773   0.557
  391    HD1  PHE  52           HD2      PHE  52  19.615  15.889   2.706
  392    HD2  PHE  52           HD1      PHE  52  21.068  15.177  -1.230
  393    HE1  PHE  52           HE2      PHE  52  21.889  16.732   3.411
  394    HE2  PHE  52           HE1      PHE  52  23.331  16.000  -0.574
  395    HZ   PHE  52           HZ       PHE  52  23.738  16.772   1.750
  396    H    PHE  53           HN       PHE  53  16.860  12.444  -0.218
  397    HA   PHE  53           HA       PHE  53  18.635  10.289  -1.026
  398    HB2  PHE  53           HB2      PHE  53  15.791  10.312  -1.940
  399    HB3  PHE  53           HB1      PHE  53  16.787   8.963  -1.400
  400    HD1  PHE  53           HD1      PHE  53  14.953  11.968  -0.244
  401    HD2  PHE  53           HD2      PHE  53  16.869   8.316   0.891
  402    HE1  PHE  53           HE1      PHE  53  14.002  12.201   2.022
  403    HE2  PHE  53           HE2      PHE  53  15.938   8.567   3.147
  404    HZ   PHE  53           HZ       PHE  53  14.493  10.478   3.738
  405    HA   PRO  54           HA       PRO  54  19.239  11.931  -5.094
  406    HB2  PRO  54           HB2      PRO  54  19.997   9.687  -6.442
  407    HB3  PRO  54           HB1      PRO  54  21.018  10.448  -5.202
  408    HG2  PRO  54           HG2      PRO  54  19.258   8.043  -4.984
  409    HG3  PRO  54           HG1      PRO  54  20.870   8.326  -4.305
  410    HD2  PRO  54           HD2      PRO  54  18.540   8.581  -2.863
  411    HD3  PRO  54           HD1      PRO  54  20.055   9.427  -2.473
  412    H    THR  55           HN       THR  55  16.700   9.868  -4.343
  413    HA   THR  55           HA       THR  55  15.435  10.321  -6.994
  414    HB   THR  55           HB       THR  55  15.414   7.783  -5.348
  415    HG1  THR  55           HG1      THR  55  16.167   8.261  -8.022
  416   HG21  THR  55          HG21      THR  55  13.740   8.672  -7.690
  417   HG22  THR  55          HG22      THR  55  13.181   8.058  -6.133
  418   HG23  THR  55          HG23      THR  55  13.957   6.970  -7.283
  419    H    LEU  56           HN       LEU  56  13.175  10.434  -6.976
  420    HA   LEU  56           HA       LEU  56  12.145  11.870  -4.753
  421    HB2  LEU  56           HB2      LEU  56  11.462  11.738  -7.364
  422    HB3  LEU  56           HB1      LEU  56  10.195  10.725  -6.683
  423    HG   LEU  56           HG       LEU  56  10.881  13.534  -5.766
  424   HD11  LEU  56          HD11      LEU  56   9.819  13.665  -7.880
  425   HD12  LEU  56          HD12      LEU  56   8.573  13.990  -6.678
  426   HD13  LEU  56          HD13      LEU  56   8.660  12.409  -7.453
  427   HD21  LEU  56          HD21      LEU  56  10.024  12.332  -3.883
  428   HD22  LEU  56          HD22      LEU  56   8.845  11.476  -4.877
  429   HD23  LEU  56          HD23      LEU  56   8.635  13.195  -4.545
  430    H    LYS  57           HN       LYS  57  10.822   8.834  -6.158
  431    HA   LYS  57           HA       LYS  57   9.156   8.184  -4.115
  432    HB2  LYS  57           HB2      LYS  57  10.830   6.247  -5.748
  433    HB3  LYS  57           HB1      LYS  57   9.315   5.877  -4.931
  434    HG2  LYS  57           HG2      LYS  57   9.496   8.045  -7.026
  435    HG3  LYS  57           HG1      LYS  57   9.176   6.369  -7.456
  436    HD2  LYS  57           HD2      LYS  57   7.233   6.406  -5.854
  437    HD3  LYS  57           HD1      LYS  57   7.507   8.130  -5.634
  438    HE2  LYS  57           HE2      LYS  57   7.163   8.534  -8.012
  439    HE3  LYS  57           HE1      LYS  57   6.953   6.805  -8.290
  440    HZ1  LYS  57           HZ1      LYS  57   4.866   6.880  -7.565
  441    HZ2  LYS  57           HZ2      LYS  57   4.975   8.571  -7.693
  442    HZ3  LYS  57           HZ3      LYS  57   5.268   7.808  -6.203
  443    H    SER  58           HN       SER  58  12.616   7.575  -4.329
  444    HA   SER  58           HA       SER  58  12.913   5.829  -2.178
  445    HB2  SER  58           HB2      SER  58  15.219   6.702  -2.031
  446    HB3  SER  58           HB1      SER  58  14.743   6.368  -3.690
  447    HG   SER  58           HG       SER  58  14.606   8.904  -2.406
  448    H    ALA  59           HN       ALA  59  12.441   9.317  -2.234
  449    HA   ALA  59           HA       ALA  59  13.062   9.726   0.519
  450    HB1  ALA  59           HB1      ALA  59  13.018  11.463  -1.386
  451    HB2  ALA  59           HB2      ALA  59  12.367  11.959   0.173
  452    HB3  ALA  59           HB3      ALA  59  11.280  11.496  -1.138
  453    H    GLU  60           HN       GLU  60  10.079   9.202  -1.293
  454    HA   GLU  60           HA       GLU  60   8.274   9.628   0.862
  455    HB2  GLU  60           HB2      GLU  60   8.032   7.976  -1.667
  456    HB3  GLU  60           HB1      GLU  60   6.700   8.278  -0.551
  457    HG2  GLU  60           HG2      GLU  60   6.902  10.680  -0.892
  458    HG3  GLU  60           HG1      GLU  60   8.317  10.447  -1.916
  459    H    HIS  61           HN       HIS  61   9.950   6.738  -0.342
  460    HA   HIS  61           HA       HIS  61   8.643   4.902   1.392
  461    HB2  HIS  61           HB2      HIS  61  11.388   4.652   0.137
  462    HB3  HIS  61           HB1      HIS  61  10.374   3.338   0.732
  463    HD2  HIS  61           HD2      HIS  61  11.210   3.941  -2.592
  464    HE1  HIS  61           HE1      HIS  61   7.016   4.294  -2.907
  465    HE2  HIS  61           HE2      HIS  61   9.165   3.962  -4.216
  466    H    ALA  62           HN       ALA  62  11.760   6.602   1.580
  467    HA   ALA  62           HA       ALA  62  12.540   5.477   4.069
  468    HB1  ALA  62           HB1      ALA  62  13.419   8.152   2.979
  469    HB2  ALA  62           HB2      ALA  62  14.042   6.620   2.366
  470    HB3  ALA  62           HB3      ALA  62  14.310   7.072   4.051
  471    H    ALA  63           HN       ALA  63  10.826   8.437   3.172
  472    HA   ALA  63           HA       ALA  63  10.792   9.668   5.707
  473    HB1  ALA  63           HB1      ALA  63   8.810   9.787   3.412
  474    HB2  ALA  63           HB2      ALA  63  10.132  10.909   3.735
  475    HB3  ALA  63           HB3      ALA  63   8.746  10.841   4.825
  476    H    ALA  64           HN       ALA  64   8.393   7.492   4.175
  477    HA   ALA  64           HA       ALA  64   6.576   7.455   6.309
  478    HB1  ALA  64           HB1      ALA  64   7.199   5.470   4.128
  479    HB2  ALA  64           HB2      ALA  64   5.844   6.592   4.220
  480    HB3  ALA  64           HB3      ALA  64   5.912   5.203   5.304
  481    H    LYS  65           HN       LYS  65   9.483   5.543   5.684
  482    HA   LYS  65           HA       LYS  65   9.169   3.568   7.650
  483    HB2  LYS  65           HB2      LYS  65  10.955   3.592   5.909
  484    HB3  LYS  65           HB1      LYS  65  11.750   4.906   6.765
  485    HG2  LYS  65           HG2      LYS  65  11.990   3.495   8.761
  486    HG3  LYS  65           HG1      LYS  65  11.156   2.178   7.942
  487    HD2  LYS  65           HD2      LYS  65  12.944   2.138   6.219
  488    HD3  LYS  65           HD1      LYS  65  13.777   3.433   7.076
  489    HE2  LYS  65           HE2      LYS  65  13.997   2.010   9.064
  490    HE3  LYS  65           HE1      LYS  65  13.125   0.712   8.245
  491    HZ1  LYS  65           HZ1      LYS  65  15.605   0.542   8.188
  492    HZ2  LYS  65           HZ2      LYS  65  15.617   1.908   7.179
  493    HZ3  LYS  65           HZ3      LYS  65  14.849   0.482   6.672
  494    H    ILE  66           HN       ILE  66  10.747   6.802   7.874
  495    HA   ILE  66           HA       ILE  66  11.552   6.621  10.533
  496    HB   ILE  66           HB       ILE  66  10.623   9.074   8.999
  497   HG12  ILE  66          HG12      ILE  66  13.428   7.998   9.413
  498   HG13  ILE  66          HG11      ILE  66  12.476   7.685   7.961
  499   HG21  ILE  66          HG21      ILE  66  12.164  10.240  10.597
  500   HG22  ILE  66          HG22      ILE  66  12.283   8.735  11.508
  501   HG23  ILE  66          HG23      ILE  66  10.732   9.556  11.359
  502   HD11  ILE  66          HD11      ILE  66  12.395  10.009   7.400
  503   HD12  ILE  66          HD12      ILE  66  14.071   9.667   7.826
  504   HD13  ILE  66          HD13      ILE  66  13.020  10.483   8.979
  505    H    ALA  67           HN       ALA  67   8.507   7.878   9.174
  506    HA   ALA  67           HA       ALA  67   7.347   8.524  11.693
  507    HB1  ALA  67           HB1      ALA  67   6.067   7.967   9.009
  508    HB2  ALA  67           HB2      ALA  67   6.522   9.543   9.652
  509    HB3  ALA  67           HB3      ALA  67   5.219   8.627  10.408
  510    H    VAL  68           HN       VAL  68   7.042   5.705   9.550
  511    HA   VAL  68           HA       VAL  68   5.142   4.289  11.009
  512    HB   VAL  68           HB       VAL  68   7.367   3.431   9.154
  513   HG11  VAL  68          HG11      VAL  68   5.463   1.729  10.765
  514   HG12  VAL  68          HG12      VAL  68   7.200   1.525  10.526
  515   HG13  VAL  68          HG13      VAL  68   6.086   1.171   9.210
  516   HG21  VAL  68          HG21      VAL  68   5.591   3.069   7.601
  517   HG22  VAL  68          HG22      VAL  68   5.227   4.611   8.374
  518   HG23  VAL  68          HG23      VAL  68   4.368   3.154   8.869
  519    H    ALA  69           HN       ALA  69   8.690   4.360  11.292
  520    HA   ALA  69           HA       ALA  69   8.899   2.332  13.244
  521    HB1  ALA  69           HB1      ALA  69  10.834   3.078  11.963
  522    HB2  ALA  69           HB2      ALA  69  11.131   3.321  13.685
  523    HB3  ALA  69           HB3      ALA  69  10.702   4.693  12.661
  524    H    SER  70           HN       SER  70   7.999   5.683  13.402
  525    HA   SER  70           HA       SER  70   8.531   6.117  16.162
  526    HB2  SER  70           HB2      SER  70   8.051   7.863  14.342
  527    HB3  SER  70           HB1      SER  70   6.350   7.485  14.593
  528    HG   SER  70           HG       SER  70   7.765   9.152  15.967
  529    H    LEU  71           HN       LEU  71   5.676   5.046  14.382
  530    HA   LEU  71           HA       LEU  71   3.945   4.902  16.643
  531    HB2  LEU  71           HB2      LEU  71   3.727   3.329  14.069
  532    HB3  LEU  71           HB1      LEU  71   2.427   3.730  15.192
  533    HG   LEU  71           HG       LEU  71   4.059   5.747  13.622
  534   HD11  LEU  71          HD11      LEU  71   2.464   4.371  12.262
  535   HD12  LEU  71          HD12      LEU  71   2.041   6.082  12.311
  536   HD13  LEU  71          HD13      LEU  71   1.157   4.927  13.308
  537   HD21  LEU  71          HD21      LEU  71   1.858   5.965  15.679
  538   HD22  LEU  71          HD22      LEU  71   2.072   7.224  14.464
  539   HD23  LEU  71          HD23      LEU  71   3.376   6.858  15.585
  540    H    THR  72           HN       THR  72   6.279   2.737  15.230
  541    HA   THR  72           HA       THR  72   6.190   1.028  17.554
  542    HB   THR  72           HB       THR  72   5.560  -0.282  14.910
  543    HG1  THR  72           HG1      THR  72   3.676   0.162  16.948
  544   HG21  THR  72          HG21      THR  72   6.575  -1.636  16.740
  545   HG22  THR  72          HG22      THR  72   4.940  -2.160  16.336
  546   HG23  THR  72          HG23      THR  72   5.224  -1.189  17.781
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  13.302   2.859  -3.625
    2    H2   MET   1           HT2      MET   1  12.965   4.157  -2.582
    3    H3   MET   1           HT3      MET   1  13.643   4.448  -4.113
    4    HA   MET   1           HA       MET   1  11.374   5.006  -4.297
    5    HB2  MET   1           HB2      MET   1  10.569   2.960  -5.754
    6    HB3  MET   1           HB1      MET   1  11.961   3.908  -6.280
    7    HG2  MET   1           HG2      MET   1  13.505   2.293  -5.408
    8    HG3  MET   1           HG1      MET   1  12.216   1.422  -4.575
    9    HE1  MET   1           HE1      MET   1  14.305  -0.073  -6.548
   10    HE2  MET   1           HE2      MET   1  13.104  -1.214  -7.148
   11    HE3  MET   1           HE3      MET   1  13.052  -0.696  -5.465
   12    H    ASP   2           HN       ASP   2   9.094   3.893  -4.384
   13    HA   ASP   2           HA       ASP   2   8.359   3.258  -1.727
   14    HB2  ASP   2           HB2      ASP   2   6.135   2.751  -2.709
   15    HB3  ASP   2           HB1      ASP   2   6.777   4.302  -3.245
   16    H    HIS   3           HN       HIS   3   7.773   1.329  -0.767
   17    HA   HIS   3           HA       HIS   3   8.162  -1.164  -2.291
   18    HB2  HIS   3           HB2      HIS   3  10.298  -0.633  -1.139
   19    HB3  HIS   3           HB1      HIS   3   9.438  -0.640   0.398
   20    HD2  HIS   3           HD2      HIS   3   8.853  -3.388  -2.401
   21    HE1  HIS   3           HE1      HIS   3  10.448  -5.253   1.033
   22    HE2  HIS   3           HE2      HIS   3   9.482  -5.658  -1.279
   23    H    VAL   4           HN       VAL   4   7.977  -1.119   1.180
   24    HA   VAL   4           HA       VAL   4   5.201  -2.112   1.029
   25    HB   VAL   4           HB       VAL   4   5.821  -3.206   3.216
   26   HG11  VAL   4          HG11      VAL   4   5.696  -4.546   1.226
   27   HG12  VAL   4          HG12      VAL   4   7.183  -4.998   2.056
   28   HG13  VAL   4          HG13      VAL   4   7.247  -3.935   0.650
   29   HG21  VAL   4          HG21      VAL   4   7.790  -1.805   3.732
   30   HG22  VAL   4          HG22      VAL   4   8.608  -2.438   2.300
   31   HG23  VAL   4          HG23      VAL   4   8.231  -3.512   3.647
   32    H    TYR   5           HN       TYR   5   7.335   0.294   2.410
   33    HA   TYR   5           HA       TYR   5   6.197   1.033   4.749
   34    HB2  TYR   5           HB2      TYR   5   6.829   3.058   2.603
   35    HB3  TYR   5           HB1      TYR   5   7.002   3.220   4.350
   36    HD1  TYR   5           HD2      TYR   5   8.786   2.035   5.556
   37    HD2  TYR   5           HD1      TYR   5   8.495   1.894   1.281
   38    HE1  TYR   5           HE2      TYR   5  11.098   1.164   5.432
   39    HE2  TYR   5           HE1      TYR   5  10.821   1.039   1.152
   40    HH   TYR   5           HH       TYR   5  12.481   0.044   2.404
   41    H    LYS   6           HN       LYS   6   5.164   2.499   1.656
   42    HA   LYS   6           HA       LYS   6   2.916   3.803   2.591
   43    HB2  LYS   6           HB2      LYS   6   2.092   3.738   0.285
   44    HB3  LYS   6           HB1      LYS   6   3.822   4.075   0.314
   45    HG2  LYS   6           HG2      LYS   6   4.269   1.652  -0.090
   46    HG3  LYS   6           HG1      LYS   6   2.534   1.381  -0.229
   47    HD2  LYS   6           HD2      LYS   6   4.003   3.388  -1.945
   48    HD3  LYS   6           HD1      LYS   6   3.792   1.706  -2.429
   49    HE2  LYS   6           HE2      LYS   6   1.270   2.086  -2.013
   50    HE3  LYS   6           HE1      LYS   6   1.660   3.805  -1.983
   51    HZ1  LYS   6           HZ1      LYS   6   2.397   3.753  -4.171
   52    HZ2  LYS   6           HZ2      LYS   6   0.993   2.795  -4.190
   53    HZ3  LYS   6           HZ3      LYS   6   2.526   2.061  -4.199
   54    H    GLY   7           HN       GLY   7   3.288   0.423   1.666
   55    HA2  GLY   7           HA2      GLY   7   0.538  -0.272   1.723
   56    HA3  GLY   7           HA1      GLY   7   1.888  -1.395   1.860
   57    H    GLN   8           HN       GLN   8   3.071  -0.173   4.190
   58    HA   GLN   8           HA       GLN   8   1.444  -1.437   6.204
   59    HB2  GLN   8           HB2      GLN   8   3.940  -1.559   6.164
   60    HB3  GLN   8           HB1      GLN   8   3.988   0.161   6.555
   61    HG2  GLN   8           HG2      GLN   8   4.213  -1.090   8.620
   62    HG3  GLN   8           HG1      GLN   8   2.620  -0.337   8.609
   63   HE21  GLN   8          HE21      GLN   8   1.488  -1.919   9.852
   64   HE22  GLN   8          HE22      GLN   8   1.302  -3.530   9.349
   65    H    LEU   9           HN       LEU   9   2.604   1.860   5.618
   66    HA   LEU   9           HA       LEU   9   1.336   3.074   7.807
   67    HB2  LEU   9           HB2      LEU   9   3.116   4.139   6.406
   68    HB3  LEU   9           HB1      LEU   9   1.924   4.336   5.122
   69    HG   LEU   9           HG       LEU   9   0.500   5.651   6.716
   70   HD11  LEU   9          HD11      LEU   9   1.103   5.089   8.896
   71   HD12  LEU   9          HD12      LEU   9   1.986   6.599   8.705
   72   HD13  LEU   9          HD13      LEU   9   2.829   5.058   8.529
   73   HD21  LEU   9          HD21      LEU   9   2.091   7.658   6.760
   74   HD22  LEU   9          HD22      LEU   9   1.812   6.919   5.184
   75   HD23  LEU   9          HD23      LEU   9   3.304   6.582   6.064
   76    H    GLN  10           HN       GLN  10   0.230   2.502   4.528
   77    HA   GLN  10           HA       GLN  10  -2.174   3.913   4.809
   78    HB2  GLN  10           HB2      GLN  10  -1.265   3.224   2.618
   79    HB3  GLN  10           HB1      GLN  10  -1.569   1.539   3.031
   80    HG2  GLN  10           HG2      GLN  10  -3.962   1.938   3.135
   81    HG3  GLN  10           HG1      GLN  10  -3.722   3.667   2.895
   82   HE21  GLN  10          HE21      GLN  10  -2.494   0.701   1.214
   83   HE22  GLN  10          HE22      GLN  10  -2.902   1.249  -0.341
   84    H    ALA  11           HN       ALA  11  -1.354   0.529   5.396
   85    HA   ALA  11           HA       ALA  11  -4.004  -0.310   6.023
   86    HB1  ALA  11           HB1      ALA  11  -1.372  -1.541   6.869
   87    HB2  ALA  11           HB2      ALA  11  -2.199  -1.869   5.345
   88    HB3  ALA  11           HB3      ALA  11  -2.947  -2.333   6.873
   89    H    TYR  12           HN       TYR  12  -1.296   0.932   7.923
   90    HA   TYR  12           HA       TYR  12  -2.302   0.367  10.490
   91    HB2  TYR  12           HB2      TYR  12   0.008   1.063  10.138
   92    HB3  TYR  12           HB1      TYR  12  -0.534   2.639   9.562
   93    HD1  TYR  12           HD1      TYR  12  -0.505   0.379  12.518
   94    HD2  TYR  12           HD2      TYR  12  -1.101   4.385  11.087
   95    HE1  TYR  12           HE1      TYR  12  -0.575   1.203  14.854
   96    HE2  TYR  12           HE2      TYR  12  -1.166   5.209  13.428
   97    HH   TYR  12           HH       TYR  12  -0.028   3.659  15.952
   98    H    ALA  13           HN       ALA  13  -2.501   3.405   8.609
   99    HA   ALA  13           HA       ALA  13  -4.075   4.846  10.398
  100    HB1  ALA  13           HB1      ALA  13  -4.577   5.216   7.472
  101    HB2  ALA  13           HB2      ALA  13  -2.928   5.441   8.040
  102    HB3  ALA  13           HB3      ALA  13  -4.231   6.420   8.715
  103    H    LEU  14           HN       LEU  14  -5.100   2.869   7.621
  104    HA   LEU  14           HA       LEU  14  -7.863   3.244   7.975
  105    HB2  LEU  14           HB2      LEU  14  -6.884   2.392   5.909
  106    HB3  LEU  14           HB1      LEU  14  -6.374   0.924   6.739
  107    HG   LEU  14           HG       LEU  14  -9.270   1.543   7.065
  108   HD11  LEU  14          HD11      LEU  14  -9.096   2.286   4.777
  109   HD12  LEU  14          HD12      LEU  14  -9.827   0.681   4.775
  110   HD13  LEU  14          HD13      LEU  14  -8.129   0.878   4.340
  111   HD21  LEU  14          HD21      LEU  14  -8.093  -0.590   7.763
  112   HD22  LEU  14          HD22      LEU  14  -7.869  -0.954   6.054
  113   HD23  LEU  14          HD23      LEU  14  -9.496  -0.846   6.725
  114    H    GLN  15           HN       GLN  15  -5.671   0.727   9.163
  115    HA   GLN  15           HA       GLN  15  -7.654  -0.878  10.394
  116    HB2  GLN  15           HB2      GLN  15  -5.343  -1.643   9.875
  117    HB3  GLN  15           HB1      GLN  15  -4.740  -0.596  11.161
  118    HG2  GLN  15           HG2      GLN  15  -6.104  -1.805  12.810
  119    HG3  GLN  15           HG1      GLN  15  -6.753  -2.834  11.534
  120   HE21  GLN  15          HE21      GLN  15  -5.699  -4.809  11.398
  121   HE22  GLN  15          HE22      GLN  15  -4.073  -5.078  11.804
  122    H    HIS  16           HN       HIS  16  -5.684   1.814  11.541
  123    HA   HIS  16           HA       HIS  16  -6.845   1.669  14.221
  124    HB2  HIS  16           HB2      HIS  16  -4.726   3.409  12.955
  125    HB3  HIS  16           HB1      HIS  16  -5.351   3.705  14.577
  126    HD2  HIS  16           HD2      HIS  16  -4.111   2.179  16.526
  127    HE1  HIS  16           HE1      HIS  16  -2.342  -0.695  13.990
  128    HE2  HIS  16           HE2      HIS  16  -2.535   0.101  16.394
  129    H    ASN  17           HN       ASN  17  -7.750   2.926  11.282
  130    HA   ASN  17           HA       ASN  17  -9.365   4.428  10.649
  131    HB2  ASN  17           HB2      ASN  17 -10.560   3.260  12.585
  132    HB3  ASN  17           HB1      ASN  17 -10.109   4.653  13.565
  133   HD21  ASN  17          HD21      ASN  17 -12.102   5.739  13.774
  134   HD22  ASN  17          HD22      ASN  17 -13.038   6.257  12.456
  135    H    LEU  18           HN       LEU  18  -7.260   5.724  10.381
  136    HA   LEU  18           HA       LEU  18  -7.510   8.257  11.908
  137    HB2  LEU  18           HB2      LEU  18  -4.949   6.915  11.019
  138    HB3  LEU  18           HB1      LEU  18  -5.061   8.495  11.792
  139    HG   LEU  18           HG       LEU  18  -6.080   5.919  13.031
  140   HD11  LEU  18          HD11      LEU  18  -3.514   7.446  13.568
  141   HD12  LEU  18          HD12      LEU  18  -3.631   5.867  12.791
  142   HD13  LEU  18          HD13      LEU  18  -4.088   6.053  14.483
  143   HD21  LEU  18          HD21      LEU  18  -5.821   7.512  15.128
  144   HD22  LEU  18          HD22      LEU  18  -7.251   7.640  14.109
  145   HD23  LEU  18          HD23      LEU  18  -5.932   8.798  13.925
  146    H    GLU  19           HN       GLU  19  -7.155  10.143  10.757
  147    HA   GLU  19           HA       GLU  19  -8.038  10.377   8.195
  148    HB2  GLU  19           HB2      GLU  19  -5.955  12.073   9.588
  149    HB3  GLU  19           HB1      GLU  19  -6.796  12.538   8.108
  150    HG2  GLU  19           HG2      GLU  19  -8.192  11.825  10.702
  151    HG3  GLU  19           HG1      GLU  19  -7.841  13.477  10.195
  152    H    LEU  20           HN       LEU  20  -7.250  10.180   6.194
  153    HA   LEU  20           HA       LEU  20  -5.229   8.426   5.618
  154    HB2  LEU  20           HB2      LEU  20  -5.975  10.717   3.800
  155    HB3  LEU  20           HB1      LEU  20  -5.397   9.113   3.341
  156    HG   LEU  20           HG       LEU  20  -8.044   9.778   4.659
  157   HD11  LEU  20          HD11      LEU  20  -8.941   8.745   2.564
  158   HD12  LEU  20          HD12      LEU  20  -7.292   8.662   1.945
  159   HD13  LEU  20          HD13      LEU  20  -8.034  10.230   2.275
  160   HD21  LEU  20          HD21      LEU  20  -6.637   7.151   4.144
  161   HD22  LEU  20          HD22      LEU  20  -8.397   7.236   4.233
  162   HD23  LEU  20          HD23      LEU  20  -7.423   7.704   5.623
  163    HA   PRO  21           HA       PRO  21  -1.494  10.706   6.326
  164    HB2  PRO  21           HB2      PRO  21   0.237   9.284   4.727
  165    HB3  PRO  21           HB1      PRO  21  -0.362   8.680   6.277
  166    HG2  PRO  21           HG2      PRO  21  -1.255   8.001   3.516
  167    HG3  PRO  21           HG1      PRO  21  -1.080   6.954   4.935
  168    HD2  PRO  21           HD2      PRO  21  -3.507   7.929   4.079
  169    HD3  PRO  21           HD1      PRO  21  -3.158   7.512   5.771
  170    H    VAL  22           HN       VAL  22  -0.149  12.248   5.369
  171    HA   VAL  22           HA       VAL  22  -0.668  12.878   2.516
  172    HB   VAL  22           HB       VAL  22  -0.567  14.780   4.873
  173   HG11  VAL  22          HG11      VAL  22  -0.442  15.287   1.893
  174   HG12  VAL  22          HG12      VAL  22   0.664  15.863   3.140
  175   HG13  VAL  22          HG13      VAL  22  -0.970  16.521   3.039
  176   HG21  VAL  22          HG21      VAL  22  -2.728  13.572   4.309
  177   HG22  VAL  22          HG22      VAL  22  -2.699  14.406   2.754
  178   HG23  VAL  22          HG23      VAL  22  -2.821  15.331   4.251
  179    H    TYR  23           HN       TYR  23   1.091  13.136   1.341
  180    HA   TYR  23           HA       TYR  23   3.726  13.268   2.656
  181    HB2  TYR  23           HB2      TYR  23   2.901  12.328  -0.074
  182    HB3  TYR  23           HB1      TYR  23   4.570  12.501   0.469
  183    HD1  TYR  23           HD1      TYR  23   1.338  10.951   1.581
  184    HD2  TYR  23           HD2      TYR  23   5.606  10.715   1.498
  185    HE1  TYR  23           HE1      TYR  23   1.234   8.751   2.699
  186    HE2  TYR  23           HE2      TYR  23   5.525   8.501   2.607
  187    HH   TYR  23           HH       TYR  23   3.638   7.344   4.249
  188    H    ALA  24           HN       ALA  24   5.328  14.637   1.835
  189    HA   ALA  24           HA       ALA  24   4.315  16.985   0.310
  190    HB1  ALA  24           HB1      ALA  24   4.968  17.303   2.815
  191    HB2  ALA  24           HB2      ALA  24   5.608  18.440   1.629
  192    HB3  ALA  24           HB3      ALA  24   6.629  17.140   2.241
  193    H    ASN  25           HN       ASN  25   5.623  17.777  -1.332
  194    HA   ASN  25           HA       ASN  25   8.003  16.131  -2.001
  195    HB2  ASN  25           HB2      ASN  25   5.984  17.443  -3.835
  196    HB3  ASN  25           HB1      ASN  25   7.432  16.590  -4.367
  197   HD21  ASN  25          HD21      ASN  25   7.113  14.558  -2.138
  198   HD22  ASN  25          HD22      ASN  25   5.851  13.546  -2.653
  199    H    GLU  26           HN       GLU  26   9.854  17.199  -2.148
  200    HA   GLU  26           HA       GLU  26   9.841  20.058  -2.927
  201    HB2  GLU  26           HB2      GLU  26  11.298  18.916  -0.532
  202    HB3  GLU  26           HB1      GLU  26  11.553  20.530  -1.184
  203    HG2  GLU  26           HG2      GLU  26   9.199  21.087  -0.797
  204    HG3  GLU  26           HG1      GLU  26   8.897  19.458  -0.193
  205    H    ARG  27           HN       ARG  27  11.341  20.503  -4.437
  206    HA   ARG  27           HA       ARG  27  13.605  18.621  -4.795
  207    HB2  ARG  27           HB2      ARG  27  11.790  18.213  -6.470
  208    HB3  ARG  27           HB1      ARG  27  11.991  19.874  -7.032
  209    HG2  ARG  27           HG2      ARG  27  14.407  19.371  -7.487
  210    HG3  ARG  27           HG1      ARG  27  14.096  17.692  -7.049
  211    HD2  ARG  27           HD2      ARG  27  13.948  17.834  -9.442
  212    HD3  ARG  27           HD1      ARG  27  12.305  17.657  -8.830
  213    HE   ARG  27           HE       ARG  27  12.920  20.409  -9.061
  214   HH11  ARG  27          HH21      ARG  27  12.336  17.573 -10.955
  215   HH12  ARG  27          HH22      ARG  27  11.692  18.442 -12.309
  216   HH21  ARG  27          HH11      ARG  27  12.080  21.554 -10.833
  217   HH22  ARG  27          HH12      ARG  27  11.549  20.695 -12.239
  218    H    GLU  28           HN       GLU  28  15.478  19.675  -4.599
  219    HA   GLU  28           HA       GLU  28  15.862  22.191  -5.964
  220    HB2  GLU  28           HB2      GLU  28  14.888  23.020  -3.897
  221    HB3  GLU  28           HB1      GLU  28  16.008  22.048  -2.944
  222    HG2  GLU  28           HG2      GLU  28  17.200  23.932  -4.958
  223    HG3  GLU  28           HG1      GLU  28  16.504  24.639  -3.503
  224    H    GLY  29           HN       GLY  29  17.930  22.310  -6.652
  225    HA2  GLY  29           HA2      GLY  29  20.270  21.914  -5.510
  226    HA3  GLY  29           HA1      GLY  29  19.797  20.242  -5.734
  227    HA   PRO  30           HA       PRO  30  21.668  22.631  -9.627
  228    HB2  PRO  30           HB2      PRO  30  23.956  20.811  -8.982
  229    HB3  PRO  30           HB1      PRO  30  23.979  22.454  -9.646
  230    HG2  PRO  30           HG2      PRO  30  24.534  21.879  -7.045
  231    HG3  PRO  30           HG1      PRO  30  23.874  23.429  -7.591
  232    HD2  PRO  30           HD2      PRO  30  22.537  21.314  -6.029
  233    HD3  PRO  30           HD1      PRO  30  22.056  23.001  -6.288
  234    HA   PRO  31           HA       PRO  31  20.472  19.285 -12.287
  235    HB2  PRO  31           HB2      PRO  31  23.065  19.518 -13.760
  236    HB3  PRO  31           HB1      PRO  31  21.406  19.616 -14.379
  237    HG2  PRO  31           HG2      PRO  31  22.936  21.793 -14.104
  238    HG3  PRO  31           HG1      PRO  31  21.187  21.837 -13.815
  239    HD2  PRO  31           HD2      PRO  31  23.428  21.867 -11.833
  240    HD3  PRO  31           HD1      PRO  31  21.829  22.636 -11.758
  241    H    HIS  32           HN       HIS  32  23.995  19.074 -11.696
  242    HA   HIS  32           HA       HIS  32  23.893  16.162 -11.654
  243    HB2  HIS  32           HB2      HIS  32  26.163  18.126 -11.289
  244    HB3  HIS  32           HB1      HIS  32  26.354  16.373 -11.244
  245    HD2  HIS  32           HD2      HIS  32  26.203  15.092 -13.763
  246    HE1  HIS  32           HE1      HIS  32  25.691  18.608 -16.043
  247    HE2  HIS  32           HE2      HIS  32  26.124  16.108 -16.166
  248    H    ALA  33           HN       ALA  33  22.992  18.385  -9.514
  249    HA   ALA  33           HA       ALA  33  23.649  16.640  -7.225
  250    HB1  ALA  33           HB1      ALA  33  25.215  18.666  -7.387
  251    HB2  ALA  33           HB2      ALA  33  24.384  18.413  -5.852
  252    HB3  ALA  33           HB3      ALA  33  23.804  19.637  -6.978
  253    HA   PRO  34           HA       PRO  34  19.243  18.159  -7.246
  254    HB2  PRO  34           HB2      PRO  34  17.953  15.881  -7.979
  255    HB3  PRO  34           HB1      PRO  34  18.615  17.018  -9.168
  256    HG2  PRO  34           HG2      PRO  34  19.683  14.389  -8.267
  257    HG3  PRO  34           HG1      PRO  34  19.758  15.153  -9.864
  258    HD2  PRO  34           HD2      PRO  34  21.852  15.128  -7.979
  259    HD3  PRO  34           HD1      PRO  34  21.736  16.208  -9.381
  260    H    ARG  35           HN       ARG  35  17.921  17.953  -5.453
  261    HA   ARG  35           HA       ARG  35  18.362  15.622  -3.677
  262    HB2  ARG  35           HB2      ARG  35  18.195  18.523  -2.832
  263    HB3  ARG  35           HB1      ARG  35  18.249  17.141  -1.739
  264    HG2  ARG  35           HG2      ARG  35  20.440  16.495  -2.601
  265    HG3  ARG  35           HG1      ARG  35  20.386  17.802  -3.784
  266    HD2  ARG  35           HD2      ARG  35  21.733  18.520  -1.895
  267    HD3  ARG  35           HD1      ARG  35  20.230  19.439  -1.902
  268    HE   ARG  35           HE       ARG  35  19.941  17.115  -0.293
  269   HH11  ARG  35          HH21      ARG  35  21.461  20.222  -0.412
  270   HH12  ARG  35          HH22      ARG  35  21.480  20.430   1.308
  271   HH21  ARG  35          HH11      ARG  35  19.964  17.382   1.960
  272   HH22  ARG  35          HH12      ARG  35  20.632  18.822   2.651
  273    H    PHE  36           HN       PHE  36  16.518  14.655  -3.042
  274    HA   PHE  36           HA       PHE  36  13.983  16.163  -3.491
  275    HB2  PHE  36           HB2      PHE  36  14.470  13.180  -3.472
  276    HB3  PHE  36           HB1      PHE  36  12.938  13.992  -3.804
  277    HD1  PHE  36           HD2      PHE  36  12.706  15.426  -5.772
  278    HD2  PHE  36           HD1      PHE  36  16.193  13.054  -5.131
  279    HE1  PHE  36           HE2      PHE  36  13.292  15.666  -8.171
  280    HE2  PHE  36           HE1      PHE  36  16.830  13.325  -7.488
  281    HZ   PHE  36           HZ       PHE  36  15.379  14.618  -9.043
  282    H    ARG  37           HN       ARG  37  13.540  17.007  -1.506
  283    HA   ARG  37           HA       ARG  37  13.706  15.236   0.851
  284    HB2  ARG  37           HB2      ARG  37  13.221  18.220   0.578
  285    HB3  ARG  37           HB1      ARG  37  13.211  17.358   2.115
  286    HG2  ARG  37           HG2      ARG  37  15.531  16.646   1.749
  287    HG3  ARG  37           HG1      ARG  37  15.545  17.455   0.181
  288    HD2  ARG  37           HD2      ARG  37  15.010  18.877   2.803
  289    HD3  ARG  37           HD1      ARG  37  16.597  18.791   2.044
  290    HE   ARG  37           HE       ARG  37  14.845  19.764   0.108
  291   HH11  ARG  37          HH21      ARG  37  16.021  20.635   3.244
  292   HH12  ARG  37          HH22      ARG  37  15.867  22.340   2.981
  293   HH21  ARG  37          HH11      ARG  37  14.641  22.001  -0.245
  294   HH22  ARG  37          HH12      ARG  37  15.086  23.113   1.006
  295    H    CYS  38           HN       CYS  38  11.959  13.979   0.998
  296    HA   CYS  38           HA       CYS  38   9.282  15.195   0.592
  297    HB2  CYS  38           HB2      CYS  38   9.800  13.267  -0.853
  298    HB3  CYS  38           HB1      CYS  38  10.060  12.277   0.585
  299    HG   CYS  38           HG       CYS  38   7.286  13.615   0.054
  300    H    ASN  39           HN       ASN  39   8.150  15.617   2.334
  301    HA   ASN  39           HA       ASN  39   8.831  14.237   4.872
  302    HB2  ASN  39           HB2      ASN  39   7.330  16.828   4.413
  303    HB3  ASN  39           HB1      ASN  39   7.702  16.119   5.980
  304   HD21  ASN  39          HD21      ASN  39  10.394  15.184   5.223
  305   HD22  ASN  39          HD22      ASN  39  11.361  16.572   5.084
  306    H    VAL  40           HN       VAL  40   7.135  13.468   6.215
  307    HA   VAL  40           HA       VAL  40   4.583  12.953   4.785
  308    HB   VAL  40           HB       VAL  40   5.856  10.897   4.918
  309   HG11  VAL  40          HG11      VAL  40   5.921  11.147   7.928
  310   HG12  VAL  40          HG12      VAL  40   7.234  11.783   6.937
  311   HG13  VAL  40          HG13      VAL  40   6.847  10.066   6.894
  312   HG21  VAL  40          HG21      VAL  40   4.236   9.529   5.990
  313   HG22  VAL  40          HG22      VAL  40   3.348  10.969   5.490
  314   HG23  VAL  40          HG23      VAL  40   3.844  10.778   7.172
  315    H    THR  41           HN       THR  41   2.938  13.895   5.711
  316    HA   THR  41           HA       THR  41   3.104  14.711   8.544
  317    HB   THR  41           HB       THR  41   1.081  15.379   6.395
  318    HG1  THR  41           HG1      THR  41   3.420  16.211   6.531
  319   HG21  THR  41          HG21      THR  41   0.431  17.160   8.087
  320   HG22  THR  41          HG22      THR  41   1.392  16.272   9.269
  321   HG23  THR  41          HG23      THR  41  -0.014  15.512   8.525
  322    H    PHE  42           HN       PHE  42   2.215  13.475  10.077
  323    HA   PHE  42           HA       PHE  42  -0.224  11.938   9.450
  324    HB2  PHE  42           HB2      PHE  42   2.074  10.604   9.329
  325    HB3  PHE  42           HB1      PHE  42   1.934  10.613  11.085
  326    HD1  PHE  42           HD1      PHE  42  -0.249  10.084   8.107
  327    HD2  PHE  42           HD2      PHE  42   0.816   8.772  12.039
  328    HE1  PHE  42           HE1      PHE  42  -1.914   8.264   7.937
  329    HE2  PHE  42           HE2      PHE  42  -0.837   6.922  11.868
  330    HZ   PHE  42           HZ       PHE  42  -2.203   6.678   9.827
  331    H    CYS  43           HN       CYS  43  -1.680  11.919  11.088
  332    HA   CYS  43           HA       CYS  43  -2.694  12.716  12.999
  333    HB2  CYS  43           HB2      CYS  43  -0.206  11.655  14.342
  334    HB3  CYS  43           HB1      CYS  43  -1.846  11.716  14.988
  335    HG   CYS  43           HG       CYS  43  -2.072  10.064  12.575
  336    H    GLY  44           HN       GLY  44  -0.970  14.636  11.635
  337    HA2  GLY  44           HA2      GLY  44  -0.445  16.864  12.034
  338    HA3  GLY  44           HA1      GLY  44  -0.830  16.612  13.733
  339    H    GLN  45           HN       GLN  45   1.473  14.672  11.906
  340    HA   GLN  45           HA       GLN  45   3.730  15.988  13.292
  341    HB2  GLN  45           HB2      GLN  45   3.169  13.017  13.226
  342    HB3  GLN  45           HB1      GLN  45   4.676  13.751  13.782
  343    HG2  GLN  45           HG2      GLN  45   3.471  14.983  15.519
  344    HG3  GLN  45           HG1      GLN  45   1.939  14.323  14.950
  345   HE21  GLN  45          HE21      GLN  45   2.126  13.619  17.443
  346   HE22  GLN  45          HE22      GLN  45   2.783  12.074  17.691
  347    H    THR  46           HN       THR  46   5.236  16.540  11.864
  348    HA   THR  46           HA       THR  46   5.294  15.175   9.246
  349    HB   THR  46           HB       THR  46   6.353  17.135   8.386
  350    HG1  THR  46           HG1      THR  46   6.908  17.518  11.051
  351   HG21  THR  46          HG21      THR  46   4.684  18.863   8.931
  352   HG22  THR  46          HG22      THR  46   4.177  17.929  10.338
  353   HG23  THR  46          HG23      THR  46   3.917  17.289   8.714
  354    H    PHE  47           HN       PHE  47   6.681  13.512   9.263
  355    HA   PHE  47           HA       PHE  47   9.176  13.670  10.787
  356    HB2  PHE  47           HB2      PHE  47   7.819  11.467   9.236
  357    HB3  PHE  47           HB1      PHE  47   9.450  11.299   9.881
  358    HD1  PHE  47           HD1      PHE  47   5.951  12.127  10.852
  359    HD2  PHE  47           HD2      PHE  47   9.795  10.745  12.161
  360    HE1  PHE  47           HE1      PHE  47   4.998  11.588  13.076
  361    HE2  PHE  47           HE2      PHE  47   8.849  10.215  14.390
  362    HZ   PHE  47           HZ       PHE  47   6.449  10.636  14.849
  363    H    GLN  48           HN       GLN  48  11.187  13.791   9.887
  364    HA   GLN  48           HA       GLN  48  11.463  13.762   6.959
  365    HB2  GLN  48           HB2      GLN  48  11.052  16.116   7.554
  366    HB3  GLN  48           HB1      GLN  48  12.383  16.058   8.711
  367    HG2  GLN  48           HG2      GLN  48  13.980  15.635   6.944
  368    HG3  GLN  48           HG1      GLN  48  12.691  15.468   5.756
  369   HE21  GLN  48          HE21      GLN  48  14.763  17.406   5.419
  370   HE22  GLN  48          HE22      GLN  48  14.080  18.952   5.575
  371    H    SER  49           HN       SER  49  13.478  13.160   6.246
  372    HA   SER  49           HA       SER  49  15.193  11.883   8.232
  373    HB2  SER  49           HB2      SER  49  14.670  10.626   6.221
  374    HB3  SER  49           HB1      SER  49  15.287  11.927   5.206
  375    HG   SER  49           HG       SER  49  17.329  11.544   5.993
  376    H    SER  50           HN       SER  50  17.532  12.189   8.174
  377    HA   SER  50           HA       SER  50  18.210  15.026   7.941
  378    HB2  SER  50           HB2      SER  50  20.197  14.462   9.187
  379    HB3  SER  50           HB1      SER  50  18.816  13.699   9.971
  380    HG   SER  50           HG       SER  50  19.940  12.167   8.003
  381    H    GLU  51           HN       GLU  51  18.312  12.344   5.963
  382    HA   GLU  51           HA       GLU  51  20.630  13.388   4.431
  383    HB2  GLU  51           HB2      GLU  51  19.557  10.567   4.652
  384    HB3  GLU  51           HB1      GLU  51  20.790  11.074   3.495
  385    HG2  GLU  51           HG2      GLU  51  22.250  11.794   5.332
  386    HG3  GLU  51           HG1      GLU  51  21.012  11.351   6.507
  387    H    PHE  52           HN       PHE  52  20.450  13.390   2.186
  388    HA   PHE  52           HA       PHE  52  17.678  13.652   1.203
  389    HB2  PHE  52           HB2      PHE  52  19.093  14.775  -0.793
  390    HB3  PHE  52           HB1      PHE  52  18.624  15.682   0.645
  391    HD1  PHE  52           HD2      PHE  52  20.192  15.444   2.665
  392    HD2  PHE  52           HD1      PHE  52  21.363  14.733  -1.368
  393    HE1  PHE  52           HE2      PHE  52  22.582  15.856   3.306
  394    HE2  PHE  52           HE1      PHE  52  23.748  15.138  -0.774
  395    HZ   PHE  52           HZ       PHE  52  24.362  15.701   1.569
  396    H    PHE  53           HN       PHE  53  16.935  12.446  -0.258
  397    HA   PHE  53           HA       PHE  53  18.509  10.183  -1.204
  398    HB2  PHE  53           HB2      PHE  53  15.664  10.544  -2.079
  399    HB3  PHE  53           HB1      PHE  53  16.543   9.069  -1.665
  400    HD1  PHE  53           HD1      PHE  53  14.969  12.107  -0.275
  401    HD2  PHE  53           HD2      PHE  53  16.656   8.279   0.575
  402    HE1  PHE  53           HE1      PHE  53  14.080  12.251   2.022
  403    HE2  PHE  53           HE2      PHE  53  15.799   8.439   2.870
  404    HZ   PHE  53           HZ       PHE  53  14.494  10.398   3.607
  405    HA   PRO  54           HA       PRO  54  19.252  11.977  -5.213
  406    HB2  PRO  54           HB2      PRO  54  19.916   9.759  -6.644
  407    HB3  PRO  54           HB1      PRO  54  20.965  10.424  -5.374
  408    HG2  PRO  54           HG2      PRO  54  19.109   8.089  -5.262
  409    HG3  PRO  54           HG1      PRO  54  20.724   8.281  -4.557
  410    HD2  PRO  54           HD2      PRO  54  18.372   8.577  -3.119
  411    HD3  PRO  54           HD1      PRO  54  19.920   9.329  -2.676
  412    H    THR  55           HN       THR  55  16.602  10.014  -4.563
  413    HA   THR  55           HA       THR  55  15.359  10.691  -7.162
  414    HB   THR  55           HB       THR  55  14.170   8.343  -6.794
  415    HG1  THR  55           HG1      THR  55  16.397   7.213  -6.004
  416   HG21  THR  55          HG21      THR  55  15.910   7.277  -8.186
  417   HG22  THR  55          HG22      THR  55  17.008   8.610  -7.827
  418   HG23  THR  55          HG23      THR  55  15.536   8.905  -8.753
  419    H    LEU  56           HN       LEU  56  13.093  10.814  -7.133
  420    HA   LEU  56           HA       LEU  56  12.086  12.093  -4.823
  421    HB2  LEU  56           HB2      LEU  56  11.324  11.921  -7.489
  422    HB3  LEU  56           HB1      LEU  56  10.000  11.124  -6.643
  423    HG   LEU  56           HG       LEU  56  11.103  13.843  -5.880
  424   HD11  LEU  56          HD11      LEU  56   9.001  14.686  -6.883
  425   HD12  LEU  56          HD12      LEU  56   8.699  13.068  -7.518
  426   HD13  LEU  56          HD13      LEU  56  10.109  13.979  -8.058
  427   HD21  LEU  56          HD21      LEU  56  10.018  12.719  -4.014
  428   HD22  LEU  56          HD22      LEU  56   8.664  12.244  -5.036
  429   HD23  LEU  56          HD23      LEU  56   8.909  13.943  -4.630
  430    H    LYS  57           HN       LYS  57  10.792   9.090  -6.355
  431    HA   LYS  57           HA       LYS  57   9.119   8.341  -4.326
  432    HB2  LYS  57           HB2      LYS  57  10.769   6.632  -6.203
  433    HB3  LYS  57           HB1      LYS  57   9.454   6.010  -5.207
  434    HG2  LYS  57           HG2      LYS  57   7.882   7.565  -6.305
  435    HG3  LYS  57           HG1      LYS  57   9.198   8.194  -7.297
  436    HD2  LYS  57           HD2      LYS  57   9.549   5.945  -8.265
  437    HD3  LYS  57           HD1      LYS  57   8.225   5.319  -7.281
  438    HE2  LYS  57           HE2      LYS  57   6.657   6.864  -8.385
  439    HE3  LYS  57           HE1      LYS  57   7.976   7.515  -9.360
  440    HZ1  LYS  57           HZ1      LYS  57   6.679   5.819 -10.537
  441    HZ2  LYS  57           HZ2      LYS  57   7.111   4.674  -9.358
  442    HZ3  LYS  57           HZ3      LYS  57   8.302   5.364 -10.352
  443    H    SER  58           HN       SER  58  12.602   7.880  -4.584
  444    HA   SER  58           HA       SER  58  12.973   6.008  -2.544
  445    HB2  SER  58           HB2      SER  58  14.687   8.244  -3.591
  446    HB3  SER  58           HB1      SER  58  15.243   7.185  -2.296
  447    HG   SER  58           HG       SER  58  14.536   5.444  -3.832
  448    H    ALA  59           HN       ALA  59  12.486   9.499  -2.405
  449    HA   ALA  59           HA       ALA  59  13.072   9.756   0.377
  450    HB1  ALA  59           HB1      ALA  59  13.052  11.585  -1.412
  451    HB2  ALA  59           HB2      ALA  59  12.329  11.992   0.147
  452    HB3  ALA  59           HB3      ALA  59  11.304  11.582  -1.232
  453    H    GLU  60           HN       GLU  60  10.111   9.230  -1.482
  454    HA   GLU  60           HA       GLU  60   8.255   9.591   0.630
  455    HB2  GLU  60           HB2      GLU  60   8.119   7.934  -1.896
  456    HB3  GLU  60           HB1      GLU  60   6.751   8.189  -0.811
  457    HG2  GLU  60           HG2      GLU  60   6.908  10.608  -1.131
  458    HG3  GLU  60           HG1      GLU  60   8.325  10.400  -2.160
  459    H    HIS  61           HN       HIS  61   9.934   6.693  -0.586
  460    HA   HIS  61           HA       HIS  61   8.672   4.840   1.124
  461    HB2  HIS  61           HB2      HIS  61   9.963   3.373  -0.045
  462    HB3  HIS  61           HB1      HIS  61  10.646   4.758  -0.889
  463    HD2  HIS  61           HD2      HIS  61  13.385   4.915  -0.534
  464    HE1  HIS  61           HE1      HIS  61  13.635   2.878   3.153
  465    HE2  HIS  61           HE2      HIS  61  14.980   4.034   1.337
  466    H    ALA  62           HN       ALA  62  11.759   6.563   1.458
  467    HA   ALA  62           HA       ALA  62  12.379   5.519   4.015
  468    HB1  ALA  62           HB1      ALA  62  13.960   7.520   4.099
  469    HB2  ALA  62           HB2      ALA  62  13.351   7.938   2.497
  470    HB3  ALA  62           HB3      ALA  62  14.182   6.403   2.751
  471    H    ALA  63           HN       ALA  63  10.630   8.364   2.923
  472    HA   ALA  63           HA       ALA  63  10.481   9.770   5.344
  473    HB1  ALA  63           HB1      ALA  63   9.760  10.876   3.367
  474    HB2  ALA  63           HB2      ALA  63   8.310  10.671   4.349
  475    HB3  ALA  63           HB3      ALA  63   8.609   9.596   2.983
  476    H    ALA  64           HN       ALA  64   8.264   7.328   3.991
  477    HA   ALA  64           HA       ALA  64   6.503   7.345   6.227
  478    HB1  ALA  64           HB1      ALA  64   6.942   5.484   3.913
  479    HB2  ALA  64           HB2      ALA  64   5.545   6.499   4.267
  480    HB3  ALA  64           HB3      ALA  64   5.840   5.044   5.220
  481    H    LYS  65           HN       LYS  65   9.451   5.559   5.463
  482    HA   LYS  65           HA       LYS  65   9.236   3.475   7.337
  483    HB2  LYS  65           HB2      LYS  65  10.989   3.660   5.574
  484    HB3  LYS  65           HB1      LYS  65  11.728   4.978   6.481
  485    HG2  LYS  65           HG2      LYS  65  12.085   3.484   8.402
  486    HG3  LYS  65           HG1      LYS  65  11.323   2.160   7.523
  487    HD2  LYS  65           HD2      LYS  65  13.086   2.318   5.785
  488    HD3  LYS  65           HD1      LYS  65  13.844   3.626   6.694
  489    HE2  LYS  65           HE2      LYS  65  14.955   1.495   7.201
  490    HE3  LYS  65           HE1      LYS  65  14.125   2.107   8.630
  491    HZ1  LYS  65           HZ1      LYS  65  13.747  -0.286   8.192
  492    HZ2  LYS  65           HZ2      LYS  65  12.956   0.133   6.749
  493    HZ3  LYS  65           HZ3      LYS  65  12.317   0.625   8.244
  494    H    ILE  66           HN       ILE  66  10.891   6.653   7.727
  495    HA   ILE  66           HA       ILE  66  11.595   6.303  10.407
  496    HB   ILE  66           HB       ILE  66  11.627   8.846  10.432
  497   HG12  ILE  66          HG12      ILE  66  10.852   8.440   7.534
  498   HG13  ILE  66          HG11      ILE  66   9.810   9.151   8.760
  499   HG21  ILE  66          HG21      ILE  66  13.537   8.963   8.913
  500   HG22  ILE  66          HG22      ILE  66  13.018   7.480   8.111
  501   HG23  ILE  66          HG23      ILE  66  13.571   7.432   9.786
  502   HD11  ILE  66          HD11      ILE  66  10.791  10.981   7.615
  503   HD12  ILE  66          HD12      ILE  66  12.394  10.246   7.659
  504   HD13  ILE  66          HD13      ILE  66  11.662  10.858   9.143
  505    H    ALA  67           HN       ALA  67   8.684   7.748   8.971
  506    HA   ALA  67           HA       ALA  67   7.478   8.456  11.448
  507    HB1  ALA  67           HB1      ALA  67   6.902   9.317   9.110
  508    HB2  ALA  67           HB2      ALA  67   5.547   8.973  10.185
  509    HB3  ALA  67           HB3      ALA  67   5.976   7.829   8.910
  510    H    VAL  68           HN       VAL  68   7.101   5.654   9.313
  511    HA   VAL  68           HA       VAL  68   5.113   4.324  10.754
  512    HB   VAL  68           HB       VAL  68   7.280   3.405   8.853
  513   HG11  VAL  68          HG11      VAL  68   7.083   1.481  10.185
  514   HG12  VAL  68          HG12      VAL  68   5.947   1.189   8.871
  515   HG13  VAL  68          HG13      VAL  68   5.355   1.721  10.448
  516   HG21  VAL  68          HG21      VAL  68   5.490   3.135   7.312
  517   HG22  VAL  68          HG22      VAL  68   5.143   4.656   8.134
  518   HG23  VAL  68          HG23      VAL  68   4.275   3.191   8.589
  519    H    ALA  69           HN       ALA  69   8.673   4.228  11.039
  520    HA   ALA  69           HA       ALA  69   8.790   2.164  12.941
  521    HB1  ALA  69           HB1      ALA  69  10.734   2.970  11.649
  522    HB2  ALA  69           HB2      ALA  69  11.048   2.998  13.384
  523    HB3  ALA  69           HB3      ALA  69  10.675   4.496  12.529
  524    H    SER  70           HN       SER  70   8.029   5.553  13.162
  525    HA   SER  70           HA       SER  70   8.454   5.810  15.974
  526    HB2  SER  70           HB2      SER  70   6.643   7.476  14.215
  527    HB3  SER  70           HB1      SER  70   7.318   7.932  15.774
  528    HG   SER  70           HG       SER  70   8.994   7.135  13.659
  529    H    LEU  71           HN       LEU  71   5.736   4.838  13.945
  530    HA   LEU  71           HA       LEU  71   4.074   4.417  16.359
  531    HB2  LEU  71           HB2      LEU  71   3.114   4.539  13.497
  532    HB3  LEU  71           HB1      LEU  71   2.160   4.676  14.971
  533    HG   LEU  71           HG       LEU  71   4.331   6.685  14.320
  534   HD11  LEU  71          HD11      LEU  71   2.751   6.601  12.425
  535   HD12  LEU  71          HD12      LEU  71   2.628   8.113  13.329
  536   HD13  LEU  71          HD13      LEU  71   1.412   6.853  13.547
  537   HD21  LEU  71          HD21      LEU  71   2.907   8.106  15.791
  538   HD22  LEU  71          HD22      LEU  71   3.496   6.661  16.613
  539   HD23  LEU  71          HD23      LEU  71   1.830   6.730  16.033
  540    H    THR  72           HN       THR  72   6.190   2.685  15.326
  541    HA   THR  72           HA       THR  72   6.575   0.445  14.930
  542    HB   THR  72           HB       THR  72   3.689   0.044  15.739
  543    HG1  THR  72           HG1      THR  72   4.545  -0.034  17.864
  544   HG21  THR  72          HG21      THR  72   4.384  -2.120  16.407
  545   HG22  THR  72          HG22      THR  72   6.090  -1.680  16.343
  546   HG23  THR  72          HG23      THR  72   5.172  -1.866  14.848
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  14.765  -1.004   0.049
    2    H2   MET   1           HT2      MET   1  14.079  -0.109   1.320
    3    H3   MET   1           HT3      MET   1  15.712   0.110   0.910
    4    HA   MET   1           HA       MET   1  14.184   1.901   0.115
    5    HB2  MET   1           HB2      MET   1  15.151   1.729  -2.290
    6    HB3  MET   1           HB1      MET   1  16.292   1.810  -0.947
    7    HG2  MET   1           HG2      MET   1  16.560  -0.614  -0.971
    8    HG3  MET   1           HG1      MET   1  15.329  -0.765  -2.224
    9    HE1  MET   1           HE1      MET   1  18.353   2.052  -2.068
   10    HE2  MET   1           HE2      MET   1  19.570   0.842  -2.470
   11    HE3  MET   1           HE3      MET   1  18.537   0.608  -1.062
   12    H    ASP   2           HN       ASP   2  13.027  -1.142  -0.131
   13    HA   ASP   2           HA       ASP   2  11.534  -1.085  -2.550
   14    HB2  ASP   2           HB2      ASP   2  11.224  -2.642   0.019
   15    HB3  ASP   2           HB1      ASP   2  10.149  -2.859  -1.361
   16    H    HIS   3           HN       HIS   3   9.502  -0.364  -2.993
   17    HA   HIS   3           HA       HIS   3   8.412   1.671  -1.282
   18    HB2  HIS   3           HB2      HIS   3   6.712   1.917  -3.023
   19    HB3  HIS   3           HB1      HIS   3   8.315   1.820  -3.753
   20    HD2  HIS   3           HD2      HIS   3   4.942  -0.016  -3.937
   21    HE1  HIS   3           HE1      HIS   3   7.760  -2.505  -5.856
   22    HE2  HIS   3           HE2      HIS   3   5.284  -2.128  -5.435
   23    H    VAL   4           HN       VAL   4   8.244  -0.116   0.515
   24    HA   VAL   4           HA       VAL   4   5.615  -1.450   0.354
   25    HB   VAL   4           HB       VAL   4   6.529  -2.831   2.213
   26   HG11  VAL   4          HG11      VAL   4   8.004  -2.778  -0.431
   27   HG12  VAL   4          HG12      VAL   4   6.575  -3.730  -0.025
   28   HG13  VAL   4          HG13      VAL   4   8.126  -4.104   0.728
   29   HG21  VAL   4          HG21      VAL   4   8.871  -2.765   2.749
   30   HG22  VAL   4          HG22      VAL   4   8.277  -1.109   2.891
   31   HG23  VAL   4          HG23      VAL   4   9.195  -1.602   1.465
   32    H    TYR   5           HN       TYR   5   7.536   0.931   2.004
   33    HA   TYR   5           HA       TYR   5   6.217   1.031   4.481
   34    HB2  TYR   5           HB2      TYR   5   7.352   3.399   2.982
   35    HB3  TYR   5           HB1      TYR   5   7.178   3.205   4.727
   36    HD1  TYR   5           HD1      TYR   5   9.009   2.010   1.736
   37    HD2  TYR   5           HD2      TYR   5   8.750   1.947   6.008
   38    HE1  TYR   5           HE1      TYR   5  11.249   0.951   1.858
   39    HE2  TYR   5           HE2      TYR   5  10.978   0.868   6.137
   40    HH   TYR   5           HH       TYR   5  12.556  -0.243   4.894
   41    H    LYS   6           HN       LYS   6   5.499   2.602   1.386
   42    HA   LYS   6           HA       LYS   6   3.419   4.278   2.241
   43    HB2  LYS   6           HB2      LYS   6   4.489   4.388   0.002
   44    HB3  LYS   6           HB1      LYS   6   3.679   2.883  -0.435
   45    HG2  LYS   6           HG2      LYS   6   1.489   3.929  -0.090
   46    HG3  LYS   6           HG1      LYS   6   2.267   5.428   0.425
   47    HD2  LYS   6           HD2      LYS   6   3.334   5.632  -1.794
   48    HD3  LYS   6           HD1      LYS   6   2.538   4.144  -2.309
   49    HE2  LYS   6           HE2      LYS   6   0.336   5.181  -1.931
   50    HE3  LYS   6           HE1      LYS   6   1.123   6.667  -1.399
   51    HZ1  LYS   6           HZ1      LYS   6   2.306   6.468  -3.686
   52    HZ2  LYS   6           HZ2      LYS   6   0.737   7.112  -3.596
   53    HZ3  LYS   6           HZ3      LYS   6   0.972   5.504  -4.092
   54    H    GLY   7           HN       GLY   7   3.397   0.891   1.220
   55    HA2  GLY   7           HA2      GLY   7   0.557   0.590   1.309
   56    HA3  GLY   7           HA1      GLY   7   1.741  -0.715   1.269
   57    H    GLN   8           HN       GLN   8   3.093   0.477   3.691
   58    HA   GLN   8           HA       GLN   8   1.581  -0.991   5.660
   59    HB2  GLN   8           HB2      GLN   8   4.139   0.611   5.794
   60    HB3  GLN   8           HB1      GLN   8   3.436  -0.203   7.192
   61    HG2  GLN   8           HG2      GLN   8   4.109  -1.605   4.592
   62    HG3  GLN   8           HG1      GLN   8   5.183  -1.565   5.987
   63   HE21  GLN   8          HE21      GLN   8   3.143  -3.637   4.537
   64   HE22  GLN   8          HE22      GLN   8   2.491  -4.434   5.888
   65    H    LEU   9           HN       LEU   9   2.517   2.394   5.230
   66    HA   LEU   9           HA       LEU   9   1.188   3.381   7.518
   67    HB2  LEU   9           HB2      LEU   9   2.926   4.641   6.249
   68    HB3  LEU   9           HB1      LEU   9   1.763   4.864   4.944
   69    HG   LEU   9           HG       LEU   9   0.228   6.001   6.556
   70   HD11  LEU   9          HD11      LEU   9   1.598   6.842   8.693
   71   HD12  LEU   9          HD12      LEU   9   2.456   5.320   8.449
   72   HD13  LEU   9          HD13      LEU   9   0.713   5.318   8.717
   73   HD21  LEU   9          HD21      LEU   9   1.736   8.057   6.856
   74   HD22  LEU   9          HD22      LEU   9   1.537   7.451   5.213
   75   HD23  LEU   9          HD23      LEU   9   3.011   7.090   6.112
   76    H    GLN  10           HN       GLN  10   0.146   3.004   4.185
   77    HA   GLN  10           HA       GLN  10  -2.317   4.281   4.550
   78    HB2  GLN  10           HB2      GLN  10  -1.317   3.774   2.326
   79    HB3  GLN  10           HB1      GLN  10  -1.649   2.065   2.600
   80    HG2  GLN  10           HG2      GLN  10  -4.034   2.474   2.676
   81    HG3  GLN  10           HG1      GLN  10  -3.782   4.217   2.602
   82   HE21  GLN  10          HE21      GLN  10  -2.024   4.603   0.549
   83   HE22  GLN  10          HE22      GLN  10  -2.609   3.942  -0.900
   84    H    ALA  11           HN       ALA  11  -1.348   0.906   4.866
   85    HA   ALA  11           HA       ALA  11  -3.956  -0.105   5.406
   86    HB1  ALA  11           HB1      ALA  11  -1.202  -1.206   6.005
   87    HB2  ALA  11           HB2      ALA  11  -2.239  -1.618   4.639
   88    HB3  ALA  11           HB3      ALA  11  -2.700  -2.097   6.273
   89    H    TYR  12           HN       TYR  12  -1.320   1.131   7.402
   90    HA   TYR  12           HA       TYR  12  -2.306   0.341   9.919
   91    HB2  TYR  12           HB2      TYR  12  -0.026   1.158   9.631
   92    HB3  TYR  12           HB1      TYR  12  -0.632   2.746   9.161
   93    HD1  TYR  12           HD1      TYR  12  -0.486   0.294  11.953
   94    HD2  TYR  12           HD2      TYR  12  -1.314   4.348  10.798
   95    HE1  TYR  12           HE1      TYR  12  -0.601   0.951  14.341
   96    HE2  TYR  12           HE2      TYR  12  -1.426   5.004  13.190
   97    HH   TYR  12           HH       TYR  12  -1.638   4.167  15.313
   98    H    ALA  13           HN       ALA  13  -2.680   3.442   8.176
   99    HA   ALA  13           HA       ALA  13  -4.300   4.720  10.055
  100    HB1  ALA  13           HB1      ALA  13  -4.639   6.344   8.423
  101    HB2  ALA  13           HB2      ALA  13  -4.772   5.162   7.122
  102    HB3  ALA  13           HB3      ALA  13  -3.192   5.553   7.794
  103    H    LEU  14           HN       LEU  14  -5.207   2.747   7.235
  104    HA   LEU  14           HA       LEU  14  -7.986   2.980   7.580
  105    HB2  LEU  14           HB2      LEU  14  -6.958   2.156   5.498
  106    HB3  LEU  14           HB1      LEU  14  -6.408   0.710   6.342
  107    HG   LEU  14           HG       LEU  14  -8.816   0.178   6.877
  108   HD11  LEU  14          HD11      LEU  14  -9.986   2.208   6.741
  109   HD12  LEU  14          HD12      LEU  14 -10.453   1.405   5.245
  110   HD13  LEU  14          HD13      LEU  14  -9.219   2.666   5.220
  111   HD21  LEU  14          HD21      LEU  14  -7.949   0.431   3.991
  112   HD22  LEU  14          HD22      LEU  14  -9.395  -0.445   4.493
  113   HD23  LEU  14          HD23      LEU  14  -7.807  -0.977   5.046
  114    H    GLN  15           HN       GLN  15  -5.675   0.546   8.730
  115    HA   GLN  15           HA       GLN  15  -7.581  -1.142   9.951
  116    HB2  GLN  15           HB2      GLN  15  -5.264  -1.836   9.426
  117    HB3  GLN  15           HB1      GLN  15  -4.672  -0.751  10.685
  118    HG2  GLN  15           HG2      GLN  15  -5.888  -1.986  12.391
  119    HG3  GLN  15           HG1      GLN  15  -6.637  -3.008  11.166
  120   HE21  GLN  15          HE21      GLN  15  -5.679  -5.041  11.437
  121   HE22  GLN  15          HE22      GLN  15  -4.006  -5.309  11.521
  122    H    HIS  16           HN       HIS  16  -5.728   1.619  11.130
  123    HA   HIS  16           HA       HIS  16  -6.920   1.400  13.801
  124    HB2  HIS  16           HB2      HIS  16  -4.791   3.191  12.626
  125    HB3  HIS  16           HB1      HIS  16  -5.434   3.402  14.254
  126    HD2  HIS  16           HD2      HIS  16  -4.209   1.786  16.140
  127    HE1  HIS  16           HE1      HIS  16  -2.373  -0.933  13.483
  128    HE2  HIS  16           HE2      HIS  16  -2.606  -0.263  15.921
  129    H    ASN  17           HN       ASN  17  -7.839   2.640  10.891
  130    HA   ASN  17           HA       ASN  17  -9.370   4.223  10.233
  131    HB2  ASN  17           HB2      ASN  17 -10.203   3.985  13.135
  132    HB3  ASN  17           HB1      ASN  17 -11.149   4.759  11.865
  133   HD21  ASN  17          HD21      ASN  17 -10.189   2.657   9.866
  134   HD22  ASN  17          HD22      ASN  17 -11.113   1.281  10.229
  135    H    LEU  18           HN       LEU  18  -7.224   5.523  10.214
  136    HA   LEU  18           HA       LEU  18  -7.554   7.938  11.919
  137    HB2  LEU  18           HB2      LEU  18  -4.978   6.807  10.799
  138    HB3  LEU  18           HB1      LEU  18  -5.137   8.232  11.825
  139    HG   LEU  18           HG       LEU  18  -5.954   5.420  12.624
  140   HD11  LEU  18          HD11      LEU  18  -3.472   5.823  12.376
  141   HD12  LEU  18          HD12      LEU  18  -3.984   5.383  14.005
  142   HD13  LEU  18          HD13      LEU  18  -3.615   7.065  13.621
  143   HD21  LEU  18          HD21      LEU  18  -6.126   8.121  13.956
  144   HD22  LEU  18          HD22      LEU  18  -5.870   6.688  14.954
  145   HD23  LEU  18          HD23      LEU  18  -7.306   6.808  13.940
  146    H    GLU  19           HN       GLU  19  -7.202   9.929  10.941
  147    HA   GLU  19           HA       GLU  19  -8.217  10.468   8.499
  148    HB2  GLU  19           HB2      GLU  19  -5.919  11.924   9.823
  149    HB3  GLU  19           HB1      GLU  19  -6.912  12.566   8.515
  150    HG2  GLU  19           HG2      GLU  19  -7.960  13.465  10.405
  151    HG3  GLU  19           HG1      GLU  19  -8.923  12.019  10.110
  152    H    LEU  20           HN       LEU  20  -7.418  10.895   6.471
  153    HA   LEU  20           HA       LEU  20  -5.623   8.986   5.511
  154    HB2  LEU  20           HB2      LEU  20  -6.858  11.430   4.278
  155    HB3  LEU  20           HB1      LEU  20  -5.641  10.512   3.391
  156    HG   LEU  20           HG       LEU  20  -8.052   9.834   2.950
  157   HD11  LEU  20          HD11      LEU  20  -6.581   7.481   4.137
  158   HD12  LEU  20          HD12      LEU  20  -5.918   8.317   2.732
  159   HD13  LEU  20          HD13      LEU  20  -7.518   7.576   2.648
  160   HD21  LEU  20          HD21      LEU  20  -9.275   8.621   4.615
  161   HD22  LEU  20          HD22      LEU  20  -8.695  10.090   5.404
  162   HD23  LEU  20          HD23      LEU  20  -7.880   8.554   5.693
  163    HA   PRO  21           HA       PRO  21  -1.751  10.942   6.371
  164    HB2  PRO  21           HB2      PRO  21  -0.116   9.446   4.770
  165    HB3  PRO  21           HB1      PRO  21  -0.823   8.806   6.259
  166    HG2  PRO  21           HG2      PRO  21  -1.693   8.403   3.432
  167    HG3  PRO  21           HG1      PRO  21  -1.609   7.232   4.763
  168    HD2  PRO  21           HD2      PRO  21  -3.951   8.429   3.989
  169    HD3  PRO  21           HD1      PRO  21  -3.638   7.890   5.651
  170    H    VAL  22           HN       VAL  22  -0.219  12.319   5.442
  171    HA   VAL  22           HA       VAL  22  -0.631  13.084   2.616
  172    HB   VAL  22           HB       VAL  22  -0.542  14.944   5.008
  173   HG11  VAL  22          HG11      VAL  22  -0.767  16.734   3.185
  174   HG12  VAL  22          HG12      VAL  22  -0.228  15.493   2.052
  175   HG13  VAL  22          HG13      VAL  22   0.826  16.001   3.371
  176   HG21  VAL  22          HG21      VAL  22  -2.588  14.518   2.808
  177   HG22  VAL  22          HG22      VAL  22  -2.708  15.713   4.101
  178   HG23  VAL  22          HG23      VAL  22  -2.751  13.992   4.484
  179    H    TYR  23           HN       TYR  23   1.150  13.442   1.526
  180    HA   TYR  23           HA       TYR  23   3.766  13.406   2.907
  181    HB2  TYR  23           HB2      TYR  23   2.947  12.446   0.186
  182    HB3  TYR  23           HB1      TYR  23   4.618  12.610   0.720
  183    HD1  TYR  23           HD1      TYR  23   1.376  11.103   1.846
  184    HD2  TYR  23           HD2      TYR  23   5.630  10.864   1.811
  185    HE1  TYR  23           HE1      TYR  23   1.260   8.933   3.009
  186    HE2  TYR  23           HE2      TYR  23   5.546   8.672   2.968
  187    HH   TYR  23           HH       TYR  23   3.420   6.733   3.061
  188    H    ALA  24           HN       ALA  24   5.410  14.719   2.160
  189    HA   ALA  24           HA       ALA  24   4.517  17.127   0.662
  190    HB1  ALA  24           HB1      ALA  24   5.943  18.456   1.957
  191    HB2  ALA  24           HB2      ALA  24   7.001  17.110   2.375
  192    HB3  ALA  24           HB3      ALA  24   5.420  17.265   3.146
  193    H    ASN  25           HN       ASN  25   5.780  17.876  -1.024
  194    HA   ASN  25           HA       ASN  25   8.023  16.124  -1.876
  195    HB2  ASN  25           HB2      ASN  25   5.919  17.403  -3.632
  196    HB3  ASN  25           HB1      ASN  25   7.275  16.426  -4.187
  197   HD21  ASN  25          HD21      ASN  25   6.959  14.600  -1.765
  198   HD22  ASN  25          HD22      ASN  25   5.618  13.628  -2.141
  199    H    GLU  26           HN       GLU  26   9.847  17.199  -1.992
  200    HA   GLU  26           HA       GLU  26   9.828  19.998  -2.999
  201    HB2  GLU  26           HB2      GLU  26  11.429  18.997  -0.633
  202    HB3  GLU  26           HB1      GLU  26  11.589  20.584  -1.370
  203    HG2  GLU  26           HG2      GLU  26   9.252  21.092  -0.857
  204    HG3  GLU  26           HG1      GLU  26   9.035  19.483  -0.169
  205    H    ARG  27           HN       ARG  27  11.196  20.271  -4.657
  206    HA   ARG  27           HA       ARG  27  13.472  18.395  -4.961
  207    HB2  ARG  27           HB2      ARG  27  11.589  17.768  -6.462
  208    HB3  ARG  27           HB1      ARG  27  11.663  19.374  -7.186
  209    HG2  ARG  27           HG2      ARG  27  14.073  18.920  -7.773
  210    HG3  ARG  27           HG1      ARG  27  13.847  17.273  -7.191
  211    HD2  ARG  27           HD2      ARG  27  12.430  18.620  -9.492
  212    HD3  ARG  27           HD1      ARG  27  13.529  17.248  -9.568
  213    HE   ARG  27           HE       ARG  27  11.462  16.446  -7.915
  214   HH11  ARG  27          HH21      ARG  27  11.852  17.632 -11.143
  215   HH12  ARG  27          HH22      ARG  27  10.483  16.776 -11.771
  216   HH21  ARG  27          HH11      ARG  27   9.666  15.323  -8.729
  217   HH22  ARG  27          HH12      ARG  27   9.245  15.468 -10.403
  218    H    GLU  28           HN       GLU  28  15.322  19.517  -4.949
  219    HA   GLU  28           HA       GLU  28  15.580  21.841  -6.637
  220    HB2  GLU  28           HB2      GLU  28  14.615  22.827  -4.568
  221    HB3  GLU  28           HB1      GLU  28  15.961  22.156  -3.648
  222    HG2  GLU  28           HG2      GLU  28  17.558  23.464  -4.965
  223    HG3  GLU  28           HG1      GLU  28  16.252  24.084  -5.972
  224    H    GLY  29           HN       GLY  29  17.641  21.980  -7.355
  225    HA2  GLY  29           HA2      GLY  29  20.001  21.774  -6.244
  226    HA3  GLY  29           HA1      GLY  29  19.577  20.070  -6.251
  227    HA   PRO  30           HA       PRO  30  21.391  21.928 -10.462
  228    HB2  PRO  30           HB2      PRO  30  23.648  20.157  -9.583
  229    HB3  PRO  30           HB1      PRO  30  23.712  21.702 -10.442
  230    HG2  PRO  30           HG2      PRO  30  24.285  21.463  -7.820
  231    HG3  PRO  30           HG1      PRO  30  23.597  22.932  -8.536
  232    HD2  PRO  30           HD2      PRO  30  22.301  20.973  -6.738
  233    HD3  PRO  30           HD1      PRO  30  21.838  22.643  -7.117
  234    HA   PRO  31           HA       PRO  31  20.000  18.254 -12.528
  235    HB2  PRO  31           HB2      PRO  31  21.889  18.038 -14.594
  236    HB3  PRO  31           HB1      PRO  31  20.476  19.109 -14.620
  237    HG2  PRO  31           HG2      PRO  31  23.307  19.739 -13.906
  238    HG3  PRO  31           HG1      PRO  31  22.146  20.690 -14.850
  239    HD2  PRO  31           HD2      PRO  31  22.664  21.318 -12.311
  240    HD3  PRO  31           HD1      PRO  31  21.015  21.447 -12.945
  241    H    HIS  32           HN       HIS  32  23.539  18.356 -12.088
  242    HA   HIS  32           HA       HIS  32  23.689  15.446 -11.914
  243    HB2  HIS  32           HB2      HIS  32  25.812  17.590 -11.671
  244    HB3  HIS  32           HB1      HIS  32  26.123  15.854 -11.639
  245    HD2  HIS  32           HD2      HIS  32  25.991  18.600 -14.225
  246    HE1  HIS  32           HE1      HIS  32  25.139  15.054 -16.351
  247    HE2  HIS  32           HE2      HIS  32  25.753  17.508 -16.584
  248    H    ALA  33           HN       ALA  33  22.759  17.798  -9.895
  249    HA   ALA  33           HA       ALA  33  23.486  16.212  -7.515
  250    HB1  ALA  33           HB1      ALA  33  25.055  18.219  -7.847
  251    HB2  ALA  33           HB2      ALA  33  24.276  18.052  -6.274
  252    HB3  ALA  33           HB3      ALA  33  23.661  19.218  -7.443
  253    HA   PRO  34           HA       PRO  34  19.077  17.748  -7.573
  254    HB2  PRO  34           HB2      PRO  34  17.790  15.389  -8.020
  255    HB3  PRO  34           HB1      PRO  34  18.399  16.407  -9.342
  256    HG2  PRO  34           HG2      PRO  34  19.559  13.914  -8.183
  257    HG3  PRO  34           HG1      PRO  34  19.524  14.466  -9.867
  258    HD2  PRO  34           HD2      PRO  34  21.731  14.706  -8.178
  259    HD3  PRO  34           HD1      PRO  34  21.460  15.688  -9.632
  260    H    ARG  35           HN       ARG  35  17.792  17.730  -5.735
  261    HA   ARG  35           HA       ARG  35  18.345  15.625  -3.716
  262    HB2  ARG  35           HB2      ARG  35  17.994  18.578  -3.163
  263    HB3  ARG  35           HB1      ARG  35  18.265  17.314  -1.964
  264    HG2  ARG  35           HG2      ARG  35  20.437  16.780  -3.036
  265    HG3  ARG  35           HG1      ARG  35  20.177  18.092  -4.186
  266    HD2  ARG  35           HD2      ARG  35  20.294  18.427  -1.178
  267    HD3  ARG  35           HD1      ARG  35  21.623  18.776  -2.280
  268    HE   ARG  35           HE       ARG  35  19.225  20.374  -1.892
  269   HH11  ARG  35          HH21      ARG  35  21.934  19.585  -3.894
  270   HH12  ARG  35          HH22      ARG  35  21.930  21.100  -4.733
  271   HH21  ARG  35          HH11      ARG  35  19.211  22.361  -2.987
  272   HH22  ARG  35          HH12      ARG  35  20.387  22.672  -4.221
  273    H    PHE  36           HN       PHE  36  16.547  14.616  -3.007
  274    HA   PHE  36           HA       PHE  36  13.951  16.011  -3.503
  275    HB2  PHE  36           HB2      PHE  36  14.525  13.054  -3.284
  276    HB3  PHE  36           HB1      PHE  36  12.968  13.799  -3.644
  277    HD1  PHE  36           HD2      PHE  36  12.694  15.132  -5.706
  278    HD2  PHE  36           HD1      PHE  36  16.185  12.802  -4.977
  279    HE1  PHE  36           HE2      PHE  36  13.242  15.212  -8.123
  280    HE2  PHE  36           HE1      PHE  36  16.786  12.922  -7.344
  281    HZ   PHE  36           HZ       PHE  36  15.312  14.109  -8.958
  282    H    ARG  37           HN       ARG  37  13.500  16.968  -1.569
  283    HA   ARG  37           HA       ARG  37  13.732  15.328   0.888
  284    HB2  ARG  37           HB2      ARG  37  13.347  18.306   0.463
  285    HB3  ARG  37           HB1      ARG  37  13.367  17.535   2.045
  286    HG2  ARG  37           HG2      ARG  37  15.653  17.168   0.107
  287    HG3  ARG  37           HG1      ARG  37  15.580  18.580   1.156
  288    HD2  ARG  37           HD2      ARG  37  15.323  16.959   3.112
  289    HD3  ARG  37           HD1      ARG  37  15.720  15.669   1.982
  290    HE   ARG  37           HE       ARG  37  17.718  17.590   1.739
  291   HH11  ARG  37          HH21      ARG  37  16.349  15.492   4.127
  292   HH12  ARG  37          HH22      ARG  37  17.826  15.302   5.008
  293   HH21  ARG  37          HH11      ARG  37  19.655  17.353   2.891
  294   HH22  ARG  37          HH12      ARG  37  19.699  16.355   4.306
  295    H    CYS  38           HN       CYS  38  11.949  14.140   1.102
  296    HA   CYS  38           HA       CYS  38   9.315  15.477   0.794
  297    HB2  CYS  38           HB2      CYS  38   9.983  12.534   0.636
  298    HB3  CYS  38           HB1      CYS  38   8.386  13.250   0.428
  299    HG   CYS  38           HG       CYS  38  10.577  14.289  -1.495
  300    H    ASN  39           HN       ASN  39   8.013  15.601   2.474
  301    HA   ASN  39           HA       ASN  39   8.876  14.315   5.019
  302    HB2  ASN  39           HB2      ASN  39   7.129  16.759   4.650
  303    HB3  ASN  39           HB1      ASN  39   7.700  16.099   6.176
  304   HD21  ASN  39          HD21      ASN  39   8.316  18.789   5.153
  305   HD22  ASN  39          HD22      ASN  39  10.001  18.856   4.960
  306    H    VAL  40           HN       VAL  40   7.199  13.571   6.459
  307    HA   VAL  40           HA       VAL  40   4.701  12.784   5.052
  308    HB   VAL  40           HB       VAL  40   6.005  10.793   5.271
  309   HG11  VAL  40          HG11      VAL  40   7.105  10.113   7.322
  310   HG12  VAL  40          HG12      VAL  40   6.389  11.457   8.209
  311   HG13  VAL  40          HG13      VAL  40   7.601  11.765   6.971
  312   HG21  VAL  40          HG21      VAL  40   3.564  10.789   6.089
  313   HG22  VAL  40          HG22      VAL  40   4.232  10.742   7.721
  314   HG23  VAL  40          HG23      VAL  40   4.572   9.431   6.589
  315    H    THR  41           HN       THR  41   2.985  13.639   5.924
  316    HA   THR  41           HA       THR  41   3.068  14.530   8.754
  317    HB   THR  41           HB       THR  41   1.202  15.274   6.495
  318    HG1  THR  41           HG1      THR  41   2.584  16.802   6.209
  319   HG21  THR  41          HG21      THR  41   0.476  17.026   8.231
  320   HG22  THR  41          HG22      THR  41   1.245  15.986   9.431
  321   HG23  THR  41          HG23      THR  41  -0.107  15.380   8.473
  322    H    PHE  42           HN       PHE  42   2.134  13.266  10.219
  323    HA   PHE  42           HA       PHE  42  -0.377  11.890   9.544
  324    HB2  PHE  42           HB2      PHE  42   1.810  10.403   9.287
  325    HB3  PHE  42           HB1      PHE  42   1.719  10.324  11.046
  326    HD1  PHE  42           HD1      PHE  42  -0.576  10.129   8.120
  327    HD2  PHE  42           HD2      PHE  42   0.499   8.505  11.932
  328    HE1  PHE  42           HE1      PHE  42  -2.383   8.455   7.900
  329    HE2  PHE  42           HE2      PHE  42  -1.300   6.800  11.702
  330    HZ   PHE  42           HZ       PHE  42  -2.740   6.786   9.699
  331    H    CYS  43           HN       CYS  43  -1.789  11.784  11.246
  332    HA   CYS  43           HA       CYS  43  -2.706  12.555  13.215
  333    HB2  CYS  43           HB2      CYS  43  -1.687  10.368  13.821
  334    HB3  CYS  43           HB1      CYS  43  -0.226  11.220  14.320
  335    HG   CYS  43           HG       CYS  43  -2.406  12.521  15.806
  336    H    GLY  44           HN       GLY  44  -0.960  14.478  11.892
  337    HA2  GLY  44           HA2      GLY  44  -0.288  16.631  12.378
  338    HA3  GLY  44           HA1      GLY  44  -0.669  16.326  14.070
  339    H    GLN  45           HN       GLN  45   1.483  14.269  12.219
  340    HA   GLN  45           HA       GLN  45   3.807  15.349  13.724
  341    HB2  GLN  45           HB2      GLN  45   3.193  12.457  13.062
  342    HB3  GLN  45           HB1      GLN  45   4.655  13.038  13.853
  343    HG2  GLN  45           HG2      GLN  45   1.849  13.442  14.927
  344    HG3  GLN  45           HG1      GLN  45   2.960  12.188  15.478
  345   HE21  GLN  45          HE21      GLN  45   1.833  15.103  16.449
  346   HE22  GLN  45          HE22      GLN  45   3.208  15.714  17.235
  347    H    THR  46           HN       THR  46   5.256  16.181  12.396
  348    HA   THR  46           HA       THR  46   5.467  15.128   9.638
  349    HB   THR  46           HB       THR  46   6.282  17.275   8.973
  350    HG1  THR  46           HG1      THR  46   7.517  18.108  10.467
  351   HG21  THR  46          HG21      THR  46   3.804  17.041   9.406
  352   HG22  THR  46          HG22      THR  46   4.407  18.696   9.492
  353   HG23  THR  46          HG23      THR  46   4.072  17.803  10.975
  354    H    PHE  47           HN       PHE  47   6.948  13.550   9.782
  355    HA   PHE  47           HA       PHE  47   9.557  14.156  11.046
  356    HB2  PHE  47           HB2      PHE  47   8.051  11.594  10.559
  357    HB3  PHE  47           HB1      PHE  47   9.804  11.561  10.737
  358    HD1  PHE  47           HD1      PHE  47   6.908  13.320  12.389
  359    HD2  PHE  47           HD2      PHE  47  10.565  11.113  12.899
  360    HE1  PHE  47           HE1      PHE  47   6.676  13.467  14.863
  361    HE2  PHE  47           HE2      PHE  47  10.315  11.251  15.353
  362    HZ   PHE  47           HZ       PHE  47   8.373  12.428  16.337
  363    H    GLN  48           HN       GLN  48  11.423  13.935   9.941
  364    HA   GLN  48           HA       GLN  48  11.443  13.003   7.188
  365    HB2  GLN  48           HB2      GLN  48  12.410  15.138   6.348
  366    HB3  GLN  48           HB1      GLN  48  10.730  15.294   6.864
  367    HG2  GLN  48           HG2      GLN  48  11.475  16.176   9.043
  368    HG3  GLN  48           HG1      GLN  48  13.155  16.027   8.529
  369   HE21  GLN  48          HE21      GLN  48  12.792  18.541   9.104
  370   HE22  GLN  48          HE22      GLN  48  12.404  19.514   7.770
  371    H    SER  49           HN       SER  49  13.559  12.716   6.347
  372    HA   SER  49           HA       SER  49  15.523  12.137   8.404
  373    HB2  SER  49           HB2      SER  49  16.643  10.893   6.775
  374    HB3  SER  49           HB1      SER  49  14.963  10.752   6.262
  375    HG   SER  49           HG       SER  49  15.904  12.977   5.218
  376    H    SER  50           HN       SER  50  17.788  12.828   8.155
  377    HA   SER  50           HA       SER  50  17.921  15.692   7.535
  378    HB2  SER  50           HB2      SER  50  20.011  15.661   8.762
  379    HB3  SER  50           HB1      SER  50  18.775  14.836   9.708
  380    HG   SER  50           HG       SER  50  19.612  12.865   8.959
  381    H    GLU  51           HN       GLU  51  18.422  12.856   5.903
  382    HA   GLU  51           HA       GLU  51  20.638  13.949   4.264
  383    HB2  GLU  51           HB2      GLU  51  21.081  11.742   5.265
  384    HB3  GLU  51           HB1      GLU  51  19.638  11.101   4.477
  385    HG2  GLU  51           HG2      GLU  51  20.565  11.563   2.281
  386    HG3  GLU  51           HG1      GLU  51  21.956  12.375   2.997
  387    H    PHE  52           HN       PHE  52  20.471  13.828   1.997
  388    HA   PHE  52           HA       PHE  52  17.704  14.011   1.008
  389    HB2  PHE  52           HB2      PHE  52  18.902  15.083  -1.010
  390    HB3  PHE  52           HB1      PHE  52  18.840  16.012   0.488
  391    HD1  PHE  52           HD2      PHE  52  20.741  15.593   2.131
  392    HD2  PHE  52           HD1      PHE  52  21.009  14.756  -2.028
  393    HE1  PHE  52           HE2      PHE  52  23.240  15.720   2.289
  394    HE2  PHE  52           HE1      PHE  52  23.482  14.867  -1.913
  395    HZ   PHE  52           HZ       PHE  52  24.613  15.353   0.242
  396    H    PHE  53           HN       PHE  53  16.947  12.492  -0.083
  397    HA   PHE  53           HA       PHE  53  18.559  10.272  -0.952
  398    HB2  PHE  53           HB2      PHE  53  15.684  10.543  -1.795
  399    HB3  PHE  53           HB1      PHE  53  16.599   9.100  -1.345
  400    HD1  PHE  53           HD1      PHE  53  15.150  12.227  -0.019
  401    HD2  PHE  53           HD2      PHE  53  16.672   8.349   0.889
  402    HE1  PHE  53           HE1      PHE  53  14.337  12.478   2.299
  403    HE2  PHE  53           HE2      PHE  53  15.895   8.611   3.202
  404    HZ   PHE  53           HZ       PHE  53  14.712  10.650   3.922
  405    HA   PRO  54           HA       PRO  54  19.191  11.687  -5.127
  406    HB2  PRO  54           HB2      PRO  54  19.798   9.345  -6.391
  407    HB3  PRO  54           HB1      PRO  54  20.890  10.116  -5.226
  408    HG2  PRO  54           HG2      PRO  54  19.094   7.772  -4.861
  409    HG3  PRO  54           HG1      PRO  54  20.699   8.086  -4.178
  410    HD2  PRO  54           HD2      PRO  54  18.294   8.455  -2.806
  411    HD3  PRO  54           HD1      PRO  54  19.844   9.204  -2.375
  412    H    THR  55           HN       THR  55  16.546   9.768  -4.264
  413    HA   THR  55           HA       THR  55  15.251  10.270  -6.883
  414    HB   THR  55           HB       THR  55  14.575   8.073  -7.164
  415    HG1  THR  55           HG1      THR  55  14.145   6.726  -5.408
  416   HG21  THR  55          HG21      THR  55  16.340   6.560  -6.665
  417   HG22  THR  55          HG22      THR  55  16.827   7.488  -5.249
  418   HG23  THR  55          HG23      THR  55  17.116   8.131  -6.865
  419    H    LEU  56           HN       LEU  56  13.021  10.492  -6.806
  420    HA   LEU  56           HA       LEU  56  12.060  11.883  -4.563
  421    HB2  LEU  56           HB2      LEU  56  11.211  11.522  -7.187
  422    HB3  LEU  56           HB1      LEU  56   9.914  10.804  -6.238
  423    HG   LEU  56           HG       LEU  56  11.056  13.564  -5.710
  424   HD11  LEU  56          HD11      LEU  56   8.612  12.700  -7.240
  425   HD12  LEU  56          HD12      LEU  56  10.026  13.539  -7.875
  426   HD13  LEU  56          HD13      LEU  56   8.954  14.357  -6.743
  427   HD21  LEU  56          HD21      LEU  56   8.466  12.261  -4.799
  428   HD22  LEU  56          HD22      LEU  56   9.098  13.827  -4.284
  429   HD23  LEU  56          HD23      LEU  56   9.922  12.341  -3.810
  430    H    LYS  57           HN       LYS  57  10.879   8.725  -5.823
  431    HA   LYS  57           HA       LYS  57   9.203   8.122  -3.735
  432    HB2  LYS  57           HB2      LYS  57  10.862   6.325  -5.506
  433    HB3  LYS  57           HB1      LYS  57   9.610   5.728  -4.418
  434    HG2  LYS  57           HG2      LYS  57   7.944   7.154  -5.575
  435    HG3  LYS  57           HG1      LYS  57   9.204   7.717  -6.674
  436    HD2  LYS  57           HD2      LYS  57   9.584   5.372  -7.411
  437    HD3  LYS  57           HD1      LYS  57   8.268   4.849  -6.358
  438    HE2  LYS  57           HE2      LYS  57   7.988   6.844  -8.624
  439    HE3  LYS  57           HE1      LYS  57   7.508   5.149  -8.703
  440    HZ1  LYS  57           HZ1      LYS  57   5.550   6.012  -8.037
  441    HZ2  LYS  57           HZ2      LYS  57   6.255   7.373  -7.305
  442    HZ3  LYS  57           HZ3      LYS  57   6.249   5.878  -6.498
  443    H    SER  58           HN       SER  58  12.695   7.716  -3.965
  444    HA   SER  58           HA       SER  58  13.095   6.001  -1.794
  445    HB2  SER  58           HB2      SER  58  14.798   8.206  -2.949
  446    HB3  SER  58           HB1      SER  58  15.346   7.164  -1.638
  447    HG   SER  58           HG       SER  58  14.294   5.599  -3.469
  448    H    ALA  59           HN       ALA  59  12.552   9.493  -1.915
  449    HA   ALA  59           HA       ALA  59  13.162   9.966   0.836
  450    HB1  ALA  59           HB1      ALA  59  13.141  11.686  -1.010
  451    HB2  ALA  59           HB2      ALA  59  12.287  12.160   0.461
  452    HB3  ALA  59           HB3      ALA  59  11.384  11.614  -0.954
  453    H    GLU  60           HN       GLU  60  10.101   9.593  -0.951
  454    HA   GLU  60           HA       GLU  60   8.375   9.911   1.264
  455    HB2  GLU  60           HB2      GLU  60   8.024   8.403  -1.337
  456    HB3  GLU  60           HB1      GLU  60   6.726   8.691  -0.178
  457    HG2  GLU  60           HG2      GLU  60   7.014  11.108  -0.401
  458    HG3  GLU  60           HG1      GLU  60   8.384  10.868  -1.484
  459    H    HIS  61           HN       HIS  61   9.884   7.032  -0.170
  460    HA   HIS  61           HA       HIS  61   8.591   5.142   1.506
  461    HB2  HIS  61           HB2      HIS  61  11.224   4.990   0.021
  462    HB3  HIS  61           HB1      HIS  61  10.422   3.618   0.785
  463    HD2  HIS  61           HD2      HIS  61  10.722   4.217  -2.643
  464    HE1  HIS  61           HE1      HIS  61   6.511   4.149  -2.344
  465    HE2  HIS  61           HE2      HIS  61   8.472   3.993  -3.951
  466    H    ALA  62           HN       ALA  62  11.755   6.756   1.712
  467    HA   ALA  62           HA       ALA  62  12.565   5.471   4.116
  468    HB1  ALA  62           HB1      ALA  62  13.454   8.156   3.038
  469    HB2  ALA  62           HB2      ALA  62  14.124   6.603   2.538
  470    HB3  ALA  62           HB3      ALA  62  14.316   7.152   4.203
  471    H    ALA  63           HN       ALA  63  10.849   8.478   3.425
  472    HA   ALA  63           HA       ALA  63  10.872   9.568   6.031
  473    HB1  ALA  63           HB1      ALA  63   8.788  10.773   5.226
  474    HB2  ALA  63           HB2      ALA  63   8.927   9.848   3.732
  475    HB3  ALA  63           HB3      ALA  63  10.208  10.967   4.199
  476    H    ALA  64           HN       ALA  64   8.450   7.489   4.392
  477    HA   ALA  64           HA       ALA  64   6.624   7.359   6.503
  478    HB1  ALA  64           HB1      ALA  64   5.902   6.539   4.413
  479    HB2  ALA  64           HB2      ALA  64   6.033   5.101   5.423
  480    HB3  ALA  64           HB3      ALA  64   7.298   5.476   4.251
  481    H    LYS  65           HN       LYS  65   9.538   5.439   5.842
  482    HA   LYS  65           HA       LYS  65   9.234   3.446   7.754
  483    HB2  LYS  65           HB2      LYS  65  11.045   3.520   6.065
  484    HB3  LYS  65           HB1      LYS  65  11.799   4.837   6.961
  485    HG2  LYS  65           HG2      LYS  65  12.065   3.410   8.918
  486    HG3  LYS  65           HG1      LYS  65  11.224   2.090   8.106
  487    HD2  LYS  65           HD2      LYS  65  12.990   2.045   6.371
  488    HD3  LYS  65           HD1      LYS  65  13.835   3.347   7.210
  489    HE2  LYS  65           HE2      LYS  65  14.068   1.928   9.206
  490    HE3  LYS  65           HE1      LYS  65  13.206   0.625   8.388
  491    HZ1  LYS  65           HZ1      LYS  65  15.049   1.048   6.593
  492    HZ2  LYS  65           HZ2      LYS  65  15.342   0.045   7.933
  493    HZ3  LYS  65           HZ3      LYS  65  15.910   1.647   7.926
  494    H    ILE  66           HN       ILE  66  10.578   6.735   8.102
  495    HA   ILE  66           HA       ILE  66  11.277   6.446  10.836
  496    HB   ILE  66           HB       ILE  66  10.610   8.988   9.323
  497   HG12  ILE  66          HG12      ILE  66  13.287   7.612   9.701
  498   HG13  ILE  66          HG11      ILE  66  12.338   7.537   8.216
  499   HG21  ILE  66          HG21      ILE  66  10.798   9.071  11.858
  500   HG22  ILE  66          HG22      ILE  66  11.924  10.095  10.972
  501   HG23  ILE  66          HG23      ILE  66  12.475   8.569  11.662
  502   HD11  ILE  66          HD11      ILE  66  13.352  10.086   9.514
  503   HD12  ILE  66          HD12      ILE  66  12.435   9.985   8.012
  504   HD13  ILE  66          HD13      ILE  66  14.061   9.311   8.099
  505    H    ALA  67           HN       ALA  67   8.397   7.719   9.179
  506    HA   ALA  67           HA       ALA  67   7.068   8.640  11.502
  507    HB1  ALA  67           HB1      ALA  67   5.008   8.412   9.981
  508    HB2  ALA  67           HB2      ALA  67   6.141   7.874   8.741
  509    HB3  ALA  67           HB3      ALA  67   6.299   9.484   9.439
  510    H    VAL  68           HN       VAL  68   6.727   5.627   9.663
  511    HA   VAL  68           HA       VAL  68   4.748   4.494  11.366
  512    HB   VAL  68           HB       VAL  68   5.205   3.772   9.005
  513   HG11  VAL  68          HG11      VAL  68   7.748   3.739   9.482
  514   HG12  VAL  68          HG12      VAL  68   7.089   2.472   8.455
  515   HG13  VAL  68          HG13      VAL  68   7.468   2.136  10.146
  516   HG21  VAL  68          HG21      VAL  68   4.714   1.442   9.431
  517   HG22  VAL  68          HG22      VAL  68   3.936   2.397  10.694
  518   HG23  VAL  68          HG23      VAL  68   5.437   1.536  11.036
  519    H    ALA  69           HN       ALA  69   8.241   4.598  11.451
  520    HA   ALA  69           HA       ALA  69   8.580   2.468  13.327
  521    HB1  ALA  69           HB1      ALA  69  10.445   3.100  11.944
  522    HB2  ALA  69           HB2      ALA  69  10.864   3.475  13.616
  523    HB3  ALA  69           HB3      ALA  69  10.374   4.766  12.517
  524    H    SER  70           HN       SER  70   7.820   5.858  13.566
  525    HA   SER  70           HA       SER  70   8.527   6.146  16.334
  526    HB2  SER  70           HB2      SER  70   7.308   8.280  16.188
  527    HB3  SER  70           HB1      SER  70   8.418   8.086  14.835
  528    HG   SER  70           HG       SER  70   5.854   8.553  14.720
  529    H    LEU  71           HN       LEU  71   5.592   5.391  14.551
  530    HA   LEU  71           HA       LEU  71   3.811   5.475  16.770
  531    HB2  LEU  71           HB2      LEU  71   3.512   3.870  14.223
  532    HB3  LEU  71           HB1      LEU  71   2.224   4.353  15.330
  533    HG   LEU  71           HG       LEU  71   3.994   6.255  13.772
  534   HD11  LEU  71          HD11      LEU  71   2.067   6.679  12.388
  535   HD12  LEU  71          HD12      LEU  71   1.048   5.664  13.409
  536   HD13  LEU  71          HD13      LEU  71   2.317   4.933  12.426
  537   HD21  LEU  71          HD21      LEU  71   3.364   7.458  15.686
  538   HD22  LEU  71          HD22      LEU  71   1.812   6.631  15.818
  539   HD23  LEU  71          HD23      LEU  71   2.060   7.852  14.568
  540    H    THR  72           HN       THR  72   5.947   3.050  15.489
  541    HA   THR  72           HA       THR  72   4.811   0.848  16.935
  542    HB   THR  72           HB       THR  72   7.026  -0.251  16.354
  543    HG1  THR  72           HG1      THR  72   8.463   1.271  16.011
  544   HG21  THR  72          HG21      THR  72   5.037  -0.480  14.938
  545   HG22  THR  72          HG22      THR  72   6.484  -0.343  13.938
  546   HG23  THR  72          HG23      THR  72   5.415   1.046  14.137
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  13.916  -0.224  -2.986
    2    H2   MET   1           HT2      MET   1  12.331   0.375  -2.877
    3    H3   MET   1           HT3      MET   1  13.340   0.860  -4.156
    4    HA   MET   1           HA       MET   1  12.316  -0.720  -5.331
    5    HB2  MET   1           HB2      MET   1  14.101  -2.342  -3.498
    6    HB3  MET   1           HB1      MET   1  13.306  -3.017  -4.919
    7    HG2  MET   1           HG2      MET   1  14.438  -1.399  -6.362
    8    HG3  MET   1           HG1      MET   1  15.175  -0.631  -4.957
    9    HE1  MET   1           HE1      MET   1  16.027  -4.664  -6.868
   10    HE2  MET   1           HE2      MET   1  14.590  -3.650  -6.981
   11    HE3  MET   1           HE3      MET   1  14.808  -4.707  -5.587
   12    H    ASP   2           HN       ASP   2  12.395  -1.926  -1.968
   13    HA   ASP   2           HA       ASP   2  10.108  -3.558  -2.180
   14    HB2  ASP   2           HB2      ASP   2  11.444  -2.226   0.177
   15    HB3  ASP   2           HB1      ASP   2  10.057  -3.298   0.355
   16    H    HIS   3           HN       HIS   3  10.508  -0.193  -1.130
   17    HA   HIS   3           HA       HIS   3   8.927   1.401  -0.551
   18    HB2  HIS   3           HB2      HIS   3   7.870   0.281  -3.148
   19    HB3  HIS   3           HB1      HIS   3   7.315   1.789  -2.421
   20    HD2  HIS   3           HD2      HIS   3   9.327   3.875  -2.354
   21    HE1  HIS   3           HE1      HIS   3  11.924   1.926  -5.051
   22    HE2  HIS   3           HE2      HIS   3  11.448   4.117  -3.858
   23    H    VAL   4           HN       VAL   4   8.428  -0.941   0.911
   24    HA   VAL   4           HA       VAL   4   5.618  -1.605   0.690
   25    HB   VAL   4           HB       VAL   4   6.139  -2.935   2.767
   26   HG11  VAL   4          HG11      VAL   4   7.682  -4.520   1.503
   27   HG12  VAL   4          HG12      VAL   4   7.729  -3.304   0.226
   28   HG13  VAL   4          HG13      VAL   4   6.201  -4.065   0.661
   29   HG21  VAL   4          HG21      VAL   4   9.002  -2.176   2.140
   30   HG22  VAL   4          HG22      VAL   4   8.416  -3.134   3.501
   31   HG23  VAL   4          HG23      VAL   4   8.068  -1.403   3.426
   32    H    TYR   5           HN       TYR   5   7.519   0.773   2.256
   33    HA   TYR   5           HA       TYR   5   6.089   1.179   4.634
   34    HB2  TYR   5           HB2      TYR   5   7.325   3.414   3.031
   35    HB3  TYR   5           HB1      TYR   5   7.216   3.234   4.784
   36    HD1  TYR   5           HD1      TYR   5   8.844   1.862   1.726
   37    HD2  TYR   5           HD2      TYR   5   8.849   2.050   6.001
   38    HE1  TYR   5           HE1      TYR   5  11.052   0.733   1.769
   39    HE2  TYR   5           HE2      TYR   5  11.053   0.930   6.059
   40    HH   TYR   5           HH       TYR   5  13.089   0.761   3.659
   41    H    LYS   6           HN       LYS   6   5.621   2.502   1.370
   42    HA   LYS   6           HA       LYS   6   3.572   4.325   1.969
   43    HB2  LYS   6           HB2      LYS   6   4.782   4.214  -0.200
   44    HB3  LYS   6           HB1      LYS   6   3.921   2.720  -0.574
   45    HG2  LYS   6           HG2      LYS   6   1.776   3.883  -0.455
   46    HG3  LYS   6           HG1      LYS   6   2.585   5.377   0.021
   47    HD2  LYS   6           HD2      LYS   6   3.812   5.389  -2.127
   48    HD3  LYS   6           HD1      LYS   6   2.970   3.916  -2.609
   49    HE2  LYS   6           HE2      LYS   6   1.625   6.547  -1.926
   50    HE3  LYS   6           HE1      LYS   6   1.893   5.940  -3.560
   51    HZ1  LYS   6           HZ1      LYS   6   0.049   4.972  -1.495
   52    HZ2  LYS   6           HZ2      LYS   6   0.688   3.851  -2.600
   53    HZ3  LYS   6           HZ3      LYS   6  -0.208   5.183  -3.157
   54    H    GLY   7           HN       GLY   7   3.442   0.887   1.117
   55    HA2  GLY   7           HA2      GLY   7   0.562   0.782   1.219
   56    HA3  GLY   7           HA1      GLY   7   1.655  -0.588   1.052
   57    H    GLN   8           HN       GLN   8   3.172   0.400   3.494
   58    HA   GLN   8           HA       GLN   8   1.663  -1.121   5.412
   59    HB2  GLN   8           HB2      GLN   8   4.156  -1.176   5.260
   60    HB3  GLN   8           HB1      GLN   8   4.190   0.493   5.823
   61    HG2  GLN   8           HG2      GLN   8   4.557  -0.981   7.721
   62    HG3  GLN   8           HG1      GLN   8   2.971  -0.232   7.890
   63   HE21  GLN   8          HE21      GLN   8   1.900  -1.934   9.022
   64   HE22  GLN   8          HE22      GLN   8   1.676  -3.484   8.364
   65    H    LEU   9           HN       LEU   9   2.718   2.250   5.159
   66    HA   LEU   9           HA       LEU   9   1.491   3.147   7.529
   67    HB2  LEU   9           HB2      LEU   9   3.259   4.392   6.248
   68    HB3  LEU   9           HB1      LEU   9   2.026   4.784   5.052
   69    HG   LEU   9           HG       LEU   9   0.666   5.848   6.864
   70   HD11  LEU   9          HD11      LEU   9   1.280   5.002   8.931
   71   HD12  LEU   9          HD12      LEU   9   2.257   6.466   8.933
   72   HD13  LEU   9          HD13      LEU   9   2.993   4.920   8.517
   73   HD21  LEU   9          HD21      LEU   9   3.464   6.848   6.278
   74   HD22  LEU   9          HD22      LEU   9   2.295   7.816   7.179
   75   HD23  LEU   9          HD23      LEU   9   1.948   7.336   5.519
   76    H    GLN  10           HN       GLN  10   0.369   2.996   4.217
   77    HA   GLN  10           HA       GLN  10  -2.019   4.368   4.676
   78    HB2  GLN  10           HB2      GLN  10  -1.146   3.879   2.421
   79    HB3  GLN  10           HB1      GLN  10  -1.478   2.166   2.673
   80    HG2  GLN  10           HG2      GLN  10  -3.862   2.600   2.852
   81    HG3  GLN  10           HG1      GLN  10  -3.589   4.341   2.772
   82   HE21  GLN  10          HE21      GLN  10  -2.032   4.836   0.661
   83   HE22  GLN  10          HE22      GLN  10  -2.618   4.132  -0.768
   84    H    ALA  11           HN       ALA  11  -1.218   0.942   4.935
   85    HA   ALA  11           HA       ALA  11  -3.851   0.047   5.508
   86    HB1  ALA  11           HB1      ALA  11  -2.786  -2.028   6.201
   87    HB2  ALA  11           HB2      ALA  11  -1.218  -1.225   6.281
   88    HB3  ALA  11           HB3      ALA  11  -2.020  -1.437   4.725
   89    H    TYR  12           HN       TYR  12  -1.173   1.192   7.491
   90    HA   TYR  12           HA       TYR  12  -2.157   0.427  10.015
   91    HB2  TYR  12           HB2      TYR  12   0.132   1.208   9.720
   92    HB3  TYR  12           HB1      TYR  12  -0.449   2.802   9.235
   93    HD1  TYR  12           HD1      TYR  12  -0.149   0.424  12.049
   94    HD2  TYR  12           HD2      TYR  12  -1.291   4.390  10.857
   95    HE1  TYR  12           HE1      TYR  12  -0.251   1.110  14.429
   96    HE2  TYR  12           HE2      TYR  12  -1.394   5.074  13.239
   97    HH   TYR  12           HH       TYR  12  -1.678   4.048  15.433
   98    H    ALA  13           HN       ALA  13  -2.480   3.541   8.287
   99    HA   ALA  13           HA       ALA  13  -4.060   4.858  10.168
  100    HB1  ALA  13           HB1      ALA  13  -4.383   6.473   8.523
  101    HB2  ALA  13           HB2      ALA  13  -4.584   5.280   7.239
  102    HB3  ALA  13           HB3      ALA  13  -2.978   5.632   7.864
  103    H    LEU  14           HN       LEU  14  -5.044   2.910   7.361
  104    HA   LEU  14           HA       LEU  14  -7.820   3.162   7.756
  105    HB2  LEU  14           HB2      LEU  14  -6.803   2.344   5.654
  106    HB3  LEU  14           HB1      LEU  14  -6.290   0.881   6.486
  107    HG   LEU  14           HG       LEU  14  -8.705   0.406   7.025
  108   HD11  LEU  14          HD11      LEU  14 -10.311   1.679   5.392
  109   HD12  LEU  14          HD12      LEU  14  -9.057   2.918   5.401
  110   HD13  LEU  14          HD13      LEU  14  -9.846   2.447   6.906
  111   HD21  LEU  14          HD21      LEU  14  -7.684  -0.738   5.171
  112   HD22  LEU  14          HD22      LEU  14  -7.878   0.671   4.124
  113   HD23  LEU  14          HD23      LEU  14  -9.296  -0.232   4.662
  114    H    GLN  15           HN       GLN  15  -5.494   0.727   8.860
  115    HA   GLN  15           HA       GLN  15  -7.367  -0.993  10.076
  116    HB2  GLN  15           HB2      GLN  15  -5.053  -1.660   9.564
  117    HB3  GLN  15           HB1      GLN  15  -4.462  -0.541  10.793
  118    HG2  GLN  15           HG2      GLN  15  -5.620  -1.764  12.543
  119    HG3  GLN  15           HG1      GLN  15  -6.390  -2.811  11.352
  120   HE21  GLN  15          HE21      GLN  15  -4.751  -3.880  13.443
  121   HE22  GLN  15          HE22      GLN  15  -3.353  -4.537  12.740
  122    H    HIS  16           HN       HIS  16  -5.537   1.773  11.293
  123    HA   HIS  16           HA       HIS  16  -6.721   1.521  13.957
  124    HB2  HIS  16           HB2      HIS  16  -4.649   3.369  12.762
  125    HB3  HIS  16           HB1      HIS  16  -5.293   3.582  14.390
  126    HD2  HIS  16           HD2      HIS  16  -4.014   2.026  16.289
  127    HE1  HIS  16           HE1      HIS  16  -2.136  -0.690  13.659
  128    HE2  HIS  16           HE2      HIS  16  -2.367   0.010  16.088
  129    H    ASN  17           HN       ASN  17  -7.616   2.830  11.035
  130    HA   ASN  17           HA       ASN  17  -9.279   4.285  10.411
  131    HB2  ASN  17           HB2      ASN  17 -10.446   3.039  12.323
  132    HB3  ASN  17           HB1      ASN  17 -10.071   4.446  13.317
  133   HD21  ASN  17          HD21      ASN  17 -12.181   5.333  13.510
  134   HD22  ASN  17          HD22      ASN  17 -13.088   5.865  12.177
  135    H    LEU  18           HN       LEU  18  -7.201   5.645  10.203
  136    HA   LEU  18           HA       LEU  18  -7.537   8.139  11.782
  137    HB2  LEU  18           HB2      LEU  18  -4.942   6.909  10.831
  138    HB3  LEU  18           HB1      LEU  18  -5.099   8.444  11.678
  139    HG   LEU  18           HG       LEU  18  -6.065   5.804  12.813
  140   HD11  LEU  18          HD11      LEU  18  -3.669   5.640  12.550
  141   HD12  LEU  18          HD12      LEU  18  -4.011   5.948  14.253
  142   HD13  LEU  18          HD13      LEU  18  -3.437   7.257  13.218
  143   HD21  LEU  18          HD21      LEU  18  -7.171   7.545  13.971
  144   HD22  LEU  18          HD22      LEU  18  -5.767   8.610  13.900
  145   HD23  LEU  18          HD23      LEU  18  -5.766   7.221  14.981
  146    H    GLU  19           HN       GLU  19  -7.223  10.061  10.679
  147    HA   GLU  19           HA       GLU  19  -8.136  10.322   8.120
  148    HB2  GLU  19           HB2      GLU  19  -6.120  12.075   9.543
  149    HB3  GLU  19           HB1      GLU  19  -7.008  12.539   8.093
  150    HG2  GLU  19           HG2      GLU  19  -8.302  11.721  10.711
  151    HG3  GLU  19           HG1      GLU  19  -8.069  13.388  10.189
  152    H    LEU  20           HN       LEU  20  -7.335  10.185   6.122
  153    HA   LEU  20           HA       LEU  20  -5.276   8.528   5.496
  154    HB2  LEU  20           HB2      LEU  20  -5.990  10.890   3.771
  155    HB3  LEU  20           HB1      LEU  20  -5.409   9.310   3.255
  156    HG   LEU  20           HG       LEU  20  -8.088   9.934   4.529
  157   HD11  LEU  20          HD11      LEU  20  -8.968   9.067   2.394
  158   HD12  LEU  20          HD12      LEU  20  -7.321   8.815   1.816
  159   HD13  LEU  20          HD13      LEU  20  -7.907  10.451   2.126
  160   HD21  LEU  20          HD21      LEU  20  -6.682   7.317   3.969
  161   HD22  LEU  20          HD22      LEU  20  -8.442   7.413   4.020
  162   HD23  LEU  20          HD23      LEU  20  -7.495   7.830   5.448
  163    HA   PRO  21           HA       PRO  21  -1.576  10.840   6.391
  164    HB2  PRO  21           HB2      PRO  21   0.235   9.471   4.875
  165    HB3  PRO  21           HB1      PRO  21  -0.484   8.779   6.333
  166    HG2  PRO  21           HG2      PRO  21  -1.217   8.318   3.477
  167    HG3  PRO  21           HG1      PRO  21  -1.063   7.148   4.804
  168    HD2  PRO  21           HD2      PRO  21  -3.490   8.119   3.976
  169    HD3  PRO  21           HD1      PRO  21  -3.168   7.628   5.659
  170    H    VAL  22           HN       VAL  22  -0.095  12.328   5.463
  171    HA   VAL  22           HA       VAL  22  -0.569  13.047   2.628
  172    HB   VAL  22           HB       VAL  22  -0.447  14.907   5.015
  173   HG11  VAL  22          HG11      VAL  22  -0.787  16.689   3.214
  174   HG12  VAL  22          HG12      VAL  22  -0.282  15.466   2.048
  175   HG13  VAL  22          HG13      VAL  22   0.827  15.989   3.315
  176   HG21  VAL  22          HG21      VAL  22  -2.665  15.629   4.154
  177   HG22  VAL  22          HG22      VAL  22  -2.651  13.929   4.621
  178   HG23  VAL  22          HG23      VAL  22  -2.570  14.377   2.916
  179    H    TYR  23           HN       TYR  23   1.192  13.279   1.492
  180    HA   TYR  23           HA       TYR  23   3.829  13.354   2.813
  181    HB2  TYR  23           HB2      TYR  23   3.002  12.420   0.088
  182    HB3  TYR  23           HB1      TYR  23   4.669  12.566   0.638
  183    HD1  TYR  23           HD1      TYR  23   1.395  11.080   1.715
  184    HD2  TYR  23           HD2      TYR  23   5.662  10.778   1.709
  185    HE1  TYR  23           HE1      TYR  23   1.238   8.886   2.852
  186    HE2  TYR  23           HE2      TYR  23   5.528   8.576   2.833
  187    HH   TYR  23           HH       TYR  23   3.006   6.703   2.901
  188    H    ALA  24           HN       ALA  24   5.435  14.700   2.024
  189    HA   ALA  24           HA       ALA  24   4.475  17.080   0.516
  190    HB1  ALA  24           HB1      ALA  24   5.768  18.481   1.848
  191    HB2  ALA  24           HB2      ALA  24   6.908  17.208   2.272
  192    HB3  ALA  24           HB3      ALA  24   5.319  17.257   3.034
  193    H    ASN  25           HN       ASN  25   5.789  17.871  -1.140
  194    HA   ASN  25           HA       ASN  25   8.091  16.151  -1.909
  195    HB2  ASN  25           HB2      ASN  25   6.022  17.455  -3.696
  196    HB3  ASN  25           HB1      ASN  25   7.435  16.564  -4.256
  197   HD21  ASN  25          HD21      ASN  25   4.221  16.133  -3.990
  198   HD22  ASN  25          HD22      ASN  25   4.157  14.483  -3.600
  199    H    GLU  26           HN       GLU  26   9.943  17.261  -1.983
  200    HA   GLU  26           HA       GLU  26   9.922  20.068  -2.886
  201    HB2  GLU  26           HB2      GLU  26  10.268  20.470  -0.620
  202    HB3  GLU  26           HB1      GLU  26  11.058  18.927  -0.360
  203    HG2  GLU  26           HG2      GLU  26  13.067  19.641  -1.329
  204    HG3  GLU  26           HG1      GLU  26  12.312  21.053  -2.067
  205    H    ARG  27           HN       ARG  27  11.326  20.411  -4.493
  206    HA   ARG  27           HA       ARG  27  13.567  18.509  -4.888
  207    HB2  ARG  27           HB2      ARG  27  11.699  18.017  -6.467
  208    HB3  ARG  27           HB1      ARG  27  11.815  19.669  -7.072
  209    HG2  ARG  27           HG2      ARG  27  14.201  19.244  -7.680
  210    HG3  ARG  27           HG1      ARG  27  14.007  17.573  -7.152
  211    HD2  ARG  27           HD2      ARG  27  12.107  17.374  -8.803
  212    HD3  ARG  27           HD1      ARG  27  12.550  18.965  -9.406
  213    HE   ARG  27           HE       ARG  27  13.955  16.500  -9.905
  214   HH11  ARG  27          HH21      ARG  27  14.220  19.936  -9.565
  215   HH12  ARG  27          HH22      ARG  27  15.632  20.063 -10.562
  216   HH21  ARG  27          HH11      ARG  27  15.808  16.660 -11.207
  217   HH22  ARG  27          HH12      ARG  27  16.529  18.208 -11.490
  218    H    GLU  28           HN       GLU  28  15.423  19.616  -4.758
  219    HA   GLU  28           HA       GLU  28  15.733  22.064  -6.270
  220    HB2  GLU  28           HB2      GLU  28  16.449  23.424  -4.360
  221    HB3  GLU  28           HB1      GLU  28  14.771  22.923  -4.157
  222    HG2  GLU  28           HG2      GLU  28  15.603  20.996  -2.755
  223    HG3  GLU  28           HG1      GLU  28  17.213  21.706  -2.838
  224    H    GLY  29           HN       GLY  29  17.792  22.216  -6.980
  225    HA2  GLY  29           HA2      GLY  29  20.150  21.854  -5.839
  226    HA3  GLY  29           HA1      GLY  29  19.683  20.178  -6.038
  227    HA   PRO  30           HA       PRO  30  21.480  22.495 -10.014
  228    HB2  PRO  30           HB2      PRO  30  23.800  20.717  -9.374
  229    HB3  PRO  30           HB1      PRO  30  23.790  22.345 -10.075
  230    HG2  PRO  30           HG2      PRO  30  24.404  21.823  -7.469
  231    HG3  PRO  30           HG1      PRO  30  23.742  23.362  -8.037
  232    HD2  PRO  30           HD2      PRO  30  22.432  21.306  -6.378
  233    HD3  PRO  30           HD1      PRO  30  21.932  22.980  -6.699
  234    HA   PRO  31           HA       PRO  31  20.251  19.056 -12.559
  235    HB2  PRO  31           HB2      PRO  31  22.825  19.285 -14.077
  236    HB3  PRO  31           HB1      PRO  31  21.156  19.314 -14.678
  237    HG2  PRO  31           HG2      PRO  31  22.617  21.540 -14.513
  238    HG3  PRO  31           HG1      PRO  31  20.875  21.546 -14.176
  239    HD2  PRO  31           HD2      PRO  31  23.167  21.709 -12.252
  240    HD3  PRO  31           HD1      PRO  31  21.549  22.437 -12.164
  241    H    HIS  32           HN       HIS  32  23.767  18.922 -11.923
  242    HA   HIS  32           HA       HIS  32  23.721  16.001 -11.836
  243    HB2  HIS  32           HB2      HIS  32  25.945  18.037 -11.611
  244    HB3  HIS  32           HB1      HIS  32  26.198  16.302 -11.425
  245    HD2  HIS  32           HD2      HIS  32  26.303  14.878 -13.827
  246    HE1  HIS  32           HE1      HIS  32  25.231  18.062 -16.384
  247    HE2  HIS  32           HE2      HIS  32  26.039  15.658 -16.306
  248    H    ALA  33           HN       ALA  33  22.801  18.252  -9.745
  249    HA   ALA  33           HA       ALA  33  23.533  16.584  -7.421
  250    HB1  ALA  33           HB1      ALA  33  25.075  18.585  -7.595
  251    HB2  ALA  33           HB2      ALA  33  24.168  18.460  -6.088
  252    HB3  ALA  33           HB3      ALA  33  23.661  19.598  -7.330
  253    HA   PRO  34           HA       PRO  34  19.082  17.992  -7.458
  254    HB2  PRO  34           HB2      PRO  34  17.857  15.646  -8.070
  255    HB3  PRO  34           HB1      PRO  34  18.477  16.740  -9.320
  256    HG2  PRO  34           HG2      PRO  34  19.647  14.206  -8.276
  257    HG3  PRO  34           HG1      PRO  34  19.647  14.856  -9.925
  258    HD2  PRO  34           HD2      PRO  34  21.805  15.033  -8.145
  259    HD3  PRO  34           HD1      PRO  34  21.574  16.068  -9.570
  260    H    ARG  35           HN       ARG  35  17.822  17.854  -5.613
  261    HA   ARG  35           HA       ARG  35  18.346  15.611  -3.744
  262    HB2  ARG  35           HB2      ARG  35  18.152  18.542  -3.033
  263    HB3  ARG  35           HB1      ARG  35  18.231  17.217  -1.873
  264    HG2  ARG  35           HG2      ARG  35  20.411  16.534  -2.778
  265    HG3  ARG  35           HG1      ARG  35  20.337  17.841  -3.960
  266    HD2  ARG  35           HD2      ARG  35  20.226  18.277  -0.968
  267    HD3  ARG  35           HD1      ARG  35  21.710  18.374  -1.913
  268    HE   ARG  35           HE       ARG  35  19.815  20.054  -3.123
  269   HH11  ARG  35          HH21      ARG  35  21.581  19.720  -0.167
  270   HH12  ARG  35          HH22      ARG  35  21.636  21.421   0.154
  271   HH21  ARG  35          HH11      ARG  35  19.883  22.288  -2.709
  272   HH22  ARG  35          HH12      ARG  35  20.675  22.876  -1.285
  273    H    PHE  36           HN       PHE  36  16.520  14.638  -3.043
  274    HA   PHE  36           HA       PHE  36  13.957  16.098  -3.494
  275    HB2  PHE  36           HB2      PHE  36  14.485  13.125  -3.387
  276    HB3  PHE  36           HB1      PHE  36  12.938  13.907  -3.719
  277    HD1  PHE  36           HD2      PHE  36  12.640  15.274  -5.707
  278    HD2  PHE  36           HD1      PHE  36  16.191  12.987  -5.060
  279    HE1  PHE  36           HE2      PHE  36  13.179  15.451  -8.118
  280    HE2  PHE  36           HE1      PHE  36  16.768  13.198  -7.444
  281    HZ   PHE  36           HZ       PHE  36  15.260  14.416  -9.002
  282    H    ARG  37           HN       ARG  37  13.518  16.976  -1.511
  283    HA   ARG  37           HA       ARG  37  13.772  15.242   0.867
  284    HB2  ARG  37           HB2      ARG  37  13.210  18.213   0.577
  285    HB3  ARG  37           HB1      ARG  37  13.311  17.361   2.116
  286    HG2  ARG  37           HG2      ARG  37  15.634  16.739   1.654
  287    HG3  ARG  37           HG1      ARG  37  15.543  17.494   0.063
  288    HD2  ARG  37           HD2      ARG  37  16.628  19.059   1.557
  289    HD3  ARG  37           HD1      ARG  37  15.020  19.677   1.204
  290    HE   ARG  37           HE       ARG  37  14.948  18.087   3.558
  291   HH11  ARG  37          HH21      ARG  37  16.056  21.118   2.307
  292   HH12  ARG  37          HH22      ARG  37  15.976  21.934   3.832
  293   HH21  ARG  37          HH11      ARG  37  14.848  19.149   5.564
  294   HH22  ARG  37          HH12      ARG  37  15.293  20.820   5.677
  295    H    CYS  38           HN       CYS  38  12.032  13.958   1.054
  296    HA   CYS  38           HA       CYS  38   9.343  15.160   0.689
  297    HB2  CYS  38           HB2      CYS  38   9.852  13.226  -0.753
  298    HB3  CYS  38           HB1      CYS  38  10.139  12.246   0.687
  299    HG   CYS  38           HG       CYS  38   7.467  12.653  -0.469
  300    H    ASN  39           HN       ASN  39   8.169  15.512   2.419
  301    HA   ASN  39           HA       ASN  39   8.914  14.163   4.962
  302    HB2  ASN  39           HB2      ASN  39   7.506  16.790   4.453
  303    HB3  ASN  39           HB1      ASN  39   7.647  16.042   6.037
  304   HD21  ASN  39          HD21      ASN  39   8.845  18.591   5.411
  305   HD22  ASN  39          HD22      ASN  39  10.531  18.400   5.494
  306    H    VAL  40           HN       VAL  40   7.212  13.472   6.363
  307    HA   VAL  40           HA       VAL  40   4.656  12.897   4.957
  308    HB   VAL  40           HB       VAL  40   5.920  10.846   5.110
  309   HG11  VAL  40          HG11      VAL  40   6.937  10.042   7.084
  310   HG12  VAL  40          HG12      VAL  40   6.052  11.161   8.110
  311   HG13  VAL  40          HG13      VAL  40   7.346  11.753   7.073
  312   HG21  VAL  40          HG21      VAL  40   3.428  10.913   5.729
  313   HG22  VAL  40          HG22      VAL  40   3.953  10.769   7.406
  314   HG23  VAL  40          HG23      VAL  40   4.332   9.492   6.250
  315    H    THR  41           HN       THR  41   3.015  13.846   5.875
  316    HA   THR  41           HA       THR  41   3.170  14.648   8.719
  317    HB   THR  41           HB       THR  41   1.201  15.420   6.559
  318    HG1  THR  41           HG1      THR  41   2.734  16.760   6.101
  319   HG21  THR  41          HG21      THR  41   0.045  15.581   8.629
  320   HG22  THR  41          HG22      THR  41   0.644  17.211   8.320
  321   HG23  THR  41          HG23      THR  41   1.479  16.169   9.471
  322    H    PHE  42           HN       PHE  42   2.279  13.363  10.192
  323    HA   PHE  42           HA       PHE  42  -0.235  11.958   9.544
  324    HB2  PHE  42           HB2      PHE  42   1.996  10.523   9.345
  325    HB3  PHE  42           HB1      PHE  42   1.894  10.483  11.101
  326    HD1  PHE  42           HD1      PHE  42  -0.356  10.157   8.161
  327    HD2  PHE  42           HD2      PHE  42   0.707   8.643  12.022
  328    HE1  PHE  42           HE1      PHE  42  -2.107   8.428   7.946
  329    HE2  PHE  42           HE2      PHE  42  -1.046   6.884  11.805
  330    HZ   PHE  42           HZ       PHE  42  -2.449   6.792   9.782
  331    H    CYS  43           HN       CYS  43  -1.650  11.839  11.231
  332    HA   CYS  43           HA       CYS  43  -2.625  12.596  13.179
  333    HB2  CYS  43           HB2      CYS  43  -0.112  11.577  14.494
  334    HB3  CYS  43           HB1      CYS  43  -1.766  11.533  15.106
  335    HG   CYS  43           HG       CYS  43  -2.319   9.737  13.248
  336    H    GLY  44           HN       GLY  44  -0.966  14.561  11.806
  337    HA2  GLY  44           HA2      GLY  44  -0.438  16.781  12.220
  338    HA3  GLY  44           HA1      GLY  44  -0.819  16.513  13.918
  339    H    GLN  45           HN       GLN  45   1.497  14.580  12.107
  340    HA   GLN  45           HA       GLN  45   3.747  15.912  13.494
  341    HB2  GLN  45           HB2      GLN  45   3.200  12.941  13.380
  342    HB3  GLN  45           HB1      GLN  45   4.713  13.669  13.934
  343    HG2  GLN  45           HG2      GLN  45   3.543  14.852  15.711
  344    HG3  GLN  45           HG1      GLN  45   1.993  14.243  15.133
  345   HE21  GLN  45          HE21      GLN  45   4.376  13.655  17.420
  346   HE22  GLN  45          HE22      GLN  45   4.071  12.008  17.699
  347    H    THR  46           HN       THR  46   5.190  16.548  12.040
  348    HA   THR  46           HA       THR  46   5.308  15.190   9.424
  349    HB   THR  46           HB       THR  46   6.482  17.854  10.225
  350    HG1  THR  46           HG1      THR  46   4.368  18.216  10.294
  351   HG21  THR  46          HG21      THR  46   6.582  18.188   7.781
  352   HG22  THR  46          HG22      THR  46   5.939  16.564   7.538
  353   HG23  THR  46          HG23      THR  46   7.529  16.783   8.270
  354    H    PHE  47           HN       PHE  47   6.733  13.578   9.457
  355    HA   PHE  47           HA       PHE  47   9.228  13.810  10.964
  356    HB2  PHE  47           HB2      PHE  47   7.940  11.564   9.420
  357    HB3  PHE  47           HB1      PHE  47   9.568  11.447  10.088
  358    HD1  PHE  47           HD1      PHE  47   6.028  12.101  10.961
  359    HD2  PHE  47           HD2      PHE  47   9.912  11.012  12.411
  360    HE1  PHE  47           HE1      PHE  47   5.042  11.533  13.165
  361    HE2  PHE  47           HE2      PHE  47   8.936  10.460  14.623
  362    HZ   PHE  47           HZ       PHE  47   6.498  10.717  15.001
  363    H    GLN  48           HN       GLN  48  11.238  13.941  10.062
  364    HA   GLN  48           HA       GLN  48  11.518  13.927   7.133
  365    HB2  GLN  48           HB2      GLN  48  12.782  16.054   7.203
  366    HB3  GLN  48           HB1      GLN  48  11.103  16.272   7.698
  367    HG2  GLN  48           HG2      GLN  48  11.814  16.114  10.077
  368    HG3  GLN  48           HG1      GLN  48  13.490  15.994   9.546
  369   HE21  GLN  48          HE21      GLN  48  13.668  18.086  10.893
  370   HE22  GLN  48          HE22      GLN  48  13.307  19.548  10.110
  371    H    SER  49           HN       SER  49  13.449  13.172   6.440
  372    HA   SER  49           HA       SER  49  15.190  11.952   8.411
  373    HB2  SER  49           HB2      SER  49  16.121  10.761   6.628
  374    HB3  SER  49           HB1      SER  49  14.463  11.010   6.086
  375    HG   SER  49           HG       SER  49  16.846  12.140   5.200
  376    H    SER  50           HN       SER  50  17.559  12.221   8.278
  377    HA   SER  50           HA       SER  50  18.246  15.064   8.125
  378    HB2  SER  50           HB2      SER  50  19.798  12.675   9.139
  379    HB3  SER  50           HB1      SER  50  20.358  14.343   9.203
  380    HG   SER  50           HG       SER  50  17.914  13.422  10.315
  381    H    GLU  51           HN       GLU  51  18.368  12.364   6.124
  382    HA   GLU  51           HA       GLU  51  20.566  13.535   4.511
  383    HB2  GLU  51           HB2      GLU  51  21.147  11.323   5.483
  384    HB3  GLU  51           HB1      GLU  51  19.757  10.622   4.655
  385    HG2  GLU  51           HG2      GLU  51  20.680  11.267   2.485
  386    HG3  GLU  51           HG1      GLU  51  22.032  12.076   3.274
  387    H    PHE  52           HN       PHE  52  20.263  13.782   2.406
  388    HA   PHE  52           HA       PHE  52  17.491  13.662   1.438
  389    HB2  PHE  52           HB2      PHE  52  19.559  14.719  -0.414
  390    HB3  PHE  52           HB1      PHE  52  18.005  15.414   0.059
  391    HD1  PHE  52           HD1      PHE  52  21.370  14.663   1.238
  392    HD2  PHE  52           HD2      PHE  52  17.939  17.141   1.660
  393    HE1  PHE  52           HE1      PHE  52  22.659  16.135   2.788
  394    HE2  PHE  52           HE2      PHE  52  19.183  18.633   3.221
  395    HZ   PHE  52           HZ       PHE  52  21.552  18.132   3.783
  396    H    PHE  53           HN       PHE  53  16.817  12.489  -0.176
  397    HA   PHE  53           HA       PHE  53  18.498  10.258  -1.022
  398    HB2  PHE  53           HB2      PHE  53  15.653  10.464  -1.924
  399    HB3  PHE  53           HB1      PHE  53  16.579   9.046  -1.429
  400    HD1  PHE  53           HD1      PHE  53  14.797  12.038  -0.236
  401    HD2  PHE  53           HD2      PHE  53  16.743   8.399   0.859
  402    HE1  PHE  53           HE1      PHE  53  13.875  12.257   2.044
  403    HE2  PHE  53           HE2      PHE  53  15.844   8.623   3.137
  404    HZ   PHE  53           HZ       PHE  53  14.400  10.534   3.743
  405    HA   PRO  54           HA       PRO  54  19.147  11.981  -5.089
  406    HB2  PRO  54           HB2      PRO  54  19.879   9.768  -6.482
  407    HB3  PRO  54           HB1      PRO  54  20.905  10.466  -5.213
  408    HG2  PRO  54           HG2      PRO  54  19.079   8.106  -5.081
  409    HG3  PRO  54           HG1      PRO  54  20.704   8.312  -4.402
  410    HD2  PRO  54           HD2      PRO  54  18.387   8.592  -2.910
  411    HD3  PRO  54           HD1      PRO  54  19.925   9.396  -2.517
  412    H    THR  55           HN       THR  55  16.543   9.968  -4.376
  413    HA   THR  55           HA       THR  55  15.297  10.505  -7.011
  414    HB   THR  55           HB       THR  55  14.119   8.160  -6.422
  415    HG1  THR  55           HG1      THR  55  16.746   7.827  -5.445
  416   HG21  THR  55          HG21      THR  55  16.824   8.552  -7.730
  417   HG22  THR  55          HG22      THR  55  15.247   8.498  -8.519
  418   HG23  THR  55          HG23      THR  55  15.923   7.038  -7.798
  419    H    LEU  56           HN       LEU  56  13.046  10.675  -7.009
  420    HA   LEU  56           HA       LEU  56  12.014  12.048  -4.759
  421    HB2  LEU  56           HB2      LEU  56  11.373  11.968  -7.404
  422    HB3  LEU  56           HB1      LEU  56  10.042  11.034  -6.724
  423    HG   LEU  56           HG       LEU  56  10.907  13.791  -5.804
  424   HD11  LEU  56          HD11      LEU  56   9.867  13.954  -7.925
  425   HD12  LEU  56          HD12      LEU  56   8.644  14.384  -6.730
  426   HD13  LEU  56          HD13      LEU  56   8.622  12.789  -7.480
  427   HD21  LEU  56          HD21      LEU  56   8.740  11.876  -4.904
  428   HD22  LEU  56          HD22      LEU  56   8.640  13.608  -4.590
  429   HD23  LEU  56          HD23      LEU  56   9.962  12.667  -3.911
  430    H    LYS  57           HN       LYS  57  10.653   9.043  -6.263
  431    HA   LYS  57           HA       LYS  57   8.943   8.418  -4.204
  432    HB2  LYS  57           HB2      LYS  57   9.057   7.380  -6.488
  433    HB3  LYS  57           HB1      LYS  57  10.452   6.454  -5.938
  434    HG2  LYS  57           HG2      LYS  57   9.114   5.421  -4.176
  435    HG3  LYS  57           HG1      LYS  57   7.717   6.396  -4.633
  436    HD2  LYS  57           HD2      LYS  57   7.728   5.343  -6.878
  437    HD3  LYS  57           HD1      LYS  57   9.102   4.346  -6.392
  438    HE2  LYS  57           HE2      LYS  57   7.749   3.349  -4.588
  439    HE3  LYS  57           HE1      LYS  57   6.379   4.353  -5.054
  440    HZ1  LYS  57           HZ1      LYS  57   7.556   2.052  -6.436
  441    HZ2  LYS  57           HZ2      LYS  57   6.832   3.273  -7.370
  442    HZ3  LYS  57           HZ3      LYS  57   5.924   2.448  -6.196
  443    H    SER  58           HN       SER  58  12.376   7.694  -4.543
  444    HA   SER  58           HA       SER  58  12.633   5.808  -2.498
  445    HB2  SER  58           HB2      SER  58  14.438   6.365  -4.060
  446    HB3  SER  58           HB1      SER  58  14.587   7.963  -3.331
  447    HG   SER  58           HG       SER  58  14.953   6.770  -1.313
  448    H    ALA  59           HN       ALA  59  12.366   9.307  -2.398
  449    HA   ALA  59           HA       ALA  59  13.080   9.618   0.340
  450    HB1  ALA  59           HB1      ALA  59  11.260  11.452  -1.197
  451    HB2  ALA  59           HB2      ALA  59  12.988  11.401  -1.499
  452    HB3  ALA  59           HB3      ALA  59  12.388  11.862   0.097
  453    H    GLU  60           HN       GLU  60  10.004   9.143  -1.336
  454    HA   GLU  60           HA       GLU  60   8.282   9.586   0.864
  455    HB2  GLU  60           HB2      GLU  60   7.970   7.850  -1.596
  456    HB3  GLU  60           HB1      GLU  60   6.668   8.199  -0.456
  457    HG2  GLU  60           HG2      GLU  60   6.883  10.592  -0.884
  458    HG3  GLU  60           HG1      GLU  60   8.261  10.304  -1.944
  459    H    HIS  61           HN       HIS  61   9.892   6.649  -0.330
  460    HA   HIS  61           HA       HIS  61   8.667   4.832   1.446
  461    HB2  HIS  61           HB2      HIS  61   9.890   3.367   0.211
  462    HB3  HIS  61           HB1      HIS  61  10.628   4.738  -0.607
  463    HD2  HIS  61           HD2      HIS  61  13.379   4.754  -0.252
  464    HE1  HIS  61           HE1      HIS  61  13.527   2.718   3.442
  465    HE2  HIS  61           HE2      HIS  61  14.926   3.828   1.639
  466    H    ALA  62           HN       ALA  62  11.804   6.492   1.653
  467    HA   ALA  62           HA       ALA  62  12.485   5.508   4.213
  468    HB1  ALA  62           HB1      ALA  62  14.229   6.376   2.838
  469    HB2  ALA  62           HB2      ALA  62  14.093   7.460   4.224
  470    HB3  ALA  62           HB3      ALA  62  13.410   7.930   2.667
  471    H    ALA  63           HN       ALA  63  10.747   8.378   3.147
  472    HA   ALA  63           HA       ALA  63  10.665   9.765   5.590
  473    HB1  ALA  63           HB1      ALA  63   9.973  10.717   3.407
  474    HB2  ALA  63           HB2      ALA  63   8.745  10.936   4.653
  475    HB3  ALA  63           HB3      ALA  63   8.546   9.681   3.430
  476    H    ALA  64           HN       ALA  64   8.438   7.331   4.233
  477    HA   ALA  64           HA       ALA  64   6.650   7.395   6.441
  478    HB1  ALA  64           HB1      ALA  64   5.738   6.519   4.471
  479    HB2  ALA  64           HB2      ALA  64   5.981   5.092   5.476
  480    HB3  ALA  64           HB3      ALA  64   7.126   5.471   4.185
  481    H    LYS  65           HN       LYS  65   9.583   5.537   5.755
  482    HA   LYS  65           HA       LYS  65   9.326   3.533   7.711
  483    HB2  LYS  65           HB2      LYS  65  11.050   3.587   5.928
  484    HB3  LYS  65           HB1      LYS  65  11.834   4.935   6.748
  485    HG2  LYS  65           HG2      LYS  65  12.226   3.552   8.724
  486    HG3  LYS  65           HG1      LYS  65  11.368   2.204   7.981
  487    HD2  LYS  65           HD2      LYS  65  13.050   2.159   6.160
  488    HD3  LYS  65           HD1      LYS  65  13.910   3.490   6.938
  489    HE2  LYS  65           HE2      LYS  65  14.263   2.117   8.943
  490    HE3  LYS  65           HE1      LYS  65  13.369   0.788   8.204
  491    HZ1  LYS  65           HZ1      LYS  65  15.500   0.219   7.678
  492    HZ2  LYS  65           HZ2      LYS  65  16.033   1.828   7.558
  493    HZ3  LYS  65           HZ3      LYS  65  15.106   1.142   6.311
  494    H    ILE  66           HN       ILE  66  11.038   6.703   7.965
  495    HA   ILE  66           HA       ILE  66  11.775   6.431  10.636
  496    HB   ILE  66           HB       ILE  66  11.818   8.982  10.580
  497   HG12  ILE  66          HG12      ILE  66  10.987   8.476   7.716
  498   HG13  ILE  66          HG11      ILE  66   9.982   9.251   8.934
  499   HG21  ILE  66          HG21      ILE  66  13.166   7.522   8.291
  500   HG22  ILE  66          HG22      ILE  66  13.748   7.539   9.956
  501   HG23  ILE  66          HG23      ILE  66  13.705   9.033   9.022
  502   HD11  ILE  66          HD11      ILE  66  10.954  11.024   7.695
  503   HD12  ILE  66          HD12      ILE  66  12.546  10.267   7.721
  504   HD13  ILE  66          HD13      ILE  66  11.870  10.947   9.202
  505    H    ALA  67           HN       ALA  67   8.845   7.863   9.214
  506    HA   ALA  67           HA       ALA  67   7.679   8.620  11.692
  507    HB1  ALA  67           HB1      ALA  67   6.117   7.923   9.210
  508    HB2  ALA  67           HB2      ALA  67   7.060   9.407   9.332
  509    HB3  ALA  67           HB3      ALA  67   5.733   9.116  10.452
  510    H    VAL  68           HN       VAL  68   7.322   5.750   9.649
  511    HA   VAL  68           HA       VAL  68   5.335   4.446  11.116
  512    HB   VAL  68           HB       VAL  68   7.513   3.490   9.259
  513   HG11  VAL  68          HG11      VAL  68   6.187   1.272   9.318
  514   HG12  VAL  68          HG12      VAL  68   5.565   1.840  10.870
  515   HG13  VAL  68          HG13      VAL  68   7.299   1.595  10.645
  516   HG21  VAL  68          HG21      VAL  68   5.329   4.722   8.537
  517   HG22  VAL  68          HG22      VAL  68   4.527   3.205   8.926
  518   HG23  VAL  68          HG23      VAL  68   5.779   3.246   7.685
  519    H    ALA  69           HN       ALA  69   8.888   4.377  11.423
  520    HA   ALA  69           HA       ALA  69   8.981   2.377  13.408
  521    HB1  ALA  69           HB1      ALA  69  11.243   3.271  13.852
  522    HB2  ALA  69           HB2      ALA  69  10.878   4.662  12.829
  523    HB3  ALA  69           HB3      ALA  69  10.947   3.046  12.127
  524    H    SER  70           HN       SER  70   8.267   5.789  13.509
  525    HA   SER  70           HA       SER  70   8.747   6.207  16.284
  526    HB2  SER  70           HB2      SER  70   6.803   7.694  14.509
  527    HB3  SER  70           HB1      SER  70   7.527   8.270  16.006
  528    HG   SER  70           HG       SER  70   9.497   8.341  15.019
  529    H    LEU  71           HN       LEU  71   5.897   5.269  14.429
  530    HA   LEU  71           HA       LEU  71   4.054   5.315  16.593
  531    HB2  LEU  71           HB2      LEU  71   3.897   3.626  14.088
  532    HB3  LEU  71           HB1      LEU  71   2.560   4.107  15.131
  533    HG   LEU  71           HG       LEU  71   4.326   6.000  13.550
  534   HD11  LEU  71          HD11      LEU  71   2.829   4.735  12.098
  535   HD12  LEU  71          HD12      LEU  71   2.246   6.394  12.237
  536   HD13  LEU  71          HD13      LEU  71   1.457   5.102  13.143
  537   HD21  LEU  71          HD21      LEU  71   2.338   7.579  14.248
  538   HD22  LEU  71          HD22      LEU  71   3.626   7.259  15.406
  539   HD23  LEU  71          HD23      LEU  71   2.089   6.402  15.537
  540    H    THR  72           HN       THR  72   6.334   2.953  15.426
  541    HA   THR  72           HA       THR  72   5.429   0.578  16.453
  542    HB   THR  72           HB       THR  72   8.283   1.534  16.741
  543    HG1  THR  72           HG1      THR  72   6.780   0.664  14.524
  544   HG21  THR  72          HG21      THR  72   7.896  -0.592  17.812
  545   HG22  THR  72          HG22      THR  72   8.712  -0.908  16.280
  546   HG23  THR  72          HG23      THR  72   6.976  -1.179  16.426
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1   8.270  -5.330  -1.496
    2    H2   MET   1           HT2      MET   1   8.213  -6.905  -0.864
    3    H3   MET   1           HT3      MET   1   9.235  -6.548  -2.173
    4    HA   MET   1           HA       MET   1   9.653  -6.167   0.653
    5    HB2  MET   1           HB2      MET   1  11.033  -7.620  -0.817
    6    HB3  MET   1           HB1      MET   1  11.507  -6.199  -1.749
    7    HG2  MET   1           HG2      MET   1  12.524  -5.201   0.253
    8    HG3  MET   1           HG1      MET   1  12.018  -6.589   1.216
    9    HE1  MET   1           HE1      MET   1  13.887  -8.520   1.708
   10    HE2  MET   1           HE2      MET   1  14.041  -9.482   0.239
   11    HE3  MET   1           HE3      MET   1  12.463  -8.862   0.715
   12    H    ASP   2           HN       ASP   2  10.718  -4.381  -2.253
   13    HA   ASP   2           HA       ASP   2  11.324  -2.024  -0.712
   14    HB2  ASP   2           HB2      ASP   2  11.289  -2.592  -3.679
   15    HB3  ASP   2           HB1      ASP   2  11.730  -1.026  -2.999
   16    H    HIS   3           HN       HIS   3  10.324   0.031  -0.937
   17    HA   HIS   3           HA       HIS   3   8.503   1.429  -0.930
   18    HB2  HIS   3           HB2      HIS   3   8.759   1.230  -3.363
   19    HB3  HIS   3           HB1      HIS   3   7.765  -0.225  -3.357
   20    HD2  HIS   3           HD2      HIS   3   5.099   0.334  -3.770
   21    HE1  HIS   3           HE1      HIS   3   5.115   4.363  -2.512
   22    HE2  HIS   3           HE2      HIS   3   3.680   2.505  -3.483
   23    H    VAL   4           HN       VAL   4   8.217  -0.495   0.964
   24    HA   VAL   4           HA       VAL   4   5.455  -1.503   0.692
   25    HB   VAL   4           HB       VAL   4   6.129  -2.960   2.605
   26   HG11  VAL   4          HG11      VAL   4   7.598  -3.074  -0.030
   27   HG12  VAL   4          HG12      VAL   4   6.165  -3.978   0.463
   28   HG13  VAL   4          HG13      VAL   4   7.735  -4.361   1.169
   29   HG21  VAL   4          HG21      VAL   4   8.921  -1.965   1.962
   30   HG22  VAL   4          HG22      VAL   4   8.480  -3.158   3.182
   31   HG23  VAL   4          HG23      VAL   4   8.001  -1.473   3.386
   32    H    TYR   5           HN       TYR   5   7.369   0.869   2.151
   33    HA   TYR   5           HA       TYR   5   6.212   1.118   4.710
   34    HB2  TYR   5           HB2      TYR   5   7.089   3.489   3.074
   35    HB3  TYR   5           HB1      TYR   5   7.223   3.230   4.815
   36    HD1  TYR   5           HD1      TYR   5   8.538   2.183   1.505
   37    HD2  TYR   5           HD2      TYR   5   9.041   2.044   5.753
   38    HE1  TYR   5           HE1      TYR   5  10.808   1.228   1.203
   39    HE2  TYR   5           HE2      TYR   5  11.307   1.095   5.471
   40    HH   TYR   5           HH       TYR   5  12.980   0.745   3.939
   41    H    LYS   6           HN       LYS   6   5.306   2.564   1.590
   42    HA   LYS   6           HA       LYS   6   3.200   4.178   2.511
   43    HB2  LYS   6           HB2      LYS   6   4.195   4.303   0.233
   44    HB3  LYS   6           HB1      LYS   6   3.406   2.777  -0.165
   45    HG2  LYS   6           HG2      LYS   6   1.206   3.769   0.254
   46    HG3  LYS   6           HG1      LYS   6   1.964   5.288   0.738
   47    HD2  LYS   6           HD2      LYS   6   2.961   5.489  -1.527
   48    HD3  LYS   6           HD1      LYS   6   2.141   4.002  -2.004
   49    HE2  LYS   6           HE2      LYS   6   0.778   6.536  -1.045
   50    HE3  LYS   6           HE1      LYS   6   0.853   5.984  -2.717
   51    HZ1  LYS   6           HZ1      LYS   6  -0.465   4.608  -0.442
   52    HZ2  LYS   6           HZ2      LYS   6  -0.273   3.924  -1.986
   53    HZ3  LYS   6           HZ3      LYS   6  -1.224   5.318  -1.782
   54    H    GLY   7           HN       GLY   7   3.239   0.800   1.420
   55    HA2  GLY   7           HA2      GLY   7   0.446   0.361   1.554
   56    HA3  GLY   7           HA1      GLY   7   1.685  -0.889   1.608
   57    H    GLN   8           HN       GLN   8   3.017   0.156   3.959
   58    HA   GLN   8           HA       GLN   8   1.398  -1.110   5.967
   59    HB2  GLN   8           HB2      GLN   8   4.049   0.337   6.088
   60    HB3  GLN   8           HB1      GLN   8   3.295  -0.439   7.482
   61    HG2  GLN   8           HG2      GLN   8   3.305  -2.593   6.340
   62    HG3  GLN   8           HG1      GLN   8   3.946  -1.849   4.880
   63   HE21  GLN   8          HE21      GLN   8   4.867  -3.486   7.692
   64   HE22  GLN   8          HE22      GLN   8   6.503  -3.036   7.716
   65    H    LEU   9           HN       LEU   9   2.479   2.203   5.358
   66    HA   LEU   9           HA       LEU   9   1.313   3.362   7.652
   67    HB2  LEU   9           HB2      LEU   9   3.027   4.488   6.243
   68    HB3  LEU   9           HB1      LEU   9   1.817   4.679   4.975
   69    HG   LEU   9           HG       LEU   9   0.400   5.980   6.562
   70   HD11  LEU   9          HD11      LEU   9   2.652   5.302   8.426
   71   HD12  LEU   9          HD12      LEU   9   0.920   5.380   8.742
   72   HD13  LEU   9          HD13      LEU   9   1.857   6.866   8.615
   73   HD21  LEU   9          HD21      LEU   9   2.028   7.972   6.717
   74   HD22  LEU   9          HD22      LEU   9   1.736   7.299   5.114
   75   HD23  LEU   9          HD23      LEU   9   3.220   6.901   5.979
   76    H    GLN  10           HN       GLN  10   0.081   2.805   4.405
   77    HA   GLN  10           HA       GLN  10  -2.318   4.211   4.836
   78    HB2  GLN  10           HB2      GLN  10  -1.481   3.635   2.590
   79    HB3  GLN  10           HB1      GLN  10  -1.751   1.928   2.933
   80    HG2  GLN  10           HG2      GLN  10  -4.141   2.286   3.136
   81    HG3  GLN  10           HG1      GLN  10  -3.933   4.031   2.991
   82   HE21  GLN  10          HE21      GLN  10  -2.724   1.189   1.094
   83   HE22  GLN  10          HE22      GLN  10  -3.197   1.820  -0.410
   84    H    ALA  11           HN       ALA  11  -1.395   0.838   5.301
   85    HA   ALA  11           HA       ALA  11  -3.985  -0.138   5.915
   86    HB1  ALA  11           HB1      ALA  11  -2.803  -2.082   6.835
   87    HB2  ALA  11           HB2      ALA  11  -1.283  -1.188   6.793
   88    HB3  ALA  11           HB3      ALA  11  -2.102  -1.605   5.287
   89    H    TYR  12           HN       TYR  12  -1.357   1.179   7.883
   90    HA   TYR  12           HA       TYR  12  -2.476   0.637  10.417
   91    HB2  TYR  12           HB2      TYR  12  -0.128   1.288  10.121
   92    HB3  TYR  12           HB1      TYR  12  -0.635   2.891   9.587
   93    HD1  TYR  12           HD1      TYR  12  -0.456   0.575  12.458
   94    HD2  TYR  12           HD2      TYR  12  -1.501   4.534  11.157
   95    HE1  TYR  12           HE1      TYR  12  -0.586   1.315  14.819
   96    HE2  TYR  12           HE2      TYR  12  -1.631   5.273  13.523
   97    HH   TYR  12           HH       TYR  12  -0.424   4.311  15.815
   98    H    ALA  13           HN       ALA  13  -2.630   3.551   8.371
   99    HA   ALA  13           HA       ALA  13  -4.112   5.199  10.031
  100    HB1  ALA  13           HB1      ALA  13  -3.131   5.860   7.838
  101    HB2  ALA  13           HB2      ALA  13  -4.807   6.373   8.026
  102    HB3  ALA  13           HB3      ALA  13  -4.419   4.967   7.032
  103    H    LEU  14           HN       LEU  14  -5.209   2.651   7.849
  104    HA   LEU  14           HA       LEU  14  -7.979   3.132   8.121
  105    HB2  LEU  14           HB2      LEU  14  -7.030   1.694   6.354
  106    HB3  LEU  14           HB1      LEU  14  -6.556   0.517   7.577
  107    HG   LEU  14           HG       LEU  14  -8.986   0.324   8.241
  108   HD11  LEU  14          HD11      LEU  14 -10.041   2.283   7.507
  109   HD12  LEU  14          HD12      LEU  14 -10.564   1.106   6.304
  110   HD13  LEU  14          HD13      LEU  14  -9.259   2.232   5.926
  111   HD21  LEU  14          HD21      LEU  14  -8.091  -0.361   5.437
  112   HD22  LEU  14          HD22      LEU  14  -9.629  -0.916   6.101
  113   HD23  LEU  14          HD23      LEU  14  -8.114  -1.399   6.862
  114    H    GLN  15           HN       GLN  15  -5.765   0.995   9.902
  115    HA   GLN  15           HA       GLN  15  -7.788  -0.099  11.585
  116    HB2  GLN  15           HB2      GLN  15  -5.547  -1.143  11.108
  117    HB3  GLN  15           HB1      GLN  15  -4.828   0.074  12.163
  118    HG2  GLN  15           HG2      GLN  15  -5.213  -1.903  13.494
  119    HG3  GLN  15           HG1      GLN  15  -6.397  -0.694  13.986
  120   HE21  GLN  15          HE21      GLN  15  -8.438  -1.605  14.230
  121   HE22  GLN  15          HE22      GLN  15  -9.056  -2.875  13.289
  122    H    HIS  16           HN       HIS  16  -5.478   2.560  11.947
  123    HA   HIS  16           HA       HIS  16  -6.194   3.124  14.663
  124    HB2  HIS  16           HB2      HIS  16  -3.995   3.716  13.670
  125    HB3  HIS  16           HB1      HIS  16  -4.808   4.891  12.644
  126    HD2  HIS  16           HD2      HIS  16  -3.366   4.681  16.194
  127    HE1  HIS  16           HE1      HIS  16  -5.759   8.156  16.100
  128    HE2  HIS  16           HE2      HIS  16  -4.034   6.871  17.448
  129    H    ASN  17           HN       ASN  17  -7.672   3.749  11.657
  130    HA   ASN  17           HA       ASN  17  -9.467   5.039  11.034
  131    HB2  ASN  17           HB2      ASN  17 -10.003   4.926  14.004
  132    HB3  ASN  17           HB1      ASN  17 -11.164   5.414  12.770
  133   HD21  ASN  17          HD21      ASN  17 -10.478   3.468  10.752
  134   HD22  ASN  17          HD22      ASN  17 -10.919   1.937  11.338
  135    H    LEU  18           HN       LEU  18  -7.710   6.702  10.616
  136    HA   LEU  18           HA       LEU  18  -8.534   9.217  11.869
  137    HB2  LEU  18           HB2      LEU  18  -6.504   9.788  12.816
  138    HB3  LEU  18           HB1      LEU  18  -6.367   8.043  12.963
  139    HG   LEU  18           HG       LEU  18  -5.231   9.620  10.617
  140   HD11  LEU  18          HD11      LEU  18  -3.920   8.621  13.144
  141   HD12  LEU  18          HD12      LEU  18  -4.021  10.283  12.566
  142   HD13  LEU  18          HD13      LEU  18  -3.035   9.111  11.697
  143   HD21  LEU  18          HD21      LEU  18  -4.211   7.585   9.979
  144   HD22  LEU  18          HD22      LEU  18  -5.863   7.141  10.403
  145   HD23  LEU  18          HD23      LEU  18  -4.553   6.843  11.541
  146    H    GLU  19           HN       GLU  19  -7.477  11.093  10.714
  147    HA   GLU  19           HA       GLU  19  -8.094  11.246   8.052
  148    HB2  GLU  19           HB2      GLU  19  -5.828  12.631   9.512
  149    HB3  GLU  19           HB1      GLU  19  -6.443  13.114   7.932
  150    HG2  GLU  19           HG2      GLU  19  -8.141  12.935  10.435
  151    HG3  GLU  19           HG1      GLU  19  -7.430  14.428   9.824
  152    H    LEU  20           HN       LEU  20  -7.285  10.509   6.221
  153    HA   LEU  20           HA       LEU  20  -5.393   8.487   6.083
  154    HB2  LEU  20           HB2      LEU  20  -6.572  10.369   4.056
  155    HB3  LEU  20           HB1      LEU  20  -5.258   9.299   3.569
  156    HG   LEU  20           HG       LEU  20  -6.540   7.352   4.348
  157   HD11  LEU  20          HD11      LEU  20  -8.520   9.497   5.140
  158   HD12  LEU  20          HD12      LEU  20  -7.797   8.254   6.162
  159   HD13  LEU  20          HD13      LEU  20  -8.989   7.807   4.941
  160   HD21  LEU  20          HD21      LEU  20  -6.849   8.068   2.028
  161   HD22  LEU  20          HD22      LEU  20  -8.087   9.222   2.523
  162   HD23  LEU  20          HD23      LEU  20  -8.386   7.488   2.672
  163    HA   PRO  21           HA       PRO  21  -1.463  10.466   6.344
  164    HB2  PRO  21           HB2      PRO  21   0.045   8.903   4.647
  165    HB3  PRO  21           HB1      PRO  21  -0.454   8.380   6.260
  166    HG2  PRO  21           HG2      PRO  21  -1.662   7.733   3.608
  167    HG3  PRO  21           HG1      PRO  21  -1.383   6.673   5.003
  168    HD2  PRO  21           HD2      PRO  21  -3.839   7.710   4.460
  169    HD3  PRO  21           HD1      PRO  21  -3.289   7.425   6.123
  170    H    VAL  22           HN       VAL  22  -0.159  11.946   5.316
  171    HA   VAL  22           HA       VAL  22  -0.674  12.484   2.453
  172    HB   VAL  22           HB       VAL  22  -0.682  14.508   4.711
  173   HG11  VAL  22          HG11      VAL  22   0.526  15.546   2.939
  174   HG12  VAL  22          HG12      VAL  22  -1.131  16.127   2.777
  175   HG13  VAL  22          HG13      VAL  22  -0.534  14.857   1.710
  176   HG21  VAL  22          HG21      VAL  22  -2.949  14.949   4.016
  177   HG22  VAL  22          HG22      VAL  22  -2.795  13.203   4.209
  178   HG23  VAL  22          HG23      VAL  22  -2.773  13.917   2.596
  179    H    TYR  23           HN       TYR  23   1.086  12.823   1.299
  180    HA   TYR  23           HA       TYR  23   3.692  13.105   2.655
  181    HB2  TYR  23           HB2      TYR  23   2.943  11.995  -0.030
  182    HB3  TYR  23           HB1      TYR  23   4.597  12.275   0.510
  183    HD1  TYR  23           HD1      TYR  23   1.435  10.606   1.622
  184    HD2  TYR  23           HD2      TYR  23   5.707  10.634   1.710
  185    HE1  TYR  23           HE1      TYR  23   1.424   8.461   2.854
  186    HE2  TYR  23           HE2      TYR  23   5.715   8.481   2.939
  187    HH   TYR  23           HH       TYR  23   4.064   6.484   3.153
  188    H    ALA  24           HN       ALA  24   5.215  14.559   1.847
  189    HA   ALA  24           HA       ALA  24   4.186  16.656   0.015
  190    HB1  ALA  24           HB1      ALA  24   5.747  16.984   2.598
  191    HB2  ALA  24           HB2      ALA  24   4.165  17.656   2.206
  192    HB3  ALA  24           HB3      ALA  24   5.606  18.262   1.389
  193    H    ASN  25           HN       ASN  25   5.515  17.108  -1.649
  194    HA   ASN  25           HA       ASN  25   8.223  15.901  -1.641
  195    HB2  ASN  25           HB2      ASN  25   6.313  16.515  -3.895
  196    HB3  ASN  25           HB1      ASN  25   7.971  15.974  -4.130
  197   HD21  ASN  25          HD21      ASN  25   5.062  14.693  -4.424
  198   HD22  ASN  25          HD22      ASN  25   5.289  13.154  -3.749
  199    H    GLU  26           HN       GLU  26   9.977  17.171  -2.078
  200    HA   GLU  26           HA       GLU  26   9.548  19.913  -3.071
  201    HB2  GLU  26           HB2      GLU  26  11.179  19.243  -0.603
  202    HB3  GLU  26           HB1      GLU  26  11.039  20.831  -1.348
  203    HG2  GLU  26           HG2      GLU  26   8.717  19.239  -0.216
  204    HG3  GLU  26           HG1      GLU  26   9.515  20.583   0.596
  205    H    ARG  27           HN       ARG  27  11.374  20.789  -4.131
  206    HA   ARG  27           HA       ARG  27  13.519  18.842  -4.755
  207    HB2  ARG  27           HB2      ARG  27  11.970  19.203  -6.652
  208    HB3  ARG  27           HB1      ARG  27  12.302  20.935  -6.584
  209    HG2  ARG  27           HG2      ARG  27  14.682  20.511  -7.023
  210    HG3  ARG  27           HG1      ARG  27  14.381  18.774  -7.030
  211    HD2  ARG  27           HD2      ARG  27  12.899  19.016  -8.959
  212    HD3  ARG  27           HD1      ARG  27  13.124  20.762  -8.938
  213    HE   ARG  27           HE       ARG  27  15.035  18.772  -9.879
  214   HH11  ARG  27          HH21      ARG  27  14.423  22.013  -8.829
  215   HH12  ARG  27          HH22      ARG  27  15.813  22.679  -9.618
  216   HH21  ARG  27          HH11      ARG  27  16.865  19.645 -10.919
  217   HH22  ARG  27          HH12      ARG  27  17.195  21.340 -10.797
  218    H    GLU  28           HN       GLU  28  15.513  19.534  -4.271
  219    HA   GLU  28           HA       GLU  28  16.238  22.306  -4.528
  220    HB2  GLU  28           HB2      GLU  28  15.080  22.355  -2.337
  221    HB3  GLU  28           HB1      GLU  28  16.194  21.125  -1.739
  222    HG2  GLU  28           HG2      GLU  28  18.100  22.631  -2.128
  223    HG3  GLU  28           HG1      GLU  28  17.018  23.854  -2.791
  224    H    GLY  29           HN       GLY  29  18.095  21.862  -5.660
  225    HA2  GLY  29           HA2      GLY  29  20.452  21.109  -4.423
  226    HA3  GLY  29           HA1      GLY  29  19.762  19.615  -5.053
  227    HA   PRO  30           HA       PRO  30  22.591  21.730  -8.209
  228    HB2  PRO  30           HB2      PRO  30  22.857  18.790  -8.765
  229    HB3  PRO  30           HB1      PRO  30  24.100  20.056  -8.801
  230    HG2  PRO  30           HG2      PRO  30  23.911  18.354  -6.751
  231    HG3  PRO  30           HG1      PRO  30  24.373  20.049  -6.517
  232    HD2  PRO  30           HD2      PRO  30  21.804  18.701  -5.826
  233    HD3  PRO  30           HD1      PRO  30  22.552  20.138  -5.100
  234    HA   PRO  31           HA       PRO  31  19.502  21.566 -11.389
  235    HB2  PRO  31           HB2      PRO  31  21.050  21.825 -13.668
  236    HB3  PRO  31           HB1      PRO  31  20.663  23.168 -12.574
  237    HG2  PRO  31           HG2      PRO  31  23.138  21.499 -12.714
  238    HG3  PRO  31           HG1      PRO  31  22.973  23.250 -12.486
  239    HD2  PRO  31           HD2      PRO  31  23.480  21.592 -10.406
  240    HD3  PRO  31           HD1      PRO  31  22.470  23.042 -10.217
  241    H    HIS  32           HN       HIS  32  22.351  19.753 -12.574
  242    HA   HIS  32           HA       HIS  32  20.634  17.803 -13.861
  243    HB2  HIS  32           HB2      HIS  32  22.655  18.482 -15.021
  244    HB3  HIS  32           HB1      HIS  32  23.645  18.027 -13.636
  245    HD2  HIS  32           HD2      HIS  32  24.435  15.359 -13.641
  246    HE1  HIS  32           HE1      HIS  32  21.819  13.995 -16.662
  247    HE2  HIS  32           HE2      HIS  32  23.740  13.334 -15.139
  248    H    ALA  33           HN       ALA  33  21.779  18.209 -10.678
  249    HA   ALA  33           HA       ALA  33  21.244  15.395 -10.127
  250    HB1  ALA  33           HB1      ALA  33  23.825  16.854  -9.590
  251    HB2  ALA  33           HB2      ALA  33  23.587  15.225 -10.215
  252    HB3  ALA  33           HB3      ALA  33  23.297  15.564  -8.509
  253    HA   PRO  34           HA       PRO  34  19.569  18.630  -7.160
  254    HB2  PRO  34           HB2      PRO  34  16.903  18.236  -7.584
  255    HB3  PRO  34           HB1      PRO  34  17.882  19.343  -8.570
  256    HG2  PRO  34           HG2      PRO  34  16.949  16.579  -9.184
  257    HG3  PRO  34           HG1      PRO  34  17.094  17.983 -10.254
  258    HD2  PRO  34           HD2      PRO  34  18.948  15.916 -10.152
  259    HD3  PRO  34           HD1      PRO  34  19.326  17.560 -10.711
  260    H    ARG  35           HN       ARG  35  18.446  18.262  -5.112
  261    HA   ARG  35           HA       ARG  35  18.344  15.382  -4.410
  262    HB2  ARG  35           HB2      ARG  35  18.653  17.841  -2.669
  263    HB3  ARG  35           HB1      ARG  35  18.535  16.190  -2.065
  264    HG2  ARG  35           HG2      ARG  35  20.539  15.565  -3.343
  265    HG3  ARG  35           HG1      ARG  35  20.656  17.208  -3.975
  266    HD2  ARG  35           HD2      ARG  35  20.703  16.536  -1.025
  267    HD3  ARG  35           HD1      ARG  35  22.154  16.753  -2.001
  268    HE   ARG  35           HE       ARG  35  20.509  19.013  -2.349
  269   HH11  ARG  35          HH21      ARG  35  22.366  17.382   0.071
  270   HH12  ARG  35          HH22      ARG  35  22.736  18.824   0.958
  271   HH21  ARG  35          HH11      ARG  35  20.989  20.910  -1.192
  272   HH22  ARG  35          HH12      ARG  35  21.956  20.822   0.242
  273    H    PHE  36           HN       PHE  36  16.498  14.525  -3.363
  274    HA   PHE  36           HA       PHE  36  14.089  16.254  -3.611
  275    HB2  PHE  36           HB2      PHE  36  14.396  13.255  -3.654
  276    HB3  PHE  36           HB1      PHE  36  12.874  14.134  -3.814
  277    HD1  PHE  36           HD2      PHE  36  12.416  15.496  -5.711
  278    HD2  PHE  36           HD1      PHE  36  16.026  13.230  -5.460
  279    HE1  PHE  36           HE2      PHE  36  12.748  15.781  -8.143
  280    HE2  PHE  36           HE1      PHE  36  16.407  13.543  -7.880
  281    HZ   PHE  36           HZ       PHE  36  14.755  14.799  -9.247
  282    H    ARG  37           HN       ARG  37  13.767  17.088  -1.604
  283    HA   ARG  37           HA       ARG  37  13.913  15.278   0.723
  284    HB2  ARG  37           HB2      ARG  37  13.632  18.302   0.545
  285    HB3  ARG  37           HB1      ARG  37  13.730  17.386   2.049
  286    HG2  ARG  37           HG2      ARG  37  15.955  16.576   1.454
  287    HG3  ARG  37           HG1      ARG  37  15.856  17.378  -0.114
  288    HD2  ARG  37           HD2      ARG  37  17.163  18.771   1.387
  289    HD3  ARG  37           HD1      ARG  37  15.625  19.567   1.076
  290    HE   ARG  37           HE       ARG  37  15.414  17.961   3.405
  291   HH11  ARG  37          HH21      ARG  37  16.875  20.850   2.181
  292   HH12  ARG  37          HH22      ARG  37  16.907  21.650   3.718
  293   HH21  ARG  37          HH11      ARG  37  15.451  19.005   5.423
  294   HH22  ARG  37          HH12      ARG  37  16.100  20.604   5.553
  295    H    CYS  38           HN       CYS  38  12.065  14.203   1.015
  296    HA   CYS  38           HA       CYS  38   9.500  15.670   0.703
  297    HB2  CYS  38           HB2      CYS  38   9.994  12.695   0.543
  298    HB3  CYS  38           HB1      CYS  38   8.458  13.518   0.277
  299    HG   CYS  38           HG       CYS  38   9.292  13.484  -2.090
  300    H    ASN  39           HN       ASN  39   8.003  15.587   2.310
  301    HA   ASN  39           HA       ASN  39   8.854  14.335   4.867
  302    HB2  ASN  39           HB2      ASN  39   7.006  16.709   4.580
  303    HB3  ASN  39           HB1      ASN  39   7.802  16.119   6.038
  304   HD21  ASN  39          HD21      ASN  39  10.317  15.633   4.268
  305   HD22  ASN  39          HD22      ASN  39  11.014  17.176   4.156
  306    H    VAL  40           HN       VAL  40   7.138  13.546   6.232
  307    HA   VAL  40           HA       VAL  40   4.669  12.807   4.755
  308    HB   VAL  40           HB       VAL  40   6.044  10.830   4.925
  309   HG11  VAL  40          HG11      VAL  40   6.127  11.121   7.931
  310   HG12  VAL  40          HG12      VAL  40   7.378  11.846   6.924
  311   HG13  VAL  40          HG13      VAL  40   7.125  10.107   6.890
  312   HG21  VAL  40          HG21      VAL  40   4.059  10.647   7.200
  313   HG22  VAL  40          HG22      VAL  40   4.533   9.382   6.066
  314   HG23  VAL  40          HG23      VAL  40   3.551  10.740   5.514
  315    H    THR  41           HN       THR  41   2.929  13.609   5.670
  316    HA   THR  41           HA       THR  41   3.022  14.495   8.484
  317    HB   THR  41           HB       THR  41   1.008  15.022   6.286
  318    HG1  THR  41           HG1      THR  41   2.090  17.204   7.169
  319   HG21  THR  41          HG21      THR  41   1.145  15.862   9.186
  320   HG22  THR  41          HG22      THR  41  -0.196  15.090   8.340
  321   HG23  THR  41          HG23      THR  41   0.218  16.767   7.990
  322    H    PHE  42           HN       PHE  42   2.123  13.319  10.048
  323    HA   PHE  42           HA       PHE  42  -0.228  11.663   9.468
  324    HB2  PHE  42           HB2      PHE  42   2.086  10.373   9.268
  325    HB3  PHE  42           HB1      PHE  42   2.002  10.370  11.028
  326    HD1  PHE  42           HD1      PHE  42  -0.230   9.807   8.104
  327    HD2  PHE  42           HD2      PHE  42   0.913   8.523  12.026
  328    HE1  PHE  42           HE1      PHE  42  -1.883   7.977   7.971
  329    HE2  PHE  42           HE2      PHE  42  -0.731   6.655  11.881
  330    HZ   PHE  42           HZ       PHE  42  -2.125   6.393   9.860
  331    H    CYS  43           HN       CYS  43  -1.605  11.494  11.186
  332    HA   CYS  43           HA       CYS  43  -2.596  12.260  13.126
  333    HB2  CYS  43           HB2      CYS  43  -1.362  10.248  13.857
  334    HB3  CYS  43           HB1      CYS  43   0.033  11.256  14.240
  335    HG   CYS  43           HG       CYS  43  -1.637  10.837  16.355
  336    H    GLY  44           HN       GLY  44  -1.084  14.287  11.676
  337    HA2  GLY  44           HA2      GLY  44  -0.667  16.534  12.023
  338    HA3  GLY  44           HA1      GLY  44  -1.011  16.293  13.732
  339    H    GLN  45           HN       GLN  45   1.357  14.346  12.061
  340    HA   GLN  45           HA       GLN  45   3.561  15.866  13.331
  341    HB2  GLN  45           HB2      GLN  45   3.162  12.871  13.334
  342    HB3  GLN  45           HB1      GLN  45   4.635  13.697  13.852
  343    HG2  GLN  45           HG2      GLN  45   3.393  14.903  15.578
  344    HG3  GLN  45           HG1      GLN  45   1.887  14.153  15.047
  345   HE21  GLN  45          HE21      GLN  45   2.183  13.539  17.567
  346   HE22  GLN  45          HE22      GLN  45   2.906  12.026  17.833
  347    H    THR  46           HN       THR  46   5.209  16.297  12.007
  348    HA   THR  46           HA       THR  46   5.261  14.963   9.366
  349    HB   THR  46           HB       THR  46   6.415  16.955   8.555
  350    HG1  THR  46           HG1      THR  46   7.034  17.267  11.036
  351   HG21  THR  46          HG21      THR  46   3.900  16.872   8.679
  352   HG22  THR  46          HG22      THR  46   4.571  18.502   8.698
  353   HG23  THR  46          HG23      THR  46   4.003  17.764  10.196
  354    H    PHE  47           HN       PHE  47   6.627  13.291   9.515
  355    HA   PHE  47           HA       PHE  47   9.136  13.537  10.995
  356    HB2  PHE  47           HB2      PHE  47   7.765  11.253   9.577
  357    HB3  PHE  47           HB1      PHE  47   9.412  11.124  10.191
  358    HD1  PHE  47           HD1      PHE  47   5.926  11.959  11.191
  359    HD2  PHE  47           HD2      PHE  47   9.823  10.707  12.486
  360    HE1  PHE  47           HE1      PHE  47   5.027  11.495  13.458
  361    HE2  PHE  47           HE2      PHE  47   8.932  10.260  14.756
  362    HZ   PHE  47           HZ       PHE  47   6.531  10.653  15.242
  363    H    GLN  48           HN       GLN  48  11.135  13.602  10.090
  364    HA   GLN  48           HA       GLN  48  11.398  13.491   7.156
  365    HB2  GLN  48           HB2      GLN  48  12.312  15.789   8.908
  366    HB3  GLN  48           HB1      GLN  48  12.791  15.563   7.225
  367    HG2  GLN  48           HG2      GLN  48  10.427  15.641   6.534
  368    HG3  GLN  48           HG1      GLN  48   9.941  15.863   8.213
  369   HE21  GLN  48          HE21      GLN  48   9.049  17.919   6.840
  370   HE22  GLN  48          HE22      GLN  48  10.056  19.282   6.920
  371    H    SER  49           HN       SER  49  13.553  13.128   6.439
  372    HA   SER  49           HA       SER  49  15.217  11.747   8.449
  373    HB2  SER  49           HB2      SER  49  15.326  11.648   5.428
  374    HB3  SER  49           HB1      SER  49  16.280  10.664   6.532
  375    HG   SER  49           HG       SER  49  14.562   9.492   6.987
  376    H    SER  50           HN       SER  50  17.527  12.022   8.374
  377    HA   SER  50           HA       SER  50  18.278  14.808   7.908
  378    HB2  SER  50           HB2      SER  50  18.862  13.614  10.035
  379    HB3  SER  50           HB1      SER  50  19.930  12.572   9.098
  380    HG   SER  50           HG       SER  50  20.401  15.102   8.427
  381    H    GLU  51           HN       GLU  51  18.234  12.043   6.095
  382    HA   GLU  51           HA       GLU  51  20.631  12.823   4.533
  383    HB2  GLU  51           HB2      GLU  51  19.303  10.116   4.843
  384    HB3  GLU  51           HB1      GLU  51  20.614  10.463   3.713
  385    HG2  GLU  51           HG2      GLU  51  20.790  10.892   6.709
  386    HG3  GLU  51           HG1      GLU  51  21.407   9.467   5.874
  387    H    PHE  52           HN       PHE  52  20.396  13.288   2.476
  388    HA   PHE  52           HA       PHE  52  17.679  13.470   1.384
  389    HB2  PHE  52           HB2      PHE  52  19.925  14.443  -0.295
  390    HB3  PHE  52           HB1      PHE  52  18.420  15.254   0.152
  391    HD1  PHE  52           HD1      PHE  52  21.660  14.137   1.435
  392    HD2  PHE  52           HD2      PHE  52  18.436  16.886   1.860
  393    HE1  PHE  52           HE1      PHE  52  22.985  15.393   3.138
  394    HE2  PHE  52           HE2      PHE  52  19.718  18.158   3.567
  395    HZ   PHE  52           HZ       PHE  52  22.003  17.416   4.209
  396    H    PHE  53           HN       PHE  53  17.042  12.554  -0.436
  397    HA   PHE  53           HA       PHE  53  18.670  10.293  -1.416
  398    HB2  PHE  53           HB2      PHE  53  15.807  10.377  -2.201
  399    HB3  PHE  53           HB1      PHE  53  16.785   9.029  -1.616
  400    HD1  PHE  53           HD1      PHE  53  15.168  12.188  -0.529
  401    HD2  PHE  53           HD2      PHE  53  16.673   8.364   0.621
  402    HE1  PHE  53           HE1      PHE  53  14.220  12.517   1.730
  403    HE2  PHE  53           HE2      PHE  53  15.756   8.702   2.873
  404    HZ   PHE  53           HZ       PHE  53  14.517  10.756   3.439
  405    HA   PRO  54           HA       PRO  54  18.995  12.306  -5.385
  406    HB2  PRO  54           HB2      PRO  54  19.701  10.209  -6.958
  407    HB3  PRO  54           HB1      PRO  54  20.786  10.872  -5.721
  408    HG2  PRO  54           HG2      PRO  54  19.086   8.424  -5.630
  409    HG3  PRO  54           HG1      PRO  54  20.728   8.682  -5.011
  410    HD2  PRO  54           HD2      PRO  54  18.446   8.756  -3.424
  411    HD3  PRO  54           HD1      PRO  54  19.977   9.565  -3.025
  412    H    THR  55           HN       THR  55  16.505  10.215  -4.634
  413    HA   THR  55           HA       THR  55  15.083  10.837  -7.162
  414    HB   THR  55           HB       THR  55  15.062   8.172  -5.728
  415    HG1  THR  55           HG1      THR  55  16.043   7.480  -7.674
  416   HG21  THR  55          HG21      THR  55  13.734   7.498  -7.766
  417   HG22  THR  55          HG22      THR  55  13.593   9.213  -8.156
  418   HG23  THR  55          HG23      THR  55  12.896   8.586  -6.661
  419    H    LEU  56           HN       LEU  56  12.827  10.933  -7.014
  420    HA   LEU  56           HA       LEU  56  11.890  12.177  -4.663
  421    HB2  LEU  56           HB2      LEU  56  11.007  11.946  -7.292
  422    HB3  LEU  56           HB1      LEU  56   9.750  11.129  -6.367
  423    HG   LEU  56           HG       LEU  56  10.824  13.881  -5.700
  424   HD11  LEU  56          HD11      LEU  56   9.676  13.766  -7.884
  425   HD12  LEU  56          HD12      LEU  56   8.822  14.751  -6.699
  426   HD13  LEU  56          HD13      LEU  56   8.251  13.123  -7.068
  427   HD21  LEU  56          HD21      LEU  56   9.104  13.987  -4.085
  428   HD22  LEU  56          HD22      LEU  56   9.706  12.351  -3.905
  429   HD23  LEU  56          HD23      LEU  56   8.217  12.643  -4.797
  430    H    LYS  57           HN       LYS  57  10.669   9.089  -6.103
  431    HA   LYS  57           HA       LYS  57   9.105   8.312  -3.987
  432    HB2  LYS  57           HB2      LYS  57  10.705   6.677  -5.961
  433    HB3  LYS  57           HB1      LYS  57   9.506   5.983  -4.872
  434    HG2  LYS  57           HG2      LYS  57   7.774   7.451  -5.848
  435    HG3  LYS  57           HG1      LYS  57   8.976   8.145  -6.935
  436    HD2  LYS  57           HD2      LYS  57   9.369   5.923  -7.934
  437    HD3  LYS  57           HD1      LYS  57   8.175   5.219  -6.845
  438    HE2  LYS  57           HE2      LYS  57   6.432   6.684  -7.808
  439    HE3  LYS  57           HE1      LYS  57   7.627   7.372  -8.909
  440    HZ1  LYS  57           HZ1      LYS  57   7.527   4.493  -8.933
  441    HZ2  LYS  57           HZ2      LYS  57   7.546   5.592 -10.230
  442    HZ3  LYS  57           HZ3      LYS  57   6.085   5.226  -9.442
  443    H    SER  58           HN       SER  58  12.589   7.979  -4.401
  444    HA   SER  58           HA       SER  58  13.108   6.112  -2.383
  445    HB2  SER  58           HB2      SER  58  14.714   8.438  -3.433
  446    HB3  SER  58           HB1      SER  58  15.340   7.317  -2.228
  447    HG   SER  58           HG       SER  58  15.284   5.710  -3.676
  448    H    ALA  59           HN       ALA  59  12.458   9.570  -2.230
  449    HA   ALA  59           HA       ALA  59  13.163   9.859   0.530
  450    HB1  ALA  59           HB1      ALA  59  11.295  11.619  -1.040
  451    HB2  ALA  59           HB2      ALA  59  13.044  11.703  -1.209
  452    HB3  ALA  59           HB3      ALA  59  12.293  12.064   0.345
  453    H    GLU  60           HN       GLU  60  10.094   9.450  -1.202
  454    HA   GLU  60           HA       GLU  60   8.377   9.704   1.005
  455    HB2  GLU  60           HB2      GLU  60   8.097   8.134  -1.564
  456    HB3  GLU  60           HB1      GLU  60   6.789   8.344  -0.401
  457    HG2  GLU  60           HG2      GLU  60   6.906  10.769  -0.649
  458    HG3  GLU  60           HG1      GLU  60   8.292  10.616  -1.730
  459    H    HIS  61           HN       HIS  61  10.024   6.863  -0.353
  460    HA   HIS  61           HA       HIS  61   8.816   4.914   1.288
  461    HB2  HIS  61           HB2      HIS  61  11.585   4.948   0.066
  462    HB3  HIS  61           HB1      HIS  61  10.769   3.523   0.709
  463    HD2  HIS  61           HD2      HIS  61  10.584   2.403  -1.937
  464    HE1  HIS  61           HE1      HIS  61   7.856   5.286  -3.375
  465    HE2  HIS  61           HE2      HIS  61   8.963   3.056  -3.877
  466    H    ALA  62           HN       ALA  62  11.889   6.678   1.672
  467    HA   ALA  62           HA       ALA  62  12.518   5.543   4.207
  468    HB1  ALA  62           HB1      ALA  62  13.502   8.025   2.794
  469    HB2  ALA  62           HB2      ALA  62  14.308   6.461   2.919
  470    HB3  ALA  62           HB3      ALA  62  14.131   7.479   4.348
  471    H    ALA  63           HN       ALA  63  10.723   8.382   3.185
  472    HA   ALA  63           HA       ALA  63  10.619   9.787   5.603
  473    HB1  ALA  63           HB1      ALA  63   9.825  10.762   3.524
  474    HB2  ALA  63           HB2      ALA  63   8.515  10.759   4.705
  475    HB3  ALA  63           HB3      ALA  63   8.543   9.556   3.417
  476    H    ALA  64           HN       ALA  64   8.380   7.326   4.326
  477    HA   ALA  64           HA       ALA  64   6.718   7.314   6.640
  478    HB1  ALA  64           HB1      ALA  64   5.671   6.497   4.715
  479    HB2  ALA  64           HB2      ALA  64   6.004   5.032   5.638
  480    HB3  ALA  64           HB3      ALA  64   7.044   5.482   4.286
  481    H    LYS  65           HN       LYS  65   9.635   5.572   5.728
  482    HA   LYS  65           HA       LYS  65   9.568   3.427   7.488
  483    HB2  LYS  65           HB2      LYS  65  11.297   3.899   5.731
  484    HB3  LYS  65           HB1      LYS  65  12.004   5.076   6.837
  485    HG2  LYS  65           HG2      LYS  65  12.416   3.365   8.498
  486    HG3  LYS  65           HG1      LYS  65  11.552   2.168   7.535
  487    HD2  LYS  65           HD2      LYS  65  13.896   1.806   7.141
  488    HD3  LYS  65           HD1      LYS  65  13.239   2.562   5.692
  489    HE2  LYS  65           HE2      LYS  65  14.193   4.670   6.221
  490    HE3  LYS  65           HE1      LYS  65  14.501   4.203   7.894
  491    HZ1  LYS  65           HZ1      LYS  65  15.753   2.749   5.654
  492    HZ2  LYS  65           HZ2      LYS  65  16.252   2.841   7.275
  493    HZ3  LYS  65           HZ3      LYS  65  16.439   4.182   6.248
  494    H    ILE  66           HN       ILE  66  10.764   6.741   8.106
  495    HA   ILE  66           HA       ILE  66  11.389   6.168  10.846
  496    HB   ILE  66           HB       ILE  66  11.623   8.670  10.976
  497   HG12  ILE  66          HG12      ILE  66  11.089   8.514   8.000
  498   HG13  ILE  66          HG11      ILE  66   9.910   9.096   9.172
  499   HG21  ILE  66          HG21      ILE  66  13.637   8.705   9.621
  500   HG22  ILE  66          HG22      ILE  66  13.051   7.353   8.652
  501   HG23  ILE  66          HG23      ILE  66  13.477   7.106  10.346
  502   HD11  ILE  66          HD11      ILE  66  12.593  10.299   8.478
  503   HD12  ILE  66          HD12      ILE  66  11.715  10.748   9.940
  504   HD13  ILE  66          HD13      ILE  66  11.002  11.049   8.357
  505    H    ALA  67           HN       ALA  67   8.610   7.392   9.097
  506    HA   ALA  67           HA       ALA  67   7.226   8.464  11.356
  507    HB1  ALA  67           HB1      ALA  67   5.913   7.443   8.846
  508    HB2  ALA  67           HB2      ALA  67   6.825   8.951   8.878
  509    HB3  ALA  67           HB3      ALA  67   5.400   8.763   9.897
  510    H    VAL  68           HN       VAL  68   6.798   5.434   9.532
  511    HA   VAL  68           HA       VAL  68   4.765   4.363  11.152
  512    HB   VAL  68           HB       VAL  68   5.408   3.539   8.867
  513   HG11  VAL  68          HG11      VAL  68   7.900   3.538   9.465
  514   HG12  VAL  68          HG12      VAL  68   7.311   2.140   8.568
  515   HG13  VAL  68          HG13      VAL  68   7.592   2.022  10.306
  516   HG21  VAL  68          HG21      VAL  68   3.968   2.213  10.371
  517   HG22  VAL  68          HG22      VAL  68   5.398   1.476  11.093
  518   HG23  VAL  68          HG23      VAL  68   5.002   1.163   9.402
  519    H    ALA  69           HN       ALA  69   8.263   4.404  11.473
  520    HA   ALA  69           HA       ALA  69   8.411   2.386  13.487
  521    HB1  ALA  69           HB1      ALA  69  10.697   3.198  13.818
  522    HB2  ALA  69           HB2      ALA  69  10.343   4.628  12.849
  523    HB3  ALA  69           HB3      ALA  69  10.345   3.033  12.097
  524    H    SER  70           HN       SER  70   7.761   5.815  13.475
  525    HA   SER  70           HA       SER  70   8.294   6.297  16.236
  526    HB2  SER  70           HB2      SER  70   7.193   8.409  15.900
  527    HB3  SER  70           HB1      SER  70   8.133   8.062  14.451
  528    HG   SER  70           HG       SER  70   5.384   8.130  14.847
  529    H    LEU  71           HN       LEU  71   5.418   5.373  14.413
  530    HA   LEU  71           HA       LEU  71   3.583   5.575  16.580
  531    HB2  LEU  71           HB2      LEU  71   3.336   3.795  14.148
  532    HB3  LEU  71           HB1      LEU  71   2.032   4.431  15.152
  533    HG   LEU  71           HG       LEU  71   3.936   6.098  13.482
  534   HD11  LEU  71          HD11      LEU  71   0.973   5.596  13.100
  535   HD12  LEU  71          HD12      LEU  71   2.238   4.748  12.212
  536   HD13  LEU  71          HD13      LEU  71   2.049   6.489  12.025
  537   HD21  LEU  71          HD21      LEU  71   2.121   7.876  14.063
  538   HD22  LEU  71          HD22      LEU  71   3.307   7.473  15.301
  539   HD23  LEU  71          HD23      LEU  71   1.684   6.785  15.379
  540    H    THR  72           HN       THR  72   5.761   3.088  15.460
  541    HA   THR  72           HA       THR  72   4.600   0.996  17.075
  542    HB   THR  72           HB       THR  72   6.730  -0.219  16.432
  543    HG1  THR  72           HG1      THR  72   7.895   0.852  14.743
  544   HG21  THR  72          HG21      THR  72   6.070  -0.305  13.990
  545   HG22  THR  72          HG22      THR  72   4.932   0.999  14.325
  546   HG23  THR  72          HG23      THR  72   4.744  -0.563  15.122
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  13.854  -3.417  -1.242
    2    H2   MET   1           HT2      MET   1  15.389  -2.722  -1.011
    3    H3   MET   1           HT3      MET   1  14.982  -3.412  -2.509
    4    HA   MET   1           HA       MET   1  14.243  -0.823  -1.384
    5    HB2  MET   1           HB2      MET   1  14.798  -1.927  -4.153
    6    HB3  MET   1           HB1      MET   1  14.386  -0.244  -3.823
    7    HG2  MET   1           HG2      MET   1  16.352   0.007  -2.405
    8    HG3  MET   1           HG1      MET   1  16.738  -1.704  -2.591
    9    HE1  MET   1           HE1      MET   1  17.049   1.698  -5.589
   10    HE2  MET   1           HE2      MET   1  16.118   1.601  -4.096
   11    HE3  MET   1           HE3      MET   1  15.489   0.865  -5.568
   12    H    ASP   2           HN       ASP   2  12.349  -2.878  -0.868
   13    HA   ASP   2           HA       ASP   2  10.227  -2.575  -2.865
   14    HB2  ASP   2           HB2      ASP   2  10.761  -4.768  -1.691
   15    HB3  ASP   2           HB1      ASP   2  10.077  -4.047  -0.234
   16    H    HIS   3           HN       HIS   3   8.997  -0.818  -2.780
   17    HA   HIS   3           HA       HIS   3   8.806   0.871  -0.494
   18    HB2  HIS   3           HB2      HIS   3   6.807   0.934  -2.745
   19    HB3  HIS   3           HB1      HIS   3   7.507   2.276  -1.839
   20    HD2  HIS   3           HD2      HIS   3   7.788   1.593  -5.272
   21    HE1  HIS   3           HE1      HIS   3  11.879   1.690  -4.234
   22    HE2  HIS   3           HE2      HIS   3  10.232   1.792  -6.166
   23    H    VAL   4           HN       VAL   4   8.151  -0.914   1.024
   24    HA   VAL   4           HA       VAL   4   5.335  -1.697   0.846
   25    HB   VAL   4           HB       VAL   4   5.904  -3.124   2.771
   26   HG11  VAL   4          HG11      VAL   4   7.394  -4.654   1.540
   27   HG12  VAL   4          HG12      VAL   4   7.818  -3.344   0.437
   28   HG13  VAL   4          HG13      VAL   4   6.169  -3.969   0.472
   29   HG21  VAL   4          HG21      VAL   4   7.654  -1.701   3.768
   30   HG22  VAL   4          HG22      VAL   4   8.690  -2.000   2.371
   31   HG23  VAL   4          HG23      VAL   4   8.268  -3.324   3.456
   32    H    TYR   5           HN       TYR   5   7.343   0.652   2.367
   33    HA   TYR   5           HA       TYR   5   6.111   1.021   4.825
   34    HB2  TYR   5           HB2      TYR   5   7.034   3.326   3.116
   35    HB3  TYR   5           HB1      TYR   5   7.151   3.124   4.863
   36    HD1  TYR   5           HD1      TYR   5   8.486   1.957   1.605
   37    HD2  TYR   5           HD2      TYR   5   8.957   1.945   5.855
   38    HE1  TYR   5           HE1      TYR   5  10.742   0.961   1.349
   39    HE2  TYR   5           HE2      TYR   5  11.212   0.953   5.621
   40    HH   TYR   5           HH       TYR   5  12.534  -0.254   4.069
   41    H    LYS   6           HN       LYS   6   5.262   2.419   1.663
   42    HA   LYS   6           HA       LYS   6   3.157   4.057   2.539
   43    HB2  LYS   6           HB2      LYS   6   3.623   2.657  -0.101
   44    HB3  LYS   6           HB1      LYS   6   2.346   3.842   0.168
   45    HG2  LYS   6           HG2      LYS   6   3.987   5.547   0.752
   46    HG3  LYS   6           HG1      LYS   6   5.294   4.370   0.641
   47    HD2  LYS   6           HD2      LYS   6   5.357   5.521  -1.436
   48    HD3  LYS   6           HD1      LYS   6   4.538   4.001  -1.792
   49    HE2  LYS   6           HE2      LYS   6   2.388   5.053  -1.804
   50    HE3  LYS   6           HE1      LYS   6   3.029   6.535  -1.099
   51    HZ1  LYS   6           HZ1      LYS   6   2.933   5.729  -3.820
   52    HZ2  LYS   6           HZ2      LYS   6   4.522   6.105  -3.355
   53    HZ3  LYS   6           HZ3      LYS   6   3.285   7.251  -3.160
   54    H    GLY   7           HN       GLY   7   3.198   0.667   1.510
   55    HA2  GLY   7           HA2      GLY   7   0.382   0.265   1.642
   56    HA3  GLY   7           HA1      GLY   7   1.608  -0.997   1.615
   57    H    GLN   8           HN       GLN   8   2.967   0.092   4.017
   58    HA   GLN   8           HA       GLN   8   1.398  -1.304   5.992
   59    HB2  GLN   8           HB2      GLN   8   4.026   0.183   6.122
   60    HB3  GLN   8           HB1      GLN   8   3.297  -0.617   7.513
   61    HG2  GLN   8           HG2      GLN   8   3.912  -2.018   4.897
   62    HG3  GLN   8           HG1      GLN   8   4.986  -2.032   6.292
   63   HE21  GLN   8          HE21      GLN   8   2.772  -3.951   4.812
   64   HE22  GLN   8          HE22      GLN   8   2.134  -4.763   6.159
   65    H    LEU   9           HN       LEU   9   2.516   2.017   5.549
   66    HA   LEU   9           HA       LEU   9   1.248   3.101   7.814
   67    HB2  LEU   9           HB2      LEU   9   3.032   4.276   6.567
   68    HB3  LEU   9           HB1      LEU   9   1.930   4.469   5.205
   69    HG   LEU   9           HG       LEU   9   0.387   5.774   6.652
   70   HD11  LEU   9          HD11      LEU   9   0.694   5.071   8.856
   71   HD12  LEU   9          HD12      LEU   9   1.582   6.591   8.870
   72   HD13  LEU   9          HD13      LEU   9   2.453   5.064   8.724
   73   HD21  LEU   9          HD21      LEU   9   1.874   7.117   5.396
   74   HD22  LEU   9          HD22      LEU   9   3.261   6.669   6.389
   75   HD23  LEU   9          HD23      LEU   9   2.015   7.735   7.041
   76    H    GLN  10           HN       GLN  10   0.175   2.751   4.489
   77    HA   GLN  10           HA       GLN  10  -2.224   4.146   4.846
   78    HB2  GLN  10           HB2      GLN  10  -1.156   3.541   2.632
   79    HB3  GLN  10           HB1      GLN  10  -1.716   1.890   2.890
   80    HG2  GLN  10           HG2      GLN  10  -3.360   2.959   1.517
   81    HG3  GLN  10           HG1      GLN  10  -4.060   2.837   3.131
   82   HE21  GLN  10          HE21      GLN  10  -4.165   4.825   4.430
   83   HE22  GLN  10          HE22      GLN  10  -4.057   6.349   3.688
   84    H    ALA  11           HN       ALA  11  -1.371   0.742   5.170
   85    HA   ALA  11           HA       ALA  11  -4.020  -0.187   5.654
   86    HB1  ALA  11           HB1      ALA  11  -1.429  -1.475   6.531
   87    HB2  ALA  11           HB2      ALA  11  -2.093  -1.615   4.903
   88    HB3  ALA  11           HB3      ALA  11  -2.985  -2.267   6.279
   89    H    TYR  12           HN       TYR  12  -1.356   0.862   7.744
   90    HA   TYR  12           HA       TYR  12  -2.478   0.087  10.207
   91    HB2  TYR  12           HB2      TYR  12  -0.142   0.734  10.036
   92    HB3  TYR  12           HB1      TYR  12  -0.600   2.370   9.562
   93    HD1  TYR  12           HD1      TYR  12  -0.828  -0.117  12.331
   94    HD2  TYR  12           HD2      TYR  12  -1.157   4.012  11.193
   95    HE1  TYR  12           HE1      TYR  12  -0.989   0.528  14.720
   96    HE2  TYR  12           HE2      TYR  12  -1.317   4.658  13.582
   97    HH   TYR  12           HH       TYR  12  -1.974   3.621  15.725
   98    H    ALA  13           HN       ALA  13  -2.615   3.244   8.521
   99    HA   ALA  13           HA       ALA  13  -4.126   4.603  10.420
  100    HB1  ALA  13           HB1      ALA  13  -4.327   6.258   8.808
  101    HB2  ALA  13           HB2      ALA  13  -4.695   5.113   7.518
  102    HB3  ALA  13           HB3      ALA  13  -3.035   5.311   8.067
  103    H    LEU  14           HN       LEU  14  -5.250   2.824   7.539
  104    HA   LEU  14           HA       LEU  14  -8.003   3.166   8.026
  105    HB2  LEU  14           HB2      LEU  14  -7.106   2.485   5.835
  106    HB3  LEU  14           HB1      LEU  14  -6.605   0.940   6.521
  107    HG   LEU  14           HG       LEU  14  -9.003   0.479   7.119
  108   HD11  LEU  14          HD11      LEU  14  -9.333   3.182   5.834
  109   HD12  LEU  14          HD12      LEU  14 -10.098   2.530   7.282
  110   HD13  LEU  14          HD13      LEU  14 -10.630   1.994   5.691
  111   HD21  LEU  14          HD21      LEU  14  -9.758   0.195   4.707
  112   HD22  LEU  14          HD22      LEU  14  -8.205  -0.531   5.121
  113   HD23  LEU  14          HD23      LEU  14  -8.259   0.996   4.236
  114    H    GLN  15           HN       GLN  15  -5.756   0.577   8.888
  115    HA   GLN  15           HA       GLN  15  -7.534  -1.285   9.904
  116    HB2  GLN  15           HB2      GLN  15  -5.136  -1.729   9.634
  117    HB3  GLN  15           HB1      GLN  15  -4.771  -0.604  10.942
  118    HG2  GLN  15           HG2      GLN  15  -5.982  -1.998  12.536
  119    HG3  GLN  15           HG1      GLN  15  -6.499  -3.078  11.242
  120   HE21  GLN  15          HE21      GLN  15  -5.237  -4.926  11.106
  121   HE22  GLN  15          HE22      GLN  15  -3.600  -5.025  11.543
  122    H    HIS  16           HN       HIS  16  -6.155   1.572  11.455
  123    HA   HIS  16           HA       HIS  16  -7.697   1.031  13.906
  124    HB2  HIS  16           HB2      HIS  16  -5.526   3.034  13.262
  125    HB3  HIS  16           HB1      HIS  16  -6.396   2.979  14.797
  126    HD2  HIS  16           HD2      HIS  16  -5.498   1.021  16.565
  127    HE1  HIS  16           HE1      HIS  16  -2.840  -0.914  13.918
  128    HE2  HIS  16           HE2      HIS  16  -3.652  -0.808  16.321
  129    H    ASN  17           HN       ASN  17  -8.301   2.405  11.016
  130    HA   ASN  17           HA       ASN  17  -9.915   3.867  10.269
  131    HB2  ASN  17           HB2      ASN  17 -11.200   2.696  12.174
  132    HB3  ASN  17           HB1      ASN  17 -10.862   4.142  13.121
  133   HD21  ASN  17          HD21      ASN  17 -13.133   4.765  13.145
  134   HD22  ASN  17          HD22      ASN  17 -13.892   5.367  11.752
  135    H    LEU  18           HN       LEU  18  -7.816   5.163  10.127
  136    HA   LEU  18           HA       LEU  18  -7.973   7.616  11.807
  137    HB2  LEU  18           HB2      LEU  18  -5.691   6.070  10.706
  138    HB3  LEU  18           HB1      LEU  18  -5.496   7.807  10.878
  139    HG   LEU  18           HG       LEU  18  -6.067   7.675  13.232
  140   HD11  LEU  18          HD11      LEU  18  -6.758   4.851  12.529
  141   HD12  LEU  18          HD12      LEU  18  -7.617   5.993  13.560
  142   HD13  LEU  18          HD13      LEU  18  -6.172   5.191  14.157
  143   HD21  LEU  18          HD21      LEU  18  -4.111   5.462  12.699
  144   HD22  LEU  18          HD22      LEU  18  -4.112   6.626  14.023
  145   HD23  LEU  18          HD23      LEU  18  -3.730   7.155  12.385
  146    H    GLU  19           HN       GLU  19  -6.549   9.360  10.412
  147    HA   GLU  19           HA       GLU  19  -8.185   9.832   8.032
  148    HB2  GLU  19           HB2      GLU  19  -7.241  12.097   8.124
  149    HB3  GLU  19           HB1      GLU  19  -7.954  11.645   9.673
  150    HG2  GLU  19           HG2      GLU  19  -5.684  10.985  10.478
  151    HG3  GLU  19           HG1      GLU  19  -5.009  11.567   8.957
  152    H    LEU  20           HN       LEU  20  -7.389   9.941   5.989
  153    HA   LEU  20           HA       LEU  20  -5.301   8.399   5.221
  154    HB2  LEU  20           HB2      LEU  20  -6.604  10.761   3.894
  155    HB3  LEU  20           HB1      LEU  20  -5.269   9.919   3.108
  156    HG   LEU  20           HG       LEU  20  -6.511   7.781   3.323
  157   HD11  LEU  20          HD11      LEU  20  -8.528   9.613   4.627
  158   HD12  LEU  20          HD12      LEU  20  -7.884   8.081   5.222
  159   HD13  LEU  20          HD13      LEU  20  -9.024   8.097   3.876
  160   HD21  LEU  20          HD21      LEU  20  -6.727   9.213   1.291
  161   HD22  LEU  20          HD22      LEU  20  -8.144   9.976   2.012
  162   HD23  LEU  20          HD23      LEU  20  -8.177   8.260   1.605
  163    HA   PRO  21           HA       PRO  21  -1.667  10.765   6.314
  164    HB2  PRO  21           HB2      PRO  21   0.192   9.442   4.837
  165    HB3  PRO  21           HB1      PRO  21  -0.595   8.693   6.233
  166    HG2  PRO  21           HG2      PRO  21  -1.200   8.344   3.328
  167    HG3  PRO  21           HG1      PRO  21  -1.090   7.123   4.610
  168    HD2  PRO  21           HD2      PRO  21  -3.482   8.130   3.726
  169    HD3  PRO  21           HD1      PRO  21  -3.225   7.541   5.385
  170    H    VAL  22           HN       VAL  22  -0.128  12.242   5.419
  171    HA   VAL  22           HA       VAL  22  -0.599  13.044   2.600
  172    HB   VAL  22           HB       VAL  22  -0.540  14.815   5.054
  173   HG11  VAL  22          HG11      VAL  22  -0.766  16.679   3.295
  174   HG12  VAL  22          HG12      VAL  22  -0.165  15.493   2.136
  175   HG13  VAL  22          HG13      VAL  22   0.837  15.975   3.503
  176   HG21  VAL  22          HG21      VAL  22  -2.714  13.800   4.372
  177   HG22  VAL  22          HG22      VAL  22  -2.537  14.559   2.790
  178   HG23  VAL  22          HG23      VAL  22  -2.708  15.558   4.232
  179    H    TYR  23           HN       TYR  23   1.156  13.455   1.472
  180    HA   TYR  23           HA       TYR  23   3.795  13.461   2.788
  181    HB2  TYR  23           HB2      TYR  23   2.963  12.446   0.098
  182    HB3  TYR  23           HB1      TYR  23   4.634  12.633   0.626
  183    HD1  TYR  23           HD1      TYR  23   1.411  11.082   1.733
  184    HD2  TYR  23           HD2      TYR  23   5.666  10.918   1.773
  185    HE1  TYR  23           HE1      TYR  23   1.307   8.903   2.889
  186    HE2  TYR  23           HE2      TYR  23   5.606   8.717   2.933
  187    HH   TYR  23           HH       TYR  23   3.853   7.517   4.472
  188    H    ALA  24           HN       ALA  24   5.446  14.750   1.902
  189    HA   ALA  24           HA       ALA  24   4.489  17.082   0.311
  190    HB1  ALA  24           HB1      ALA  24   5.796  18.551   1.582
  191    HB2  ALA  24           HB2      ALA  24   6.816  17.262   2.216
  192    HB3  ALA  24           HB3      ALA  24   5.165  17.448   2.805
  193    H    ASN  25           HN       ASN  25   5.801  17.820  -1.334
  194    HA   ASN  25           HA       ASN  25   8.190  16.174  -1.968
  195    HB2  ASN  25           HB2      ASN  25   6.134  17.308  -3.875
  196    HB3  ASN  25           HB1      ASN  25   7.602  16.454  -4.343
  197   HD21  ASN  25          HD21      ASN  25   4.387  15.900  -4.102
  198   HD22  ASN  25          HD22      ASN  25   4.392  14.265  -3.651
  199    H    GLU  26           HN       GLU  26   9.983  17.256  -2.137
  200    HA   GLU  26           HA       GLU  26   9.933  20.077  -3.070
  201    HB2  GLU  26           HB2      GLU  26  11.603  19.089  -0.747
  202    HB3  GLU  26           HB1      GLU  26  11.579  20.718  -1.403
  203    HG2  GLU  26           HG2      GLU  26   9.206  20.948  -0.826
  204    HG3  GLU  26           HG1      GLU  26   9.190  19.305  -0.188
  205    H    ARG  27           HN       ARG  27  11.321  20.393  -4.702
  206    HA   ARG  27           HA       ARG  27  13.599  18.520  -5.027
  207    HB2  ARG  27           HB2      ARG  27  11.744  17.979  -6.602
  208    HB3  ARG  27           HB1      ARG  27  11.853  19.617  -7.250
  209    HG2  ARG  27           HG2      ARG  27  14.260  19.180  -7.811
  210    HG3  ARG  27           HG1      ARG  27  14.041  17.516  -7.269
  211    HD2  ARG  27           HD2      ARG  27  12.171  17.314  -8.956
  212    HD3  ARG  27           HD1      ARG  27  12.640  18.897  -9.564
  213    HE   ARG  27           HE       ARG  27  14.115  16.407  -9.906
  214   HH11  ARG  27          HH21      ARG  27  14.108  19.870 -10.019
  215   HH12  ARG  27          HH22      ARG  27  15.471  19.974 -11.082
  216   HH21  ARG  27          HH11      ARG  27  15.901  16.540 -11.299
  217   HH22  ARG  27          HH12      ARG  27  16.484  18.090 -11.806
  218    H    GLU  28           HN       GLU  28  15.464  19.599  -4.965
  219    HA   GLU  28           HA       GLU  28  15.771  22.031  -6.487
  220    HB2  GLU  28           HB2      GLU  28  16.604  23.347  -4.546
  221    HB3  GLU  28           HB1      GLU  28  14.882  22.986  -4.431
  222    HG2  GLU  28           HG2      GLU  28  15.493  20.978  -3.020
  223    HG3  GLU  28           HG1      GLU  28  17.149  21.585  -2.995
  224    H    GLY  29           HN       GLY  29  17.819  22.101  -7.256
  225    HA2  GLY  29           HA2      GLY  29  20.182  21.735  -6.158
  226    HA3  GLY  29           HA1      GLY  29  19.690  20.061  -6.301
  227    HA   PRO  30           HA       PRO  30  21.383  22.304 -10.375
  228    HB2  PRO  30           HB2      PRO  30  23.736  20.585  -9.650
  229    HB3  PRO  30           HB1      PRO  30  23.706  22.152 -10.476
  230    HG2  PRO  30           HG2      PRO  30  24.355  21.907  -7.877
  231    HG3  PRO  30           HG1      PRO  30  23.532  23.335  -8.534
  232    HD2  PRO  30           HD2      PRO  30  22.442  21.219  -6.769
  233    HD3  PRO  30           HD1      PRO  30  21.850  22.865  -7.072
  234    HA   PRO  31           HA       PRO  31  20.254  18.817 -12.889
  235    HB2  PRO  31           HB2      PRO  31  22.869  19.057 -14.342
  236    HB3  PRO  31           HB1      PRO  31  21.217  19.056 -14.991
  237    HG2  PRO  31           HG2      PRO  31  22.621  21.305 -14.822
  238    HG3  PRO  31           HG1      PRO  31  20.880  21.285 -14.484
  239    HD2  PRO  31           HD2      PRO  31  23.174  21.442 -12.572
  240    HD3  PRO  31           HD1      PRO  31  21.574  22.209 -12.495
  241    H    HIS  32           HN       HIS  32  23.767  18.687 -12.256
  242    HA   HIS  32           HA       HIS  32  23.708  15.767 -12.097
  243    HB2  HIS  32           HB2      HIS  32  26.150  15.975 -11.874
  244    HB3  HIS  32           HB1      HIS  32  25.560  16.864 -13.280
  245    HD2  HIS  32           HD2      HIS  32  25.433  19.755 -12.859
  246    HE1  HIS  32           HE1      HIS  32  27.995  19.678  -9.504
  247    HE2  HIS  32           HE2      HIS  32  26.871  21.183 -11.213
  248    H    ALA  33           HN       ALA  33  22.852  18.094 -10.045
  249    HA   ALA  33           HA       ALA  33  23.612  16.482  -7.692
  250    HB1  ALA  33           HB1      ALA  33  25.153  18.513  -8.032
  251    HB2  ALA  33           HB2      ALA  33  24.401  18.317  -6.449
  252    HB3  ALA  33           HB3      ALA  33  23.751  19.486  -7.594
  253    HA   PRO  34           HA       PRO  34  19.203  17.958  -7.628
  254    HB2  PRO  34           HB2      PRO  34  17.909  15.639  -8.189
  255    HB3  PRO  34           HB1      PRO  34  18.530  16.704  -9.465
  256    HG2  PRO  34           HG2      PRO  34  19.650  14.147  -8.423
  257    HG3  PRO  34           HG1      PRO  34  19.655  14.792 -10.073
  258    HD2  PRO  34           HD2      PRO  34  21.819  14.917  -8.284
  259    HD3  PRO  34           HD1      PRO  34  21.630  15.912  -9.742
  260    H    ARG  35           HN       ARG  35  17.940  17.840  -5.801
  261    HA   ARG  35           HA       ARG  35  18.440  15.624  -3.906
  262    HB2  ARG  35           HB2      ARG  35  18.374  18.572  -3.253
  263    HB3  ARG  35           HB1      ARG  35  18.345  17.284  -2.053
  264    HG2  ARG  35           HG2      ARG  35  20.505  16.447  -2.874
  265    HG3  ARG  35           HG1      ARG  35  20.535  17.709  -4.106
  266    HD2  ARG  35           HD2      ARG  35  20.375  18.276  -1.138
  267    HD3  ARG  35           HD1      ARG  35  21.887  18.237  -2.040
  268    HE   ARG  35           HE       ARG  35  20.105  19.981  -3.354
  269   HH11  ARG  35          HH21      ARG  35  21.895  19.666  -0.408
  270   HH12  ARG  35          HH22      ARG  35  22.082  21.372  -0.177
  271   HH21  ARG  35          HH11      ARG  35  20.345  22.220  -3.057
  272   HH22  ARG  35          HH12      ARG  35  21.204  22.819  -1.676
  273    H    PHE  36           HN       PHE  36  16.620  14.693  -3.185
  274    HA   PHE  36           HA       PHE  36  14.074  16.183  -3.637
  275    HB2  PHE  36           HB2      PHE  36  14.563  13.202  -3.476
  276    HB3  PHE  36           HB1      PHE  36  13.023  13.990  -3.816
  277    HD1  PHE  36           HD2      PHE  36  12.746  15.322  -5.860
  278    HD2  PHE  36           HD1      PHE  36  16.243  12.974  -5.169
  279    HE1  PHE  36           HE2      PHE  36  13.275  15.413  -8.286
  280    HE2  PHE  36           HE1      PHE  36  16.816  13.109  -7.552
  281    HZ   PHE  36           HZ       PHE  36  15.335  14.311  -9.142
  282    H    ARG  37           HN       ARG  37  13.661  17.118  -1.684
  283    HA   ARG  37           HA       ARG  37  13.880  15.427   0.746
  284    HB2  ARG  37           HB2      ARG  37  13.557  18.428   0.373
  285    HB3  ARG  37           HB1      ARG  37  13.529  17.628   1.944
  286    HG2  ARG  37           HG2      ARG  37  15.786  16.771   1.590
  287    HG3  ARG  37           HG1      ARG  37  15.820  17.456  -0.034
  288    HD2  ARG  37           HD2      ARG  37  17.015  18.941   1.482
  289    HD3  ARG  37           HD1      ARG  37  15.530  19.727   0.953
  290    HE   ARG  37           HE       ARG  37  15.053  18.320   3.369
  291   HH11  ARG  37          HH21      ARG  37  16.694  21.082   2.079
  292   HH12  ARG  37          HH22      ARG  37  16.593  22.000   3.545
  293   HH21  ARG  37          HH11      ARG  37  14.916  19.518   5.293
  294   HH22  ARG  37          HH12      ARG  37  15.585  21.114   5.365
  295    H    CYS  38           HN       CYS  38  12.066  14.262   0.978
  296    HA   CYS  38           HA       CYS  38   9.446  15.639   0.699
  297    HB2  CYS  38           HB2      CYS  38  10.071  12.696   0.475
  298    HB3  CYS  38           HB1      CYS  38   8.488  13.439   0.271
  299    HG   CYS  38           HG       CYS  38  10.856  13.718  -1.731
  300    H    ASN  39           HN       ASN  39   8.142  15.779   2.366
  301    HA   ASN  39           HA       ASN  39   8.918  14.399   4.889
  302    HB2  ASN  39           HB2      ASN  39   7.442  16.996   4.427
  303    HB3  ASN  39           HB1      ASN  39   7.591  16.218   6.000
  304   HD21  ASN  39          HD21      ASN  39   8.735  18.799   5.489
  305   HD22  ASN  39          HD22      ASN  39  10.426  18.647   5.549
  306    H    VAL  40           HN       VAL  40   7.261  13.553   6.234
  307    HA   VAL  40           HA       VAL  40   4.719  12.944   4.818
  308    HB   VAL  40           HB       VAL  40   6.058  10.939   4.946
  309   HG11  VAL  40          HG11      VAL  40   7.132  10.166   6.893
  310   HG12  VAL  40          HG12      VAL  40   6.164  11.184   7.954
  311   HG13  VAL  40          HG13      VAL  40   7.427  11.898   6.953
  312   HG21  VAL  40          HG21      VAL  40   4.076  10.784   7.225
  313   HG22  VAL  40          HG22      VAL  40   4.521   9.513   6.085
  314   HG23  VAL  40          HG23      VAL  40   3.570  10.896   5.539
  315    H    THR  41           HN       THR  41   3.036  13.830   5.747
  316    HA   THR  41           HA       THR  41   3.176  14.611   8.597
  317    HB   THR  41           HB       THR  41   1.195  15.328   6.438
  318    HG1  THR  41           HG1      THR  41   3.545  16.185   6.765
  319   HG21  THR  41          HG21      THR  41   1.396  16.068   9.359
  320   HG22  THR  41          HG22      THR  41   0.011  15.385   8.506
  321   HG23  THR  41          HG23      THR  41   0.503  17.051   8.197
  322    H    PHE  42           HN       PHE  42   2.334  13.287  10.072
  323    HA   PHE  42           HA       PHE  42  -0.152  11.831   9.442
  324    HB2  PHE  42           HB2      PHE  42   2.071  10.439   9.106
  325    HB3  PHE  42           HB1      PHE  42   2.073  10.364  10.866
  326    HD1  PHE  42           HD1      PHE  42  -0.377  10.045   8.061
  327    HD2  PHE  42           HD2      PHE  42   0.994   8.505  11.817
  328    HE1  PHE  42           HE1      PHE  42  -2.097   8.275   7.947
  329    HE2  PHE  42           HE2      PHE  42  -0.725   6.710  11.700
  330    HZ   PHE  42           HZ       PHE  42  -2.265   6.609   9.785
  331    H    CYS  43           HN       CYS  43  -1.499  11.618  11.176
  332    HA   CYS  43           HA       CYS  43  -2.419  12.206  13.198
  333    HB2  CYS  43           HB2      CYS  43  -1.049  10.203  13.774
  334    HB3  CYS  43           HB1      CYS  43   0.274  11.280  14.222
  335    HG   CYS  43           HG       CYS  43  -0.996  12.039  16.268
  336    H    GLY  44           HN       GLY  44  -1.005  14.319  11.777
  337    HA2  GLY  44           HA2      GLY  44  -0.596  16.562  12.184
  338    HA3  GLY  44           HA1      GLY  44  -0.941  16.265  13.885
  339    H    GLN  45           HN       GLN  45   1.475  14.480  12.076
  340    HA   GLN  45           HA       GLN  45   3.651  15.996  13.384
  341    HB2  GLN  45           HB2      GLN  45   3.282  13.000  13.457
  342    HB3  GLN  45           HB1      GLN  45   4.748  13.854  13.951
  343    HG2  GLN  45           HG2      GLN  45   3.498  15.080  15.656
  344    HG3  GLN  45           HG1      GLN  45   2.000  14.307  15.141
  345   HE21  GLN  45          HE21      GLN  45   4.472  14.070  17.412
  346   HE22  GLN  45          HE22      GLN  45   4.291  12.433  17.819
  347    H    THR  46           HN       THR  46   5.320  16.385  12.071
  348    HA   THR  46           HA       THR  46   5.340  15.046   9.433
  349    HB   THR  46           HB       THR  46   6.445  17.006   8.581
  350    HG1  THR  46           HG1      THR  46   6.889  17.405  11.257
  351   HG21  THR  46          HG21      THR  46   4.690  18.600   8.820
  352   HG22  THR  46          HG22      THR  46   4.273  18.008  10.428
  353   HG23  THR  46          HG23      THR  46   3.925  17.021   9.007
  354    H    PHE  47           HN       PHE  47   6.706  13.372   9.501
  355    HA   PHE  47           HA       PHE  47   9.234  13.584  10.971
  356    HB2  PHE  47           HB2      PHE  47   7.802  11.305   9.604
  357    HB3  PHE  47           HB1      PHE  47   9.457  11.158  10.188
  358    HD1  PHE  47           HD1      PHE  47   6.009  12.075  11.258
  359    HD2  PHE  47           HD2      PHE  47   9.901  10.738  12.475
  360    HE1  PHE  47           HE1      PHE  47   5.152  11.647  13.548
  361    HE2  PHE  47           HE2      PHE  47   9.049  10.328  14.767
  362    HZ   PHE  47           HZ       PHE  47   6.672  10.786  15.304
  363    H    GLN  48           HN       GLN  48  11.227  13.599  10.016
  364    HA   GLN  48           HA       GLN  48  11.485  13.288   7.124
  365    HB2  GLN  48           HB2      GLN  48  10.860  15.672   7.410
  366    HB3  GLN  48           HB1      GLN  48  12.241  15.888   8.485
  367    HG2  GLN  48           HG2      GLN  48  13.773  15.245   6.675
  368    HG3  GLN  48           HG1      GLN  48  12.406  14.969   5.599
  369   HE21  GLN  48          HE21      GLN  48  12.602  16.671   4.102
  370   HE22  GLN  48          HE22      GLN  48  12.686  18.310   4.535
  371    H    SER  49           HN       SER  49  13.581  12.841   6.472
  372    HA   SER  49           HA       SER  49  15.363  11.935   8.591
  373    HB2  SER  49           HB2      SER  49  16.479  10.715   6.934
  374    HB3  SER  49           HB1      SER  49  14.803  10.696   6.386
  375    HG   SER  49           HG       SER  49  15.291  12.062   4.810
  376    H    SER  50           HN       SER  50  17.713  12.406   8.426
  377    HA   SER  50           HA       SER  50  18.114  15.285   8.082
  378    HB2  SER  50           HB2      SER  50  20.147  14.977   9.318
  379    HB3  SER  50           HB1      SER  50  18.882  14.068  10.139
  380    HG   SER  50           HG       SER  50  19.703  12.291   8.651
  381    H    GLU  51           HN       GLU  51  18.347  12.630   6.128
  382    HA   GLU  51           HA       GLU  51  20.528  13.841   4.513
  383    HB2  GLU  51           HB2      GLU  51  21.137  11.600   3.770
  384    HB3  GLU  51           HB1      GLU  51  21.224  11.698   5.529
  385    HG2  GLU  51           HG2      GLU  51  18.900  10.748   5.630
  386    HG3  GLU  51           HG1      GLU  51  18.979  10.501   3.888
  387    H    PHE  52           HN       PHE  52  20.228  14.008   2.392
  388    HA   PHE  52           HA       PHE  52  17.475  13.767   1.403
  389    HB2  PHE  52           HB2      PHE  52  18.922  14.872  -0.691
  390    HB3  PHE  52           HB1      PHE  52  18.085  15.796   0.555
  391    HD1  PHE  52           HD2      PHE  52  19.360  16.032   2.790
  392    HD2  PHE  52           HD1      PHE  52  21.207  15.233  -0.960
  393    HE1  PHE  52           HE2      PHE  52  21.517  16.976   3.672
  394    HE2  PHE  52           HE1      PHE  52  23.369  16.155  -0.125
  395    HZ   PHE  52           HZ       PHE  52  23.524  17.031   2.199
  396    H    PHE  53           HN       PHE  53  16.853  12.607  -0.261
  397    HA   PHE  53           HA       PHE  53  18.606  10.391  -1.044
  398    HB2  PHE  53           HB2      PHE  53  15.776  10.393  -1.987
  399    HB3  PHE  53           HB1      PHE  53  16.755   9.075  -1.338
  400    HD1  PHE  53           HD1      PHE  53  15.028  12.225  -0.374
  401    HD2  PHE  53           HD2      PHE  53  16.596   8.470   0.924
  402    HE1  PHE  53           HE1      PHE  53  13.982  12.577   1.834
  403    HE2  PHE  53           HE2      PHE  53  15.583   8.843   3.125
  404    HZ   PHE  53           HZ       PHE  53  14.259  10.866   3.599
  405    HA   PRO  54           HA       PRO  54  19.188  12.005  -5.142
  406    HB2  PRO  54           HB2      PRO  54  19.955   9.782  -6.478
  407    HB3  PRO  54           HB1      PRO  54  20.954  10.497  -5.195
  408    HG2  PRO  54           HG2      PRO  54  19.101   8.156  -5.052
  409    HG3  PRO  54           HG1      PRO  54  20.732   8.340  -4.381
  410    HD2  PRO  54           HD2      PRO  54  18.448   8.673  -2.887
  411    HD3  PRO  54           HD1      PRO  54  19.988   9.483  -2.526
  412    H    THR  55           HN       THR  55  16.585  10.030  -4.381
  413    HA   THR  55           HA       THR  55  15.353  10.495  -7.034
  414    HB   THR  55           HB       THR  55  14.156   8.173  -6.414
  415    HG1  THR  55           HG1      THR  55  16.205   8.394  -4.687
  416   HG21  THR  55          HG21      THR  55  16.915   8.436  -7.633
  417   HG22  THR  55          HG22      THR  55  15.372   8.530  -8.483
  418   HG23  THR  55          HG23      THR  55  15.892   7.006  -7.764
  419    H    LEU  56           HN       LEU  56  13.085  10.615  -7.036
  420    HA   LEU  56           HA       LEU  56  12.083  12.081  -4.817
  421    HB2  LEU  56           HB2      LEU  56  11.391  11.871  -7.465
  422    HB3  LEU  56           HB1      LEU  56  10.050  11.036  -6.687
  423    HG   LEU  56           HG       LEU  56  11.042  13.801  -5.932
  424   HD11  LEU  56          HD11      LEU  56   8.697  12.862  -7.566
  425   HD12  LEU  56          HD12      LEU  56  10.022  13.904  -8.079
  426   HD13  LEU  56          HD13      LEU  56   8.843  14.492  -6.908
  427   HD21  LEU  56          HD21      LEU  56   8.767  12.042  -4.982
  428   HD22  LEU  56          HD22      LEU  56   8.774  13.786  -4.721
  429   HD23  LEU  56          HD23      LEU  56  10.036  12.783  -4.010
  430    H    LYS  57           HN       LYS  57  10.656   9.071  -6.222
  431    HA   LYS  57           HA       LYS  57   8.980   8.496  -4.144
  432    HB2  LYS  57           HB2      LYS  57   9.024   6.184  -4.991
  433    HB3  LYS  57           HB1      LYS  57   8.979   7.337  -6.323
  434    HG2  LYS  57           HG2      LYS  57  11.464   7.154  -6.519
  435    HG3  LYS  57           HG1      LYS  57  11.443   5.914  -5.266
  436    HD2  LYS  57           HD2      LYS  57   9.988   4.507  -6.668
  437    HD3  LYS  57           HD1      LYS  57   9.989   5.745  -7.923
  438    HE2  LYS  57           HE2      LYS  57  12.434   5.530  -8.143
  439    HE3  LYS  57           HE1      LYS  57  12.444   4.299  -6.880
  440    HZ1  LYS  57           HZ1      LYS  57  11.673   2.749  -8.276
  441    HZ2  LYS  57           HZ2      LYS  57  12.211   3.791  -9.504
  442    HZ3  LYS  57           HZ3      LYS  57  10.581   3.805  -9.029
  443    H    SER  58           HN       SER  58  12.420   7.830  -4.433
  444    HA   SER  58           HA       SER  58  12.713   6.009  -2.326
  445    HB2  SER  58           HB2      SER  58  15.052   6.799  -2.234
  446    HB3  SER  58           HB1      SER  58  14.510   6.490  -3.880
  447    HG   SER  58           HG       SER  58  14.703   8.990  -2.540
  448    H    ALA  59           HN       ALA  59  12.378   9.521  -2.306
  449    HA   ALA  59           HA       ALA  59  13.113   9.862   0.431
  450    HB1  ALA  59           HB1      ALA  59  13.051  11.649  -1.385
  451    HB2  ALA  59           HB2      ALA  59  12.363  12.106   0.176
  452    HB3  ALA  59           HB3      ALA  59  11.307  11.666  -1.167
  453    H    GLU  60           HN       GLU  60  10.036   9.435  -1.266
  454    HA   GLU  60           HA       GLU  60   8.344   9.835   0.984
  455    HB2  GLU  60           HB2      GLU  60   7.941   8.290  -1.588
  456    HB3  GLU  60           HB1      GLU  60   6.668   8.574  -0.399
  457    HG2  GLU  60           HG2      GLU  60   6.916  10.989  -0.652
  458    HG3  GLU  60           HG1      GLU  60   8.270  10.761  -1.757
  459    H    HIS  61           HN       HIS  61   9.880   6.953  -0.396
  460    HA   HIS  61           HA       HIS  61   8.604   5.042   1.244
  461    HB2  HIS  61           HB2      HIS  61  11.386   4.922   0.054
  462    HB3  HIS  61           HB1      HIS  61  10.412   3.550   0.585
  463    HD2  HIS  61           HD2      HIS  61   7.607   4.986  -0.923
  464    HE1  HIS  61           HE1      HIS  61   9.806   4.024  -4.392
  465    HE2  HIS  61           HE2      HIS  61   7.509   4.638  -3.508
  466    H    ALA  62           HN       ALA  62  11.766   6.656   1.593
  467    HA   ALA  62           HA       ALA  62  12.398   5.480   4.096
  468    HB1  ALA  62           HB1      ALA  62  14.051   7.387   4.251
  469    HB2  ALA  62           HB2      ALA  62  13.398   7.978   2.723
  470    HB3  ALA  62           HB3      ALA  62  14.181   6.400   2.795
  471    H    ALA  63           HN       ALA  63  10.660   8.393   3.167
  472    HA   ALA  63           HA       ALA  63  10.608   9.716   5.634
  473    HB1  ALA  63           HB1      ALA  63   9.825  10.780   3.586
  474    HB2  ALA  63           HB2      ALA  63   8.534  10.784   4.787
  475    HB3  ALA  63           HB3      ALA  63   8.501   9.620   3.462
  476    H    ALA  64           HN       ALA  64   8.365   7.290   4.298
  477    HA   ALA  64           HA       ALA  64   6.643   7.260   6.554
  478    HB1  ALA  64           HB1      ALA  64   7.099   5.365   4.268
  479    HB2  ALA  64           HB2      ALA  64   5.721   6.425   4.559
  480    HB3  ALA  64           HB3      ALA  64   5.959   4.996   5.562
  481    H    LYS  65           HN       LYS  65   9.582   5.486   5.720
  482    HA   LYS  65           HA       LYS  65   9.472   3.378   7.519
  483    HB2  LYS  65           HB2      LYS  65  11.234   3.730   5.791
  484    HB3  LYS  65           HB1      LYS  65  11.918   5.001   6.803
  485    HG2  LYS  65           HG2      LYS  65  12.278   3.402   8.623
  486    HG3  LYS  65           HG1      LYS  65  11.548   2.120   7.656
  487    HD2  LYS  65           HD2      LYS  65  13.319   2.396   5.956
  488    HD3  LYS  65           HD1      LYS  65  14.051   3.672   6.930
  489    HE2  LYS  65           HE2      LYS  65  15.276   1.722   7.497
  490    HE3  LYS  65           HE1      LYS  65  14.138   1.928   8.828
  491    HZ1  LYS  65           HZ1      LYS  65  12.714   0.291   7.915
  492    HZ2  LYS  65           HZ2      LYS  65  14.280  -0.369   7.907
  493    HZ3  LYS  65           HZ3      LYS  65  13.596   0.218   6.468
  494    H    ILE  66           HN       ILE  66  10.684   6.691   8.086
  495    HA   ILE  66           HA       ILE  66  11.281   6.160  10.841
  496    HB   ILE  66           HB       ILE  66  11.544   8.658  10.934
  497   HG12  ILE  66          HG12      ILE  66  10.991   8.466   7.967
  498   HG13  ILE  66          HG11      ILE  66   9.838   9.101   9.143
  499   HG21  ILE  66          HG21      ILE  66  13.395   7.100  10.335
  500   HG22  ILE  66          HG22      ILE  66  13.549   8.668   9.542
  501   HG23  ILE  66          HG23      ILE  66  12.955   7.275   8.636
  502   HD11  ILE  66          HD11      ILE  66  11.720  10.711   9.853
  503   HD12  ILE  66          HD12      ILE  66  10.961  11.016   8.291
  504   HD13  ILE  66          HD13      ILE  66  12.534  10.222   8.368
  505    H    ALA  67           HN       ALA  67   8.538   7.331   9.044
  506    HA   ALA  67           HA       ALA  67   7.118   8.456  11.256
  507    HB1  ALA  67           HB1      ALA  67   6.737   8.836   8.736
  508    HB2  ALA  67           HB2      ALA  67   5.318   8.736   9.775
  509    HB3  ALA  67           HB3      ALA  67   5.790   7.351   8.789
  510    H    VAL  68           HN       VAL  68   6.766   5.376   9.534
  511    HA   VAL  68           HA       VAL  68   4.734   4.320  11.178
  512    HB   VAL  68           HB       VAL  68   5.339   3.454   8.904
  513   HG11  VAL  68          HG11      VAL  68   7.250   2.043   8.615
  514   HG12  VAL  68          HG12      VAL  68   7.587   2.038  10.347
  515   HG13  VAL  68          HG13      VAL  68   7.826   3.508   9.407
  516   HG21  VAL  68          HG21      VAL  68   5.508   1.324  11.049
  517   HG22  VAL  68          HG22      VAL  68   4.823   1.166   9.433
  518   HG23  VAL  68          HG23      VAL  68   4.011   2.161  10.640
  519    H    ALA  69           HN       ALA  69   8.210   4.461  11.498
  520    HA   ALA  69           HA       ALA  69   8.443   2.453  13.513
  521    HB1  ALA  69           HB1      ALA  69  10.692   3.278  13.806
  522    HB2  ALA  69           HB2      ALA  69  10.296   4.784  12.977
  523    HB3  ALA  69           HB3      ALA  69  10.330   3.264  12.080
  524    H    SER  70           HN       SER  70   7.722   5.874  13.497
  525    HA   SER  70           HA       SER  70   8.189   6.385  16.254
  526    HB2  SER  70           HB2      SER  70   7.996   8.181  14.578
  527    HB3  SER  70           HB1      SER  70   6.299   7.775  14.340
  528    HG   SER  70           HG       SER  70   7.439   9.288  16.243
  529    H    LEU  71           HN       LEU  71   5.318   5.427  14.427
  530    HA   LEU  71           HA       LEU  71   3.501   5.507  16.609
  531    HB2  LEU  71           HB2      LEU  71   3.309   3.767  14.142
  532    HB3  LEU  71           HB1      LEU  71   1.986   4.297  15.182
  533    HG   LEU  71           HG       LEU  71   3.769   6.125  13.546
  534   HD11  LEU  71          HD11      LEU  71   2.067   4.650  12.318
  535   HD12  LEU  71          HD12      LEU  71   1.931   6.389  12.058
  536   HD13  LEU  71          HD13      LEU  71   0.822   5.574  13.161
  537   HD21  LEU  71          HD21      LEU  71   1.816   7.747  14.210
  538   HD22  LEU  71          HD22      LEU  71   3.087   7.422  15.384
  539   HD23  LEU  71          HD23      LEU  71   1.534   6.598  15.519
  540    H    THR  72           HN       THR  72   5.766   3.119  15.464
  541    HA   THR  72           HA       THR  72   6.407   1.071  16.290
  542    HB   THR  72           HB       THR  72   5.143   2.044  18.862
  543    HG1  THR  72           HG1      THR  72   6.857   3.253  19.127
  544   HG21  THR  72          HG21      THR  72   6.927   0.592  19.855
  545   HG22  THR  72          HG22      THR  72   7.320   0.034  18.229
  546   HG23  THR  72          HG23      THR  72   5.735  -0.309  18.921
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  11.849  -3.621  -4.684
    2    H2   MET   1           HT2      MET   1  12.494  -2.682  -3.424
    3    H3   MET   1           HT3      MET   1  13.210  -2.649  -4.964
    4    HA   MET   1           HA       MET   1  11.760  -0.687  -4.346
    5    HB2  MET   1           HB2      MET   1  10.617  -0.831  -6.677
    6    HB3  MET   1           HB1      MET   1  12.378  -0.857  -6.614
    7    HG2  MET   1           HG2      MET   1  12.399  -3.287  -6.786
    8    HG3  MET   1           HG1      MET   1  10.638  -3.337  -6.712
    9    HE1  MET   1           HE1      MET   1   9.153  -3.302  -8.571
   10    HE2  MET   1           HE2      MET   1   9.331  -2.295 -10.005
   11    HE3  MET   1           HE3      MET   1   9.266  -1.544  -8.414
   12    H    ASP   2           HN       ASP   2  10.635  -3.386  -3.226
   13    HA   ASP   2           HA       ASP   2   7.899  -3.529  -3.898
   14    HB2  ASP   2           HB2      ASP   2   9.073  -5.326  -2.700
   15    HB3  ASP   2           HB1      ASP   2   9.272  -4.270  -1.303
   16    H    HIS   3           HN       HIS   3   9.642  -1.672  -1.443
   17    HA   HIS   3           HA       HIS   3   8.928  -0.052   0.043
   18    HB2  HIS   3           HB2      HIS   3   7.242   0.660  -2.371
   19    HB3  HIS   3           HB1      HIS   3   7.610   1.734  -1.021
   20    HD2  HIS   3           HD2      HIS   3  10.782  -0.163  -1.667
   21    HE1  HIS   3           HE1      HIS   3  11.041   3.216  -4.183
   22    HE2  HIS   3           HE2      HIS   3  12.346   1.286  -3.173
   23    H    VAL   4           HN       VAL   4   7.861  -1.505   1.525
   24    HA   VAL   4           HA       VAL   4   4.999  -1.930   1.204
   25    HB   VAL   4           HB       VAL   4   5.268  -3.206   3.317
   26   HG11  VAL   4          HG11      VAL   4   6.704  -4.995   2.322
   27   HG12  VAL   4          HG12      VAL   4   7.187  -3.855   1.066
   28   HG13  VAL   4          HG13      VAL   4   5.504  -4.368   1.193
   29   HG21  VAL   4          HG21      VAL   4   7.514  -3.586   4.209
   30   HG22  VAL   4          HG22      VAL   4   7.170  -1.854   4.223
   31   HG23  VAL   4          HG23      VAL   4   8.206  -2.541   2.971
   32    H    TYR   5           HN       TYR   5   7.151   0.272   2.733
   33    HA   TYR   5           HA       TYR   5   5.800   1.026   5.027
   34    HB2  TYR   5           HB2      TYR   5   7.095   3.039   3.190
   35    HB3  TYR   5           HB1      TYR   5   7.039   3.025   4.952
   36    HD1  TYR   5           HD1      TYR   5   8.456   1.268   1.995
   37    HD2  TYR   5           HD2      TYR   5   8.667   1.880   6.219
   38    HE1  TYR   5           HE1      TYR   5  10.592   0.017   2.065
   39    HE2  TYR   5           HE2      TYR   5  10.810   0.645   6.312
   40    HH   TYR   5           HH       TYR   5  12.501  -0.282   3.407
   41    H    LYS   6           HN       LYS   6   5.314   2.167   1.696
   42    HA   LYS   6           HA       LYS   6   3.327   4.080   2.273
   43    HB2  LYS   6           HB2      LYS   6   3.855   2.455  -0.223
   44    HB3  LYS   6           HB1      LYS   6   2.710   3.794  -0.140
   45    HG2  LYS   6           HG2      LYS   6   4.496   5.331   0.510
   46    HG3  LYS   6           HG1      LYS   6   5.657   4.003   0.539
   47    HD2  LYS   6           HD2      LYS   6   5.886   5.183  -1.575
   48    HD3  LYS   6           HD1      LYS   6   5.187   3.595  -1.883
   49    HE2  LYS   6           HE2      LYS   6   3.307   5.888  -1.402
   50    HE3  LYS   6           HE1      LYS   6   4.116   5.777  -2.966
   51    HZ1  LYS   6           HZ1      LYS   6   2.914   4.012  -3.547
   52    HZ2  LYS   6           HZ2      LYS   6   1.867   4.457  -2.284
   53    HZ3  LYS   6           HZ3      LYS   6   3.060   3.272  -2.028
   54    H    GLY   7           HN       GLY   7   3.129   0.625   1.505
   55    HA2  GLY   7           HA2      GLY   7   0.252   0.567   1.505
   56    HA3  GLY   7           HA1      GLY   7   1.325  -0.827   1.464
   57    H    GLN   8           HN       GLN   8   2.785   0.069   3.873
   58    HA   GLN   8           HA       GLN   8   1.094  -1.195   5.821
   59    HB2  GLN   8           HB2      GLN   8   3.850   0.020   5.932
   60    HB3  GLN   8           HB1      GLN   8   3.054  -0.635   7.362
   61    HG2  GLN   8           HG2      GLN   8   2.845  -2.818   6.301
   62    HG3  GLN   8           HG1      GLN   8   3.511  -2.191   4.800
   63   HE21  GLN   8          HE21      GLN   8   4.463  -4.170   7.128
   64   HE22  GLN   8          HE22      GLN   8   6.089  -3.717   7.317
   65    H    LEU   9           HN       LEU   9   2.431   2.056   5.425
   66    HA   LEU   9           HA       LEU   9   1.288   3.178   7.739
   67    HB2  LEU   9           HB2      LEU   9   3.116   4.225   6.376
   68    HB3  LEU   9           HB1      LEU   9   1.906   4.606   5.152
   69    HG   LEU   9           HG       LEU   9   0.609   5.859   6.905
   70   HD11  LEU   9          HD11      LEU   9   2.954   4.965   8.564
   71   HD12  LEU   9          HD12      LEU   9   1.250   5.086   9.003
   72   HD13  LEU   9          HD13      LEU   9   2.235   6.540   8.899
   73   HD21  LEU   9          HD21      LEU   9   1.931   7.188   5.443
   74   HD22  LEU   9          HD22      LEU   9   3.434   6.675   6.209
   75   HD23  LEU   9          HD23      LEU   9   2.332   7.753   7.064
   76    H    GLN  10           HN       GLN  10   0.109   2.966   4.431
   77    HA   GLN  10           HA       GLN  10  -2.209   4.475   4.880
   78    HB2  GLN  10           HB2      GLN  10  -1.372   3.984   2.616
   79    HB3  GLN  10           HB1      GLN  10  -1.722   2.274   2.858
   80    HG2  GLN  10           HG2      GLN  10  -4.089   2.699   3.006
   81    HG3  GLN  10           HG1      GLN  10  -3.828   4.441   3.028
   82   HE21  GLN  10          HE21      GLN  10  -2.729   1.719   0.910
   83   HE22  GLN  10          HE22      GLN  10  -3.118   2.510  -0.541
   84    H    ALA  11           HN       ALA  11  -1.560   1.018   5.118
   85    HA   ALA  11           HA       ALA  11  -4.245   0.244   5.684
   86    HB1  ALA  11           HB1      ALA  11  -2.377  -1.268   4.872
   87    HB2  ALA  11           HB2      ALA  11  -3.337  -1.901   6.208
   88    HB3  ALA  11           HB3      ALA  11  -1.738  -1.224   6.515
   89    H    TYR  12           HN       TYR  12  -1.477   1.189   7.665
   90    HA   TYR  12           HA       TYR  12  -2.462   0.434  10.180
   91    HB2  TYR  12           HB2      TYR  12  -0.149   1.127   9.871
   92    HB3  TYR  12           HB1      TYR  12  -0.667   2.751   9.420
   93    HD1  TYR  12           HD2      TYR  12  -1.660   4.272  11.091
   94    HD2  TYR  12           HD1      TYR  12  -0.186   0.386  12.180
   95    HE1  TYR  12           HE2      TYR  12  -1.700   4.927  13.483
   96    HE2  TYR  12           HE1      TYR  12  -0.228   1.041  14.571
   97    HH   TYR  12           HH       TYR  12  -0.575   4.253  15.590
   98    H    ALA  13           HN       ALA  13  -2.708   3.576   8.503
   99    HA   ALA  13           HA       ALA  13  -4.190   4.921  10.443
  100    HB1  ALA  13           HB1      ALA  13  -4.865   5.486   7.592
  101    HB2  ALA  13           HB2      ALA  13  -3.167   5.615   8.031
  102    HB3  ALA  13           HB3      ALA  13  -4.368   6.595   8.873
  103    H    LEU  14           HN       LEU  14  -5.327   3.025   7.647
  104    HA   LEU  14           HA       LEU  14  -8.068   3.403   8.098
  105    HB2  LEU  14           HB2      LEU  14  -7.130   2.515   5.988
  106    HB3  LEU  14           HB1      LEU  14  -6.676   1.032   6.823
  107    HG   LEU  14           HG       LEU  14  -9.109   0.709   7.430
  108   HD11  LEU  14          HD11      LEU  14 -10.649   2.059   5.777
  109   HD12  LEU  14          HD12      LEU  14  -9.321   3.218   5.776
  110   HD13  LEU  14          HD13      LEU  14 -10.132   2.804   7.287
  111   HD21  LEU  14          HD21      LEU  14  -9.795   0.155   5.031
  112   HD22  LEU  14          HD22      LEU  14  -8.298  -0.580   5.610
  113   HD23  LEU  14          HD23      LEU  14  -8.237   0.824   4.541
  114    H    GLN  15           HN       GLN  15  -5.844   0.868   9.197
  115    HA   GLN  15           HA       GLN  15  -7.777  -0.745  10.469
  116    HB2  GLN  15           HB2      GLN  15  -5.511  -1.540   9.939
  117    HB3  GLN  15           HB1      GLN  15  -4.837  -0.418  11.121
  118    HG2  GLN  15           HG2      GLN  15  -6.005  -1.536  12.933
  119    HG3  GLN  15           HG1      GLN  15  -6.861  -2.573  11.791
  120   HE21  GLN  15          HE21      GLN  15  -5.144  -3.590  13.907
  121   HE22  GLN  15          HE22      GLN  15  -3.833  -4.369  13.163
  122    H    HIS  16           HN       HIS  16  -5.826   1.975  11.608
  123    HA   HIS  16           HA       HIS  16  -6.954   1.788  14.299
  124    HB2  HIS  16           HB2      HIS  16  -4.912   3.615  13.027
  125    HB3  HIS  16           HB1      HIS  16  -5.503   3.832  14.674
  126    HD2  HIS  16           HD2      HIS  16  -4.111   2.326  16.525
  127    HE1  HIS  16           HE1      HIS  16  -2.411  -0.472  13.859
  128    HE2  HIS  16           HE2      HIS  16  -2.499   0.286  16.281
  129    H    ASN  17           HN       ASN  17  -8.097   2.886  11.463
  130    HA   ASN  17           HA       ASN  17  -9.759   4.345  10.855
  131    HB2  ASN  17           HB2      ASN  17 -10.805   3.274  12.913
  132    HB3  ASN  17           HB1      ASN  17 -10.272   4.695  13.810
  133   HD21  ASN  17          HD21      ASN  17 -12.592   5.252  14.149
  134   HD22  ASN  17          HD22      ASN  17 -13.479   5.964  12.889
  135    H    LEU  18           HN       LEU  18  -7.557   5.582  10.489
  136    HA   LEU  18           HA       LEU  18  -7.866   8.248  11.750
  137    HB2  LEU  18           HB2      LEU  18  -5.252   6.863  11.111
  138    HB3  LEU  18           HB1      LEU  18  -5.426   8.487  11.766
  139    HG   LEU  18           HG       LEU  18  -6.505   6.006  13.135
  140   HD11  LEU  18          HD11      LEU  18  -3.902   7.503  13.550
  141   HD12  LEU  18          HD12      LEU  18  -4.090   5.816  13.066
  142   HD13  LEU  18          HD13      LEU  18  -4.556   6.327  14.689
  143   HD21  LEU  18          HD21      LEU  18  -6.327   7.703  15.120
  144   HD22  LEU  18          HD22      LEU  18  -7.674   7.854  14.000
  145   HD23  LEU  18          HD23      LEU  18  -6.284   8.931  13.855
  146    H    GLU  19           HN       GLU  19  -7.420  10.010  10.434
  147    HA   GLU  19           HA       GLU  19  -8.155   9.928   7.792
  148    HB2  GLU  19           HB2      GLU  19  -6.263  11.862   9.156
  149    HB3  GLU  19           HB1      GLU  19  -7.000  12.131   7.576
  150    HG2  GLU  19           HG2      GLU  19  -8.565  11.636  10.124
  151    HG3  GLU  19           HG1      GLU  19  -8.250  13.232   9.447
  152    H    LEU  20           HN       LEU  20  -7.198   9.461   5.897
  153    HA   LEU  20           HA       LEU  20  -5.032   7.816   5.710
  154    HB2  LEU  20           HB2      LEU  20  -6.300   9.707   3.743
  155    HB3  LEU  20           HB1      LEU  20  -4.870   8.784   3.279
  156    HG   LEU  20           HG       LEU  20  -6.012   6.689   3.868
  157   HD11  LEU  20          HD11      LEU  20  -7.462   7.326   5.640
  158   HD12  LEU  20          HD12      LEU  20  -8.537   6.903   4.307
  159   HD13  LEU  20          HD13      LEU  20  -8.213   8.598   4.675
  160   HD21  LEU  20          HD21      LEU  20  -6.254   7.495   1.576
  161   HD22  LEU  20          HD22      LEU  20  -7.606   8.524   2.050
  162   HD23  LEU  20          HD23      LEU  20  -7.775   6.770   2.096
  163    HA   PRO  21           HA       PRO  21  -1.464  10.368   6.338
  164    HB2  PRO  21           HB2      PRO  21   0.398   8.999   4.855
  165    HB3  PRO  21           HB1      PRO  21  -0.230   8.395   6.394
  166    HG2  PRO  21           HG2      PRO  21  -1.003   7.629   3.615
  167    HG3  PRO  21           HG1      PRO  21  -0.771   6.605   5.044
  168    HD2  PRO  21           HD2      PRO  21  -3.247   7.369   4.170
  169    HD3  PRO  21           HD1      PRO  21  -2.880   7.055   5.880
  170    H    VAL  22           HN       VAL  22  -0.170  11.941   5.335
  171    HA   VAL  22           HA       VAL  22  -0.645  12.403   2.443
  172    HB   VAL  22           HB       VAL  22  -0.747  14.430   4.692
  173   HG11  VAL  22          HG11      VAL  22  -1.230  16.025   2.751
  174   HG12  VAL  22          HG12      VAL  22  -0.591  14.767   1.693
  175   HG13  VAL  22          HG13      VAL  22   0.444  15.496   2.921
  176   HG21  VAL  22          HG21      VAL  22  -2.822  13.138   4.287
  177   HG22  VAL  22          HG22      VAL  22  -2.773  13.610   2.588
  178   HG23  VAL  22          HG23      VAL  22  -3.019  14.831   3.836
  179    H    TYR  23           HN       TYR  23   1.138  12.676   1.320
  180    HA   TYR  23           HA       TYR  23   3.699  13.113   2.722
  181    HB2  TYR  23           HB2      TYR  23   3.084  11.929   0.028
  182    HB3  TYR  23           HB1      TYR  23   4.705  12.261   0.638
  183    HD1  TYR  23           HD1      TYR  23   1.540  10.544   1.664
  184    HD2  TYR  23           HD2      TYR  23   5.809  10.631   1.860
  185    HE1  TYR  23           HE1      TYR  23   1.519   8.418   2.918
  186    HE2  TYR  23           HE2      TYR  23   5.812   8.491   3.113
  187    HH   TYR  23           HH       TYR  23   3.012   6.532   3.387
  188    H    ALA  24           HN       ALA  24   5.220  14.587   1.878
  189    HA   ALA  24           HA       ALA  24   4.118  16.628   0.019
  190    HB1  ALA  24           HB1      ALA  24   5.196  18.370   1.313
  191    HB2  ALA  24           HB2      ALA  24   5.872  17.181   2.426
  192    HB3  ALA  24           HB3      ALA  24   4.130  17.450   2.373
  193    H    ASN  25           HN       ASN  25   5.421  17.130  -1.655
  194    HA   ASN  25           HA       ASN  25   8.141  15.950  -1.669
  195    HB2  ASN  25           HB2      ASN  25   6.244  16.643  -3.926
  196    HB3  ASN  25           HB1      ASN  25   7.894  16.062  -4.151
  197   HD21  ASN  25          HD21      ASN  25   7.259  14.397  -1.510
  198   HD22  ASN  25          HD22      ASN  25   6.470  13.033  -2.138
  199    H    GLU  26           HN       GLU  26   9.878  17.204  -2.017
  200    HA   GLU  26           HA       GLU  26   9.493  19.983  -2.943
  201    HB2  GLU  26           HB2      GLU  26  10.959  19.167  -0.426
  202    HB3  GLU  26           HB1      GLU  26  11.074  20.758  -1.171
  203    HG2  GLU  26           HG2      GLU  26   8.662  21.086  -0.919
  204    HG3  GLU  26           HG1      GLU  26   8.494  19.468  -0.241
  205    H    ARG  27           HN       ARG  27  11.333  20.881  -3.962
  206    HA   ARG  27           HA       ARG  27  13.529  18.970  -4.533
  207    HB2  ARG  27           HB2      ARG  27  11.987  19.192  -6.451
  208    HB3  ARG  27           HB1      ARG  27  12.266  20.935  -6.463
  209    HG2  ARG  27           HG2      ARG  27  14.654  20.580  -6.862
  210    HG3  ARG  27           HG1      ARG  27  14.434  18.833  -6.756
  211    HD2  ARG  27           HD2      ARG  27  14.499  19.463  -9.098
  212    HD3  ARG  27           HD1      ARG  27  12.857  18.967  -8.693
  213    HE   ARG  27           HE       ARG  27  13.117  21.768  -8.343
  214   HH11  ARG  27          HH21      ARG  27  13.002  19.300 -10.765
  215   HH12  ARG  27          HH22      ARG  27  12.322  20.332 -11.980
  216   HH21  ARG  27          HH11      ARG  27  12.227  23.128  -9.931
  217   HH22  ARG  27          HH12      ARG  27  11.884  22.497 -11.508
  218    H    GLU  28           HN       GLU  28  15.498  19.744  -4.138
  219    HA   GLU  28           HA       GLU  28  16.159  22.501  -4.469
  220    HB2  GLU  28           HB2      GLU  28  14.948  22.442  -2.230
  221    HB3  GLU  28           HB1      GLU  28  16.309  21.497  -1.628
  222    HG2  GLU  28           HG2      GLU  28  16.634  24.198  -2.964
  223    HG3  GLU  28           HG1      GLU  28  16.484  23.993  -1.221
  224    H    GLY  29           HN       GLY  29  18.055  22.121  -5.516
  225    HA2  GLY  29           HA2      GLY  29  20.412  21.461  -4.262
  226    HA3  GLY  29           HA1      GLY  29  19.783  19.930  -4.859
  227    HA   PRO  30           HA       PRO  30  22.581  22.001  -8.018
  228    HB2  PRO  30           HB2      PRO  30  22.891  19.084  -8.568
  229    HB3  PRO  30           HB1      PRO  30  24.110  20.372  -8.599
  230    HG2  PRO  30           HG2      PRO  30  23.916  18.679  -6.537
  231    HG3  PRO  30           HG1      PRO  30  24.364  20.380  -6.316
  232    HD2  PRO  30           HD2      PRO  30  21.800  19.015  -5.634
  233    HD3  PRO  30           HD1      PRO  30  22.528  20.469  -4.918
  234    HA   PRO  31           HA       PRO  31  19.149  22.008 -10.930
  235    HB2  PRO  31           HB2      PRO  31  21.364  22.380 -12.918
  236    HB3  PRO  31           HB1      PRO  31  19.870  23.313 -12.712
  237    HG2  PRO  31           HG2      PRO  31  22.259  24.217 -11.870
  238    HG3  PRO  31           HG1      PRO  31  20.750  24.593 -11.022
  239    HD2  PRO  31           HD2      PRO  31  22.950  22.781 -10.200
  240    HD3  PRO  31           HD1      PRO  31  21.724  23.606  -9.214
  241    H    HIS  32           HN       HIS  32  22.105  20.492 -12.300
  242    HA   HIS  32           HA       HIS  32  20.564  18.559 -13.758
  243    HB2  HIS  32           HB2      HIS  32  23.532  18.865 -13.263
  244    HB3  HIS  32           HB1      HIS  32  22.833  17.619 -14.298
  245    HD2  HIS  32           HD2      HIS  32  23.917  21.287 -14.549
  246    HE1  HIS  32           HE1      HIS  32  21.490  20.542 -17.923
  247    HE2  HIS  32           HE2      HIS  32  23.101  22.193 -16.859
  248    H    ALA  33           HN       ALA  33  21.631  18.764 -10.498
  249    HA   ALA  33           HA       ALA  33  20.971  15.955 -10.105
  250    HB1  ALA  33           HB1      ALA  33  23.248  15.565 -10.124
  251    HB2  ALA  33           HB2      ALA  33  23.058  16.047  -8.438
  252    HB3  ALA  33           HB3      ALA  33  23.642  17.209  -9.631
  253    HA   PRO  34           HA       PRO  34  19.400  18.981  -6.945
  254    HB2  PRO  34           HB2      PRO  34  16.727  18.639  -7.342
  255    HB3  PRO  34           HB1      PRO  34  17.703  19.773  -8.298
  256    HG2  PRO  34           HG2      PRO  34  16.692  17.068  -9.017
  257    HG3  PRO  34           HG1      PRO  34  16.900  18.502 -10.035
  258    HD2  PRO  34           HD2      PRO  34  18.675  16.334  -9.935
  259    HD3  PRO  34           HD1      PRO  34  19.081  17.948 -10.555
  260    H    ARG  35           HN       ARG  35  18.355  18.543  -4.902
  261    HA   ARG  35           HA       ARG  35  18.244  15.650  -4.288
  262    HB2  ARG  35           HB2      ARG  35  18.481  18.065  -2.477
  263    HB3  ARG  35           HB1      ARG  35  18.428  16.388  -1.937
  264    HG2  ARG  35           HG2      ARG  35  20.457  15.881  -3.200
  265    HG3  ARG  35           HG1      ARG  35  20.504  17.529  -3.828
  266    HD2  ARG  35           HD2      ARG  35  20.709  18.388  -1.513
  267    HD3  ARG  35           HD1      ARG  35  20.722  16.736  -0.911
  268    HE   ARG  35           HE       ARG  35  22.900  18.107  -2.260
  269   HH11  ARG  35          HH21      ARG  35  21.471  15.108  -1.296
  270   HH12  ARG  35          HH22      ARG  35  22.960  14.223  -1.346
  271   HH21  ARG  35          HH11      ARG  35  24.856  16.956  -2.329
  272   HH22  ARG  35          HH12      ARG  35  24.876  15.269  -1.931
  273    H    PHE  36           HN       PHE  36  16.420  14.738  -3.309
  274    HA   PHE  36           HA       PHE  36  13.975  16.416  -3.462
  275    HB2  PHE  36           HB2      PHE  36  14.338  13.419  -3.644
  276    HB3  PHE  36           HB1      PHE  36  12.796  14.271  -3.734
  277    HD1  PHE  36           HD2      PHE  36  12.252  15.667  -5.621
  278    HD2  PHE  36           HD1      PHE  36  15.950  13.536  -5.467
  279    HE1  PHE  36           HE2      PHE  36  12.560  16.043  -8.040
  280    HE2  PHE  36           HE1      PHE  36  16.298  13.946  -7.869
  281    HZ   PHE  36           HZ       PHE  36  14.600  15.187  -9.191
  282    H    ARG  37           HN       ARG  37  13.579  17.177  -1.467
  283    HA   ARG  37           HA       ARG  37  13.838  15.352   0.847
  284    HB2  ARG  37           HB2      ARG  37  13.321  18.348   0.694
  285    HB3  ARG  37           HB1      ARG  37  13.463  17.424   2.189
  286    HG2  ARG  37           HG2      ARG  37  15.746  16.756   1.581
  287    HG3  ARG  37           HG1      ARG  37  15.612  17.643   0.062
  288    HD2  ARG  37           HD2      ARG  37  15.241  19.737   1.350
  289    HD3  ARG  37           HD1      ARG  37  15.460  18.834   2.847
  290    HE   ARG  37           HE       ARG  37  17.704  18.392   1.204
  291   HH11  ARG  37          HH21      ARG  37  16.110  20.909   2.959
  292   HH12  ARG  37          HH22      ARG  37  17.562  21.798   3.276
  293   HH21  ARG  37          HH11      ARG  37  19.614  19.548   1.617
  294   HH22  ARG  37          HH12      ARG  37  19.547  21.027   2.516
  295    H    CYS  38           HN       CYS  38  12.068  14.129   1.105
  296    HA   CYS  38           HA       CYS  38   9.406  15.368   0.722
  297    HB2  CYS  38           HB2      CYS  38   9.978  13.400  -0.716
  298    HB3  CYS  38           HB1      CYS  38  10.079  12.427   0.753
  299    HG   CYS  38           HG       CYS  38   7.520  13.077   1.182
  300    H    ASN  39           HN       ASN  39   8.027  15.486   2.373
  301    HA   ASN  39           HA       ASN  39   8.834  14.242   4.951
  302    HB2  ASN  39           HB2      ASN  39   7.323  16.789   4.354
  303    HB3  ASN  39           HB1      ASN  39   7.383  16.053   5.956
  304   HD21  ASN  39          HD21      ASN  39   8.526  18.642   5.411
  305   HD22  ASN  39          HD22      ASN  39  10.209  18.517   5.601
  306    H    VAL  40           HN       VAL  40   7.113  13.501   6.335
  307    HA   VAL  40           HA       VAL  40   4.667  12.698   4.848
  308    HB   VAL  40           HB       VAL  40   6.070  10.750   5.156
  309   HG11  VAL  40          HG11      VAL  40   7.031  10.112   7.233
  310   HG12  VAL  40          HG12      VAL  40   6.015  11.229   8.141
  311   HG13  VAL  40          HG13      VAL  40   7.327  11.847   7.139
  312   HG21  VAL  40          HG21      VAL  40   3.553  10.673   5.634
  313   HG22  VAL  40          HG22      VAL  40   3.986  10.657   7.344
  314   HG23  VAL  40          HG23      VAL  40   4.515   9.348   6.288
  315    H    THR  41           HN       THR  41   2.909  13.561   5.674
  316    HA   THR  41           HA       THR  41   2.926  14.567   8.444
  317    HB   THR  41           HB       THR  41   0.935  14.957   6.201
  318    HG1  THR  41           HG1      THR  41   3.236  15.973   6.444
  319   HG21  THR  41          HG21      THR  41  -0.264  15.160   8.247
  320   HG22  THR  41          HG22      THR  41   0.148  16.810   7.783
  321   HG23  THR  41          HG23      THR  41   1.078  15.989   9.036
  322    H    PHE  42           HN       PHE  42   2.095  13.373  10.028
  323    HA   PHE  42           HA       PHE  42  -0.274  11.717   9.483
  324    HB2  PHE  42           HB2      PHE  42   2.079  10.446   9.375
  325    HB3  PHE  42           HB1      PHE  42   1.921  10.476  11.131
  326    HD1  PHE  42           HD1      PHE  42  -0.244   9.865   8.151
  327    HD2  PHE  42           HD2      PHE  42   0.853   8.621  12.096
  328    HE1  PHE  42           HE1      PHE  42  -1.867   8.003   7.995
  329    HE2  PHE  42           HE2      PHE  42  -0.764   6.738  11.945
  330    HZ   PHE  42           HZ       PHE  42  -2.121   6.435   9.908
  331    H    CYS  43           HN       CYS  43  -1.719  11.837  11.112
  332    HA   CYS  43           HA       CYS  43  -2.698  12.607  13.034
  333    HB2  CYS  43           HB2      CYS  43  -1.492  10.598  13.854
  334    HB3  CYS  43           HB1      CYS  43  -0.107  11.620  14.250
  335    HG   CYS  43           HG       CYS  43  -2.831  11.636  15.743
  336    H    GLY  44           HN       GLY  44  -1.112  14.534  11.530
  337    HA2  GLY  44           HA2      GLY  44  -0.663  16.790  11.793
  338    HA3  GLY  44           HA1      GLY  44  -1.051  16.625  13.502
  339    H    GLN  45           HN       GLN  45   1.340  14.645  11.875
  340    HA   GLN  45           HA       GLN  45   3.528  16.172  13.162
  341    HB2  GLN  45           HB2      GLN  45   3.102  13.185  13.289
  342    HB3  GLN  45           HB1      GLN  45   4.575  14.020  13.788
  343    HG2  GLN  45           HG2      GLN  45   3.310  15.316  15.438
  344    HG3  GLN  45           HG1      GLN  45   1.817  14.529  14.930
  345   HE21  GLN  45          HE21      GLN  45   4.182  14.379  17.283
  346   HE22  GLN  45          HE22      GLN  45   4.031  12.745  17.714
  347    H    THR  46           HN       THR  46   5.154  16.588  11.822
  348    HA   THR  46           HA       THR  46   5.257  15.129   9.252
  349    HB   THR  46           HB       THR  46   6.464  17.105   8.407
  350    HG1  THR  46           HG1      THR  46   6.948  18.731   9.707
  351   HG21  THR  46          HG21      THR  46   4.007  16.994   8.223
  352   HG22  THR  46          HG22      THR  46   4.549  18.655   8.459
  353   HG23  THR  46          HG23      THR  46   3.856  17.756   9.807
  354    H    PHE  47           HN       PHE  47   6.656  13.497   9.417
  355    HA   PHE  47           HA       PHE  47   9.143  13.826  10.930
  356    HB2  PHE  47           HB2      PHE  47   7.821  11.462   9.612
  357    HB3  PHE  47           HB1      PHE  47   9.452  11.388  10.279
  358    HD1  PHE  47           HD1      PHE  47   5.918  12.153  11.119
  359    HD2  PHE  47           HD2      PHE  47   9.817  11.203  12.627
  360    HE1  PHE  47           HE1      PHE  47   4.960  11.812  13.389
  361    HE2  PHE  47           HE2      PHE  47   8.871  10.880  14.895
  362    HZ   PHE  47           HZ       PHE  47   6.441  11.187  15.277
  363    H    GLN  48           HN       GLN  48  11.169  13.799  10.019
  364    HA   GLN  48           HA       GLN  48  11.391  13.611   7.082
  365    HB2  GLN  48           HB2      GLN  48  12.836  15.615   7.059
  366    HB3  GLN  48           HB1      GLN  48  11.194  15.997   7.580
  367    HG2  GLN  48           HG2      GLN  48  11.960  15.815   9.955
  368    HG3  GLN  48           HG1      GLN  48  13.607  15.588   9.368
  369   HE21  GLN  48          HE21      GLN  48  14.525  17.585  10.056
  370   HE22  GLN  48          HE22      GLN  48  13.974  19.095   9.515
  371    H    SER  49           HN       SER  49  13.606  13.301   6.356
  372    HA   SER  49           HA       SER  49  15.156  11.734   8.320
  373    HB2  SER  49           HB2      SER  49  14.427  10.736   6.096
  374    HB3  SER  49           HB1      SER  49  15.559  11.846   5.329
  375    HG   SER  49           HG       SER  49  16.274   9.609   6.030
  376    H    SER  50           HN       SER  50  17.511  11.901   8.239
  377    HA   SER  50           HA       SER  50  18.345  14.704   8.054
  378    HB2  SER  50           HB2      SER  50  20.316  13.991   9.279
  379    HB3  SER  50           HB1      SER  50  18.877  13.361  10.076
  380    HG   SER  50           HG       SER  50  20.730  11.874   9.644
  381    H    GLU  51           HN       GLU  51  18.296  12.035   6.056
  382    HA   GLU  51           HA       GLU  51  20.681  12.956   4.540
  383    HB2  GLU  51           HB2      GLU  51  19.435  10.199   4.678
  384    HB3  GLU  51           HB1      GLU  51  20.766  10.659   3.617
  385    HG2  GLU  51           HG2      GLU  51  21.887   9.736   5.465
  386    HG3  GLU  51           HG1      GLU  51  21.934  11.461   5.811
  387    H    PHE  52           HN       PHE  52  20.459  13.414   2.457
  388    HA   PHE  52           HA       PHE  52  17.719  13.628   1.406
  389    HB2  PHE  52           HB2      PHE  52  19.931  14.666  -0.265
  390    HB3  PHE  52           HB1      PHE  52  18.442  15.457   0.252
  391    HD1  PHE  52           HD1      PHE  52  21.723  14.300   1.460
  392    HD2  PHE  52           HD2      PHE  52  18.494  17.019   1.997
  393    HE1  PHE  52           HE1      PHE  52  23.065  15.521   3.203
  394    HE2  PHE  52           HE2      PHE  52  19.789  18.249   3.731
  395    HZ   PHE  52           HZ       PHE  52  22.077  17.504   4.337
  396    H    PHE  53           HN       PHE  53  17.084  12.756  -0.452
  397    HA   PHE  53           HA       PHE  53  18.742  10.571  -1.529
  398    HB2  PHE  53           HB2      PHE  53  15.869  10.572  -2.254
  399    HB3  PHE  53           HB1      PHE  53  16.907   9.245  -1.723
  400    HD1  PHE  53           HD1      PHE  53  15.160  12.301  -0.515
  401    HD2  PHE  53           HD2      PHE  53  16.887   8.532   0.519
  402    HE1  PHE  53           HE1      PHE  53  14.231  12.527   1.763
  403    HE2  PHE  53           HE2      PHE  53  15.990   8.778   2.787
  404    HZ   PHE  53           HZ       PHE  53  14.644  10.743   3.430
  405    HA   PRO  54           HA       PRO  54  18.916  12.718  -5.407
  406    HB2  PRO  54           HB2      PRO  54  19.668  10.696  -7.061
  407    HB3  PRO  54           HB1      PRO  54  20.751  11.366  -5.824
  408    HG2  PRO  54           HG2      PRO  54  19.154   8.845  -5.775
  409    HG3  PRO  54           HG1      PRO  54  20.788   9.159  -5.165
  410    HD2  PRO  54           HD2      PRO  54  18.512   9.095  -3.568
  411    HD3  PRO  54           HD1      PRO  54  20.023   9.934  -3.154
  412    H    THR  55           HN       THR  55  16.527  10.506  -4.683
  413    HA   THR  55           HA       THR  55  15.035  11.153  -7.166
  414    HB   THR  55           HB       THR  55  14.046   8.723  -6.774
  415    HG1  THR  55           HG1      THR  55  16.095   7.499  -6.128
  416   HG21  THR  55          HG21      THR  55  15.883   7.802  -8.232
  417   HG22  THR  55          HG22      THR  55  16.740   9.328  -8.013
  418   HG23  THR  55          HG23      THR  55  15.171   9.305  -8.819
  419    H    LEU  56           HN       LEU  56  12.798  11.185  -6.975
  420    HA   LEU  56           HA       LEU  56  11.875  12.304  -4.555
  421    HB2  LEU  56           HB2      LEU  56  10.933  12.145  -7.175
  422    HB3  LEU  56           HB1      LEU  56   9.719  11.269  -6.249
  423    HG   LEU  56           HG       LEU  56  10.740  14.023  -5.509
  424   HD11  LEU  56          HD11      LEU  56   8.508  14.766  -6.323
  425   HD12  LEU  56          HD12      LEU  56   8.280  13.160  -7.011
  426   HD13  LEU  56          HD13      LEU  56   9.585  14.192  -7.592
  427   HD21  LEU  56          HD21      LEU  56   9.019  14.023  -3.869
  428   HD22  LEU  56          HD22      LEU  56   9.718  12.413  -3.740
  429   HD23  LEU  56          HD23      LEU  56   8.201  12.644  -4.605
  430    H    LYS  57           HN       LYS  57  10.678   9.272  -6.119
  431    HA   LYS  57           HA       LYS  57   9.178   8.351  -4.037
  432    HB2  LYS  57           HB2      LYS  57   9.484   6.118  -5.034
  433    HB3  LYS  57           HB1      LYS  57   9.228   7.337  -6.283
  434    HG2  LYS  57           HG2      LYS  57  11.709   7.498  -6.576
  435    HG3  LYS  57           HG1      LYS  57  11.899   6.183  -5.416
  436    HD2  LYS  57           HD2      LYS  57  10.559   4.704  -6.861
  437    HD3  LYS  57           HD1      LYS  57  10.371   6.015  -8.028
  438    HE2  LYS  57           HE2      LYS  57  12.805   6.102  -8.350
  439    HE3  LYS  57           HE1      LYS  57  13.021   4.823  -7.155
  440    HZ1  LYS  57           HZ1      LYS  57  11.124   4.072  -9.130
  441    HZ2  LYS  57           HZ2      LYS  57  12.559   3.291  -8.667
  442    HZ3  LYS  57           HZ3      LYS  57  12.594   4.507  -9.854
  443    H    SER  58           HN       SER  58  12.667   8.115  -4.477
  444    HA   SER  58           HA       SER  58  13.241   6.200  -2.521
  445    HB2  SER  58           HB2      SER  58  14.801   8.558  -3.564
  446    HB3  SER  58           HB1      SER  58  15.467   7.438  -2.378
  447    HG   SER  58           HG       SER  58  15.917   6.261  -4.059
  448    H    ALA  59           HN       ALA  59  12.510   9.628  -2.261
  449    HA   ALA  59           HA       ALA  59  13.296   9.873   0.473
  450    HB1  ALA  59           HB1      ALA  59  11.319  11.599  -0.995
  451    HB2  ALA  59           HB2      ALA  59  13.053  11.757  -1.218
  452    HB3  ALA  59           HB3      ALA  59  12.339  12.057   0.366
  453    H    GLU  60           HN       GLU  60  10.171   9.455  -1.161
  454    HA   GLU  60           HA       GLU  60   8.524   9.537   1.114
  455    HB2  GLU  60           HB2      GLU  60   8.207   8.056  -1.506
  456    HB3  GLU  60           HB1      GLU  60   6.938   8.183  -0.287
  457    HG2  GLU  60           HG2      GLU  60   6.987  10.621  -0.442
  458    HG3  GLU  60           HG1      GLU  60   8.319  10.544  -1.594
  459    H    HIS  61           HN       HIS  61  10.424   6.920  -0.308
  460    HA   HIS  61           HA       HIS  61   9.315   4.778   1.151
  461    HB2  HIS  61           HB2      HIS  61  10.680   4.174  -0.674
  462    HB3  HIS  61           HB1      HIS  61  11.990   5.235  -0.162
  463    HD2  HIS  61           HD2      HIS  61  11.018   1.556   0.183
  464    HE1  HIS  61           HE1      HIS  61  13.816   2.300   3.255
  465    HE2  HIS  61           HE2      HIS  61  12.567   0.486   1.992
  466    H    ALA  62           HN       ALA  62  12.383   6.505   1.753
  467    HA   ALA  62           HA       ALA  62  12.803   5.349   4.298
  468    HB1  ALA  62           HB1      ALA  62  13.879   8.033   3.456
  469    HB2  ALA  62           HB2      ALA  62  14.504   6.527   2.781
  470    HB3  ALA  62           HB3      ALA  62  14.625   6.835   4.513
  471    H    ALA  63           HN       ALA  63  11.147   8.261   3.240
  472    HA   ALA  63           HA       ALA  63  10.903   9.571   5.703
  473    HB1  ALA  63           HB1      ALA  63   9.006  10.739   4.698
  474    HB2  ALA  63           HB2      ALA  63   8.902   9.516   3.432
  475    HB3  ALA  63           HB3      ALA  63  10.306  10.579   3.518
  476    H    ALA  64           HN       ALA  64   8.581   7.330   4.126
  477    HA   ALA  64           HA       ALA  64   6.702   7.299   6.186
  478    HB1  ALA  64           HB1      ALA  64   6.031   5.090   5.214
  479    HB2  ALA  64           HB2      ALA  64   7.449   5.175   4.169
  480    HB3  ALA  64           HB3      ALA  64   6.169   6.379   4.022
  481    H    LYS  65           HN       LYS  65   9.616   5.325   5.709
  482    HA   LYS  65           HA       LYS  65   9.219   3.453   7.745
  483    HB2  LYS  65           HB2      LYS  65  11.044   3.380   6.040
  484    HB3  LYS  65           HB1      LYS  65  11.844   4.703   6.889
  485    HG2  LYS  65           HG2      LYS  65  12.054   3.355   8.898
  486    HG3  LYS  65           HG1      LYS  65  11.126   2.049   8.162
  487    HD2  LYS  65           HD2      LYS  65  12.873   1.811   6.415
  488    HD3  LYS  65           HD1      LYS  65  13.810   3.086   7.198
  489    HE2  LYS  65           HE2      LYS  65  12.957   0.535   8.592
  490    HE3  LYS  65           HE1      LYS  65  14.529   0.751   7.825
  491    HZ1  LYS  65           HZ1      LYS  65  14.568   1.240  10.212
  492    HZ2  LYS  65           HZ2      LYS  65  13.436   2.485   9.974
  493    HZ3  LYS  65           HZ3      LYS  65  14.982   2.594   9.280
  494    H    ILE  66           HN       ILE  66  10.874   6.637   7.909
  495    HA   ILE  66           HA       ILE  66  11.599   6.529  10.591
  496    HB   ILE  66           HB       ILE  66  10.785   8.902   8.882
  497   HG12  ILE  66          HG12      ILE  66  13.537   7.919   9.690
  498   HG13  ILE  66          HG11      ILE  66  12.760   7.469   8.170
  499   HG21  ILE  66          HG21      ILE  66  12.152  10.186  10.571
  500   HG22  ILE  66          HG22      ILE  66  12.121   8.748  11.593
  501   HG23  ILE  66          HG23      ILE  66  10.618   9.575  11.185
  502   HD11  ILE  66          HD11      ILE  66  12.698   9.746   7.425
  503   HD12  ILE  66          HD12      ILE  66  14.326   9.468   8.042
  504   HD13  ILE  66          HD13      ILE  66  13.153  10.347   9.019
  505    H    ALA  67           HN       ALA  67   8.602   7.774   9.116
  506    HA   ALA  67           HA       ALA  67   7.387   8.508  11.586
  507    HB1  ALA  67           HB1      ALA  67   5.255   8.430  10.166
  508    HB2  ALA  67           HB2      ALA  67   6.309   8.003   8.817
  509    HB3  ALA  67           HB3      ALA  67   6.521   9.540   9.648
  510    H    VAL  68           HN       VAL  68   7.072   5.642   9.504
  511    HA   VAL  68           HA       VAL  68   5.127   4.287  10.947
  512    HB   VAL  68           HB       VAL  68   7.407   3.344   9.210
  513   HG11  VAL  68          HG11      VAL  68   7.148   1.479  10.621
  514   HG12  VAL  68          HG12      VAL  68   6.089   1.112   9.262
  515   HG13  VAL  68          HG13      VAL  68   5.408   1.718  10.774
  516   HG21  VAL  68          HG21      VAL  68   4.430   3.072   8.768
  517   HG22  VAL  68          HG22      VAL  68   5.725   3.009   7.571
  518   HG23  VAL  68          HG23      VAL  68   5.297   4.544   8.328
  519    H    ALA  69           HN       ALA  69   8.655   4.375  11.373
  520    HA   ALA  69           HA       ALA  69   8.754   2.410  13.411
  521    HB1  ALA  69           HB1      ALA  69  11.000   3.350  13.867
  522    HB2  ALA  69           HB2      ALA  69  10.641   4.691  12.780
  523    HB3  ALA  69           HB3      ALA  69  10.741   3.047  12.149
  524    H    SER  70           HN       SER  70   7.987   5.805  13.383
  525    HA   SER  70           HA       SER  70   8.421   6.330  16.144
  526    HB2  SER  70           HB2      SER  70   6.483   7.716  14.284
  527    HB3  SER  70           HB1      SER  70   7.154   8.356  15.779
  528    HG   SER  70           HG       SER  70   8.713   7.529  13.555
  529    H    LEU  71           HN       LEU  71   5.626   5.244  14.283
  530    HA   LEU  71           HA       LEU  71   3.762   5.333  16.434
  531    HB2  LEU  71           HB2      LEU  71   3.653   3.557  13.988
  532    HB3  LEU  71           HB1      LEU  71   2.299   4.074  14.994
  533    HG   LEU  71           HG       LEU  71   4.072   5.908  13.352
  534   HD11  LEU  71          HD11      LEU  71   2.614   4.663  11.892
  535   HD12  LEU  71          HD12      LEU  71   1.914   6.270  12.086
  536   HD13  LEU  71          HD13      LEU  71   1.240   4.903  12.973
  537   HD21  LEU  71          HD21      LEU  71   1.821   6.376  15.306
  538   HD22  LEU  71          HD22      LEU  71   2.088   7.509  13.981
  539   HD23  LEU  71          HD23      LEU  71   3.361   7.224  15.164
  540    H    THR  72           HN       THR  72   6.109   2.993  15.356
  541    HA   THR  72           HA       THR  72   5.879   1.511  17.810
  542    HB   THR  72           HB       THR  72   4.028   0.422  16.805
  543    HG1  THR  72           HG1      THR  72   6.375  -0.831  17.062
  544   HG21  THR  72          HG21      THR  72   4.317  -0.560  14.447
  545   HG22  THR  72          HG22      THR  72   5.707   0.513  14.298
  546   HG23  THR  72          HG23      THR  72   4.098   1.186  14.561
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  15.817  -1.376  -3.007
    2    H2   MET   1           HT2      MET   1  15.680   0.013  -3.976
    3    H3   MET   1           HT3      MET   1  14.559  -1.253  -4.139
    4    HA   MET   1           HA       MET   1  14.602  -0.409  -1.453
    5    HB2  MET   1           HB2      MET   1  14.215   1.740  -3.556
    6    HB3  MET   1           HB1      MET   1  13.680   1.896  -1.882
    7    HG2  MET   1           HG2      MET   1  15.995   1.560  -1.105
    8    HG3  MET   1           HG1      MET   1  16.536   1.400  -2.777
    9    HE1  MET   1           HE1      MET   1  18.034   3.167  -1.178
   10    HE2  MET   1           HE2      MET   1  18.027   4.794  -1.855
   11    HE3  MET   1           HE3      MET   1  18.238   3.404  -2.919
   12    H    ASP   2           HN       ASP   2  12.817  -1.507  -0.924
   13    HA   ASP   2           HA       ASP   2  10.652  -1.868  -2.855
   14    HB2  ASP   2           HB2      ASP   2  11.215  -3.001  -0.115
   15    HB3  ASP   2           HB1      ASP   2   9.702  -3.296  -0.969
   16    H    HIS   3           HN       HIS   3   9.234  -0.257  -3.019
   17    HA   HIS   3           HA       HIS   3   8.703   1.583  -0.882
   18    HB2  HIS   3           HB2      HIS   3   8.591   2.153  -3.333
   19    HB3  HIS   3           HB1      HIS   3   7.121   1.185  -3.430
   20    HD2  HIS   3           HD2      HIS   3   4.910   2.787  -3.071
   21    HE1  HIS   3           HE1      HIS   3   6.654   5.681  -0.538
   22    HE2  HIS   3           HE2      HIS   3   4.519   4.993  -1.728
   23    H    VAL   4           HN       VAL   4   8.126  -0.306   0.627
   24    HA   VAL   4           HA       VAL   4   5.326  -1.170   0.311
   25    HB   VAL   4           HB       VAL   4   5.937  -2.748   2.136
   26   HG11  VAL   4          HG11      VAL   4   6.005  -3.612  -0.081
   27   HG12  VAL   4          HG12      VAL   4   7.527  -4.101   0.659
   28   HG13  VAL   4          HG13      VAL   4   7.488  -2.733  -0.452
   29   HG21  VAL   4          HG21      VAL   4   7.838  -1.308   3.015
   30   HG22  VAL   4          HG22      VAL   4   8.774  -1.824   1.609
   31   HG23  VAL   4          HG23      VAL   4   8.240  -3.013   2.796
   32    H    TYR   5           HN       TYR   5   7.309   1.044   1.988
   33    HA   TYR   5           HA       TYR   5   6.120   1.167   4.516
   34    HB2  TYR   5           HB2      TYR   5   7.045   3.600   3.000
   35    HB3  TYR   5           HB1      TYR   5   7.133   3.280   4.732
   36    HD1  TYR   5           HD1      TYR   5   8.511   2.312   1.419
   37    HD2  TYR   5           HD2      TYR   5   8.924   2.057   5.672
   38    HE1  TYR   5           HE1      TYR   5  10.771   1.337   1.140
   39    HE2  TYR   5           HE2      TYR   5  11.181   1.078   5.409
   40    HH   TYR   5           HH       TYR   5  12.746   0.422   3.969
   41    H    LYS   6           HN       LYS   6   5.243   2.848   1.498
   42    HA   LYS   6           HA       LYS   6   3.138   4.392   2.537
   43    HB2  LYS   6           HB2      LYS   6   4.138   4.701   0.285
   44    HB3  LYS   6           HB1      LYS   6   3.358   3.209  -0.241
   45    HG2  LYS   6           HG2      LYS   6   1.150   4.169   0.265
   46    HG3  LYS   6           HG1      LYS   6   1.915   5.651   0.836
   47    HD2  LYS   6           HD2      LYS   6   2.888   6.008  -1.410
   48    HD3  LYS   6           HD1      LYS   6   2.101   4.537  -1.979
   49    HE2  LYS   6           HE2      LYS   6  -0.104   5.496  -1.459
   50    HE3  LYS   6           HE1      LYS   6   0.668   6.963  -0.858
   51    HZ1  LYS   6           HZ1      LYS   6   0.334   7.628  -2.968
   52    HZ2  LYS   6           HZ2      LYS   6   0.289   6.048  -3.590
   53    HZ3  LYS   6           HZ3      LYS   6   1.780   6.791  -3.255
   54    H    GLY   7           HN       GLY   7   3.196   1.108   1.210
   55    HA2  GLY   7           HA2      GLY   7   0.401   0.649   1.309
   56    HA3  GLY   7           HA1      GLY   7   1.647  -0.594   1.253
   57    H    GLN   8           HN       GLN   8   2.976   0.350   3.688
   58    HA   GLN   8           HA       GLN   8   1.402  -1.117   5.596
   59    HB2  GLN   8           HB2      GLN   8   4.026   0.368   5.803
   60    HB3  GLN   8           HB1      GLN   8   3.303  -0.527   7.142
   61    HG2  GLN   8           HG2      GLN   8   3.827  -1.780   4.442
   62    HG3  GLN   8           HG1      GLN   8   5.007  -1.817   5.749
   63   HE21  GLN   8          HE21      GLN   8   4.642  -3.282   7.491
   64   HE22  GLN   8          HE22      GLN   8   3.324  -4.351   7.539
   65    H    LEU   9           HN       LEU   9   2.481   2.245   5.301
   66    HA   LEU   9           HA       LEU   9   1.255   3.181   7.655
   67    HB2  LEU   9           HB2      LEU   9   2.982   4.478   6.493
   68    HB3  LEU   9           HB1      LEU   9   1.906   4.688   5.113
   69    HG   LEU   9           HG       LEU   9   0.308   5.928   6.529
   70   HD11  LEU   9          HD11      LEU   9   0.500   5.108   8.709
   71   HD12  LEU   9          HD12      LEU   9   1.332   6.654   8.846
   72   HD13  LEU   9          HD13      LEU   9   2.264   5.165   8.688
   73   HD21  LEU   9          HD21      LEU   9   1.891   7.309   5.410
   74   HD22  LEU   9          HD22      LEU   9   3.186   6.862   6.522
   75   HD23  LEU   9          HD23      LEU   9   1.864   7.892   7.074
   76    H    GLN  10           HN       GLN  10   0.114   2.996   4.342
   77    HA   GLN  10           HA       GLN  10  -2.281   4.354   4.817
   78    HB2  GLN  10           HB2      GLN  10  -1.402   3.889   2.557
   79    HB3  GLN  10           HB1      GLN  10  -1.724   2.173   2.795
   80    HG2  GLN  10           HG2      GLN  10  -4.116   2.606   2.999
   81    HG3  GLN  10           HG1      GLN  10  -3.839   4.344   2.890
   82   HE21  GLN  10          HE21      GLN  10  -2.300   4.811   0.770
   83   HE22  GLN  10          HE22      GLN  10  -2.890   4.087  -0.649
   84    H    ALA  11           HN       ALA  11  -1.447   0.935   5.054
   85    HA   ALA  11           HA       ALA  11  -4.071   0.007   5.610
   86    HB1  ALA  11           HB1      ALA  11  -1.379  -1.195   6.289
   87    HB2  ALA  11           HB2      ALA  11  -2.326  -1.513   4.837
   88    HB3  ALA  11           HB3      ALA  11  -2.922  -2.038   6.411
   89    H    TYR  12           HN       TYR  12  -1.405   1.145   7.625
   90    HA   TYR  12           HA       TYR  12  -2.425   0.377  10.134
   91    HB2  TYR  12           HB2      TYR  12  -0.124   1.131   9.867
   92    HB3  TYR  12           HB1      TYR  12  -0.679   2.734   9.384
   93    HD1  TYR  12           HD1      TYR  12  -0.301   0.380  12.186
   94    HD2  TYR  12           HD2      TYR  12  -1.653   4.283  11.011
   95    HE1  TYR  12           HE1      TYR  12  -0.418   1.058  14.569
   96    HE2  TYR  12           HE2      TYR  12  -1.767   4.962  13.394
   97    HH   TYR  12           HH       TYR  12  -0.327   3.204  15.874
   98    H    ALA  13           HN       ALA  13  -2.705   3.493   8.409
   99    HA   ALA  13           HA       ALA  13  -4.279   4.826  10.284
  100    HB1  ALA  13           HB1      ALA  13  -3.179   5.571   7.961
  101    HB2  ALA  13           HB2      ALA  13  -4.531   6.459   8.663
  102    HB3  ALA  13           HB3      ALA  13  -4.813   5.291   7.371
  103    H    LEU  14           HN       LEU  14  -5.264   2.843   7.501
  104    HA   LEU  14           HA       LEU  14  -8.038   3.165   7.833
  105    HB2  LEU  14           HB2      LEU  14  -6.980   2.234   5.791
  106    HB3  LEU  14           HB1      LEU  14  -6.551   0.786   6.698
  107    HG   LEU  14           HG       LEU  14  -9.000   0.441   7.187
  108   HD11  LEU  14          HD11      LEU  14  -9.192   2.885   5.446
  109   HD12  LEU  14          HD12      LEU  14 -10.061   2.506   6.932
  110   HD13  LEU  14          HD13      LEU  14 -10.494   1.696   5.428
  111   HD21  LEU  14          HD21      LEU  14  -8.089   0.520   4.300
  112   HD22  LEU  14          HD22      LEU  14  -9.548  -0.307   4.849
  113   HD23  LEU  14          HD23      LEU  14  -7.967  -0.836   5.423
  114    H    GLN  15           HN       GLN  15  -5.812   0.675   9.049
  115    HA   GLN  15           HA       GLN  15  -7.788  -0.895  10.319
  116    HB2  GLN  15           HB2      GLN  15  -5.447  -1.632   9.781
  117    HB3  GLN  15           HB1      GLN  15  -4.886  -0.638  11.125
  118    HG2  GLN  15           HG2      GLN  15  -5.158  -2.894  11.945
  119    HG3  GLN  15           HG1      GLN  15  -6.458  -1.918  12.627
  120   HE21  GLN  15          HE21      GLN  15  -8.154  -3.450  12.758
  121   HE22  GLN  15          HE22      GLN  15  -8.740  -4.321  11.423
  122    H    HIS  16           HN       HIS  16  -5.827   1.829  11.404
  123    HA   HIS  16           HA       HIS  16  -6.969   1.713  14.099
  124    HB2  HIS  16           HB2      HIS  16  -4.853   3.440  12.807
  125    HB3  HIS  16           HB1      HIS  16  -5.463   3.736  14.435
  126    HD2  HIS  16           HD2      HIS  16  -4.203   2.211  16.370
  127    HE1  HIS  16           HE1      HIS  16  -2.471  -0.672  13.818
  128    HE2  HIS  16           HE2      HIS  16  -2.634   0.129  16.222
  129    H    ASN  17           HN       ASN  17  -8.047   2.789  11.220
  130    HA   ASN  17           HA       ASN  17  -9.594   4.347  10.543
  131    HB2  ASN  17           HB2      ASN  17 -10.247   4.192  13.492
  132    HB3  ASN  17           HB1      ASN  17 -11.241   5.036  12.305
  133   HD21  ASN  17          HD21      ASN  17 -11.935   2.586  13.897
  134   HD22  ASN  17          HD22      ASN  17 -12.309   1.396  12.747
  135    H    LEU  18           HN       LEU  18  -7.443   5.638  10.334
  136    HA   LEU  18           HA       LEU  18  -7.747   8.184  11.832
  137    HB2  LEU  18           HB2      LEU  18  -5.161   6.870  10.969
  138    HB3  LEU  18           HB1      LEU  18  -5.304   8.426  11.782
  139    HG   LEU  18           HG       LEU  18  -6.306   5.805  12.935
  140   HD11  LEU  18          HD11      LEU  18  -3.846   5.822  12.713
  141   HD12  LEU  18          HD12      LEU  18  -4.335   5.905  14.404
  142   HD13  LEU  18          HD13      LEU  18  -3.780   7.358  13.574
  143   HD21  LEU  18          HD21      LEU  18  -6.134   7.297  15.080
  144   HD22  LEU  18          HD22      LEU  18  -7.514   7.524  14.013
  145   HD23  LEU  18          HD23      LEU  18  -6.154   8.648  13.946
  146    H    GLU  19           HN       GLU  19  -7.250  10.074  10.695
  147    HA   GLU  19           HA       GLU  19  -8.143  10.312   8.120
  148    HB2  GLU  19           HB2      GLU  19  -6.118  11.996   9.601
  149    HB3  GLU  19           HB1      GLU  19  -6.836  12.462   8.060
  150    HG2  GLU  19           HG2      GLU  19  -9.078  12.366   9.051
  151    HG3  GLU  19           HG1      GLU  19  -8.393  11.835  10.586
  152    H    LEU  20           HN       LEU  20  -7.291  10.164   6.123
  153    HA   LEU  20           HA       LEU  20  -5.255   8.388   5.608
  154    HB2  LEU  20           HB2      LEU  20  -5.226   9.337   3.317
  155    HB3  LEU  20           HB1      LEU  20  -6.847   8.994   3.906
  156    HG   LEU  20           HG       LEU  20  -6.483  11.622   4.750
  157   HD11  LEU  20          HD11      LEU  20  -4.367  11.809   3.492
  158   HD12  LEU  20          HD12      LEU  20  -5.602  12.875   2.822
  159   HD13  LEU  20          HD13      LEU  20  -5.205  11.359   2.007
  160   HD21  LEU  20          HD21      LEU  20  -8.002  12.222   2.905
  161   HD22  LEU  20          HD22      LEU  20  -8.481  10.691   3.633
  162   HD23  LEU  20          HD23      LEU  20  -7.629  10.702   2.092
  163    HA   PRO  21           HA       PRO  21  -1.539  10.731   6.370
  164    HB2  PRO  21           HB2      PRO  21   0.246   9.331   4.848
  165    HB3  PRO  21           HB1      PRO  21  -0.448   8.669   6.336
  166    HG2  PRO  21           HG2      PRO  21  -1.237   8.157   3.502
  167    HG3  PRO  21           HG1      PRO  21  -1.048   7.008   4.842
  168    HD2  PRO  21           HD2      PRO  21  -3.495   7.950   4.059
  169    HD3  PRO  21           HD1      PRO  21  -3.134   7.505   5.744
  170    H    VAL  22           HN       VAL  22  -0.147  12.254   5.419
  171    HA   VAL  22           HA       VAL  22  -0.609  12.882   2.560
  172    HB   VAL  22           HB       VAL  22  -0.593  14.809   4.902
  173   HG11  VAL  22          HG11      VAL  22   0.656  15.905   3.197
  174   HG12  VAL  22          HG12      VAL  22  -0.988  16.517   3.026
  175   HG13  VAL  22          HG13      VAL  22  -0.391  15.279   1.922
  176   HG21  VAL  22          HG21      VAL  22  -2.733  13.605   4.362
  177   HG22  VAL  22          HG22      VAL  22  -2.669  14.308   2.745
  178   HG23  VAL  22          HG23      VAL  22  -2.840  15.353   4.157
  179    H    TYR  23           HN       TYR  23   1.168  13.191   1.437
  180    HA   TYR  23           HA       TYR  23   3.770  13.393   2.809
  181    HB2  TYR  23           HB2      TYR  23   3.047  12.357   0.091
  182    HB3  TYR  23           HB1      TYR  23   4.696  12.580   0.675
  183    HD1  TYR  23           HD1      TYR  23   1.459  10.981   1.690
  184    HD2  TYR  23           HD2      TYR  23   5.731  10.880   1.845
  185    HE1  TYR  23           HE1      TYR  23   1.363   8.802   2.867
  186    HE2  TYR  23           HE2      TYR  23   5.658   8.698   3.015
  187    HH   TYR  23           HH       TYR  23   4.277   6.916   3.497
  188    H    ALA  24           HN       ALA  24   5.344  14.811   2.022
  189    HA   ALA  24           HA       ALA  24   4.378  16.986   0.255
  190    HB1  ALA  24           HB1      ALA  24   4.497  17.549   2.807
  191    HB2  ALA  24           HB2      ALA  24   5.268  18.656   1.673
  192    HB3  ALA  24           HB3      ALA  24   6.244  17.504   2.577
  193    H    ASN  25           HN       ASN  25   5.525  16.752  -1.507
  194    HA   ASN  25           HA       ASN  25   8.365  15.910  -1.336
  195    HB2  ASN  25           HB2      ASN  25   8.112  15.383  -3.745
  196    HB3  ASN  25           HB1      ASN  25   7.024  14.451  -2.717
  197   HD21  ASN  25          HD21      ASN  25   5.770  14.305  -4.891
  198   HD22  ASN  25          HD22      ASN  25   4.685  15.563  -5.241
  199    H    GLU  26           HN       GLU  26   9.969  17.043  -2.292
  200    HA   GLU  26           HA       GLU  26   9.343  19.507  -3.771
  201    HB2  GLU  26           HB2      GLU  26  10.436  20.990  -2.323
  202    HB3  GLU  26           HB1      GLU  26   9.574  19.939  -1.205
  203    HG2  GLU  26           HG2      GLU  26  11.696  19.910  -0.241
  204    HG3  GLU  26           HG1      GLU  26  11.806  18.519  -1.310
  205    H    ARG  27           HN       ARG  27  11.046  20.218  -5.112
  206    HA   ARG  27           HA       ARG  27  13.416  18.438  -5.257
  207    HB2  ARG  27           HB2      ARG  27  11.745  17.863  -7.012
  208    HB3  ARG  27           HB1      ARG  27  11.842  19.519  -7.611
  209    HG2  ARG  27           HG2      ARG  27  14.291  19.206  -7.982
  210    HG3  ARG  27           HG1      ARG  27  14.129  17.531  -7.457
  211    HD2  ARG  27           HD2      ARG  27  14.064  17.600  -9.879
  212    HD3  ARG  27           HD1      ARG  27  12.461  17.175  -9.283
  213    HE   ARG  27           HE       ARG  27  12.631  19.985  -9.593
  214   HH11  ARG  27          HH21      ARG  27  12.536  17.037 -11.397
  215   HH12  ARG  27          HH22      ARG  27  11.778  17.747 -12.782
  216   HH21  ARG  27          HH11      ARG  27  11.635  20.926 -11.404
  217   HH22  ARG  27          HH12      ARG  27  11.267  19.949 -12.786
  218    H    GLU  28           HN       GLU  28  15.269  19.559  -5.144
  219    HA   GLU  28           HA       GLU  28  15.530  22.079  -6.527
  220    HB2  GLU  28           HB2      GLU  28  14.477  22.795  -4.392
  221    HB3  GLU  28           HB1      GLU  28  15.792  22.023  -3.505
  222    HG2  GLU  28           HG2      GLU  28  17.424  23.501  -4.615
  223    HG3  GLU  28           HG1      GLU  28  16.124  24.261  -5.530
  224    H    GLY  29           HN       GLY  29  17.580  22.223  -7.240
  225    HA2  GLY  29           HA2      GLY  29  19.928  21.974  -6.063
  226    HA3  GLY  29           HA1      GLY  29  19.525  20.276  -6.227
  227    HA   PRO  30           HA       PRO  30  21.313  22.584 -10.222
  228    HB2  PRO  30           HB2      PRO  30  23.645  20.850  -9.474
  229    HB3  PRO  30           HB1      PRO  30  23.633  22.444 -10.252
  230    HG2  PRO  30           HG2      PRO  30  24.209  22.089  -7.633
  231    HG3  PRO  30           HG1      PRO  30  23.457  23.562  -8.270
  232    HD2  PRO  30           HD2      PRO  30  22.249  21.460  -6.574
  233    HD3  PRO  30           HD1      PRO  30  21.684  23.113  -6.901
  234    HA   PRO  31           HA       PRO  31  20.248  19.080 -12.746
  235    HB2  PRO  31           HB2      PRO  31  22.837  19.315 -14.225
  236    HB3  PRO  31           HB1      PRO  31  21.177  19.351 -14.848
  237    HG2  PRO  31           HG2      PRO  31  22.647  21.569 -14.676
  238    HG3  PRO  31           HG1      PRO  31  20.903  21.587 -14.356
  239    HD2  PRO  31           HD2      PRO  31  23.179  21.701 -12.409
  240    HD3  PRO  31           HD1      PRO  31  21.591  22.495 -12.348
  241    H    HIS  32           HN       HIS  32  23.781  18.981 -12.168
  242    HA   HIS  32           HA       HIS  32  23.757  16.077 -11.982
  243    HB2  HIS  32           HB2      HIS  32  25.958  18.136 -11.771
  244    HB3  HIS  32           HB1      HIS  32  26.223  16.403 -11.577
  245    HD2  HIS  32           HD2      HIS  32  26.111  14.906 -13.975
  246    HE1  HIS  32           HE1      HIS  32  25.441  18.187 -16.545
  247    HE2  HIS  32           HE2      HIS  32  25.976  15.707 -16.457
  248    H    ALA  33           HN       ALA  33  22.794  18.338  -9.940
  249    HA   ALA  33           HA       ALA  33  23.552  16.731  -7.578
  250    HB1  ALA  33           HB1      ALA  33  24.998  18.853  -7.864
  251    HB2  ALA  33           HB2      ALA  33  24.241  18.576  -6.296
  252    HB3  ALA  33           HB3      ALA  33  23.542  19.737  -7.421
  253    HA   PRO  34           HA       PRO  34  19.059  18.017  -7.681
  254    HB2  PRO  34           HB2      PRO  34  17.921  15.598  -8.210
  255    HB3  PRO  34           HB1      PRO  34  18.469  16.695  -9.491
  256    HG2  PRO  34           HG2      PRO  34  19.771  14.238  -8.418
  257    HG3  PRO  34           HG1      PRO  34  19.717  14.855 -10.079
  258    HD2  PRO  34           HD2      PRO  34  21.897  15.155  -8.356
  259    HD3  PRO  34           HD1      PRO  34  21.580  16.176  -9.776
  260    H    ARG  35           HN       ARG  35  17.844  17.935  -5.822
  261    HA   ARG  35           HA       ARG  35  18.420  15.768  -3.879
  262    HB2  ARG  35           HB2      ARG  35  18.021  18.688  -3.208
  263    HB3  ARG  35           HB1      ARG  35  18.344  17.390  -2.068
  264    HG2  ARG  35           HG2      ARG  35  20.240  18.060  -4.330
  265    HG3  ARG  35           HG1      ARG  35  20.363  18.820  -2.745
  266    HD2  ARG  35           HD2      ARG  35  20.472  16.492  -1.750
  267    HD3  ARG  35           HD1      ARG  35  20.598  15.873  -3.391
  268    HE   ARG  35           HE       ARG  35  22.551  17.905  -2.655
  269   HH11  ARG  35          HH21      ARG  35  21.722  14.557  -2.976
  270   HH12  ARG  35          HH22      ARG  35  23.366  14.017  -3.045
  271   HH21  ARG  35          HH11      ARG  35  24.704  17.200  -2.734
  272   HH22  ARG  35          HH12      ARG  35  25.054  15.513  -2.904
  273    H    PHE  36           HN       PHE  36  16.649  14.749  -3.130
  274    HA   PHE  36           HA       PHE  36  14.039  16.089  -3.648
  275    HB2  PHE  36           HB2      PHE  36  14.699  13.149  -3.428
  276    HB3  PHE  36           HB1      PHE  36  13.112  13.842  -3.774
  277    HD1  PHE  36           HD2      PHE  36  12.739  15.132  -5.804
  278    HD2  PHE  36           HD1      PHE  36  16.387  13.017  -5.116
  279    HE1  PHE  36           HE2      PHE  36  13.243  15.241  -8.229
  280    HE2  PHE  36           HE1      PHE  36  16.939  13.165  -7.507
  281    HZ   PHE  36           HZ       PHE  36  15.364  14.256  -9.096
  282    H    ARG  37           HN       ARG  37  13.629  17.056  -1.685
  283    HA   ARG  37           HA       ARG  37  13.867  15.389   0.743
  284    HB2  ARG  37           HB2      ARG  37  13.362  18.361   0.367
  285    HB3  ARG  37           HB1      ARG  37  13.413  17.554   1.932
  286    HG2  ARG  37           HG2      ARG  37  15.721  16.882   1.549
  287    HG3  ARG  37           HG1      ARG  37  15.681  17.555  -0.079
  288    HD2  ARG  37           HD2      ARG  37  16.773  19.153   1.399
  289    HD3  ARG  37           HD1      ARG  37  15.214  19.805   0.908
  290    HE   ARG  37           HE       ARG  37  14.948  18.368   3.348
  291   HH11  ARG  37          HH21      ARG  37  16.214  21.282   1.974
  292   HH12  ARG  37          HH22      ARG  37  16.050  22.203   3.432
  293   HH21  ARG  37          HH11      ARG  37  14.734  19.570   5.264
  294   HH22  ARG  37          HH12      ARG  37  15.213  21.234   5.294
  295    H    CYS  38           HN       CYS  38  12.140  14.136   1.005
  296    HA   CYS  38           HA       CYS  38   9.466  15.346   0.645
  297    HB2  CYS  38           HB2      CYS  38  10.104  13.383  -0.827
  298    HB3  CYS  38           HB1      CYS  38  10.029  12.397   0.641
  299    HG   CYS  38           HG       CYS  38   7.616  13.661  -0.805
  300    H    ASN  39           HN       ASN  39   8.213  15.560   2.314
  301    HA   ASN  39           HA       ASN  39   8.975  14.213   4.855
  302    HB2  ASN  39           HB2      ASN  39   7.521  16.817   4.367
  303    HB3  ASN  39           HB1      ASN  39   7.620  16.037   5.943
  304   HD21  ASN  39          HD21      ASN  39   8.801  18.606   5.455
  305   HD22  ASN  39          HD22      ASN  39  10.486  18.437   5.570
  306    H    VAL  40           HN       VAL  40   7.251  13.513   6.267
  307    HA   VAL  40           HA       VAL  40   4.738  12.844   4.834
  308    HB   VAL  40           HB       VAL  40   6.080  10.835   4.990
  309   HG11  VAL  40          HG11      VAL  40   7.409  11.800   7.011
  310   HG12  VAL  40          HG12      VAL  40   7.103  10.070   6.965
  311   HG13  VAL  40          HG13      VAL  40   6.122  11.106   7.995
  312   HG21  VAL  40          HG21      VAL  40   4.510   9.426   6.105
  313   HG22  VAL  40          HG22      VAL  40   3.577  10.808   5.533
  314   HG23  VAL  40          HG23      VAL  40   4.048  10.703   7.230
  315    H    THR  41           HN       THR  41   3.037  13.697   5.777
  316    HA   THR  41           HA       THR  41   3.192  14.547   8.597
  317    HB   THR  41           HB       THR  41   1.176  15.205   6.439
  318    HG1  THR  41           HG1      THR  41   3.036  16.263   6.010
  319   HG21  THR  41          HG21      THR  41   0.007  15.408   8.476
  320   HG22  THR  41          HG22      THR  41   0.621  17.035   8.190
  321   HG23  THR  41          HG23      THR  41   1.433  15.980   9.343
  322    H    PHE  42           HN       PHE  42   2.254  13.374  10.140
  323    HA   PHE  42           HA       PHE  42  -0.200  11.878   9.532
  324    HB2  PHE  42           HB2      PHE  42   2.040  10.464   9.284
  325    HB3  PHE  42           HB1      PHE  42   1.969  10.420  11.043
  326    HD1  PHE  42           HD1      PHE  42  -0.329  10.083   8.143
  327    HD2  PHE  42           HD2      PHE  42   0.810   8.579  11.983
  328    HE1  PHE  42           HE1      PHE  42  -2.074   8.345   7.960
  329    HE2  PHE  42           HE2      PHE  42  -0.935   6.805  11.798
  330    HZ   PHE  42           HZ       PHE  42  -2.377   6.703   9.794
  331    H    CYS  43           HN       CYS  43  -1.619  11.970  11.199
  332    HA   CYS  43           HA       CYS  43  -2.513  12.699  13.194
  333    HB2  CYS  43           HB2      CYS  43  -1.494  10.561  13.872
  334    HB3  CYS  43           HB1      CYS  43   0.016  11.400  14.233
  335    HG   CYS  43           HG       CYS  43  -1.031  11.631  16.488
  336    H    GLY  44           HN       GLY  44  -1.234  14.748  11.892
  337    HA2  GLY  44           HA2      GLY  44  -0.439  16.880  12.251
  338    HA3  GLY  44           HA1      GLY  44  -0.839  16.626  13.946
  339    H    GLN  45           HN       GLN  45   1.426  14.615  12.181
  340    HA   GLN  45           HA       GLN  45   3.708  15.924  13.513
  341    HB2  GLN  45           HB2      GLN  45   2.915  13.970  14.868
  342    HB3  GLN  45           HB1      GLN  45   3.274  12.940  13.487
  343    HG2  GLN  45           HG2      GLN  45   5.188  12.916  15.012
  344    HG3  GLN  45           HG1      GLN  45   5.640  13.781  13.541
  345   HE21  GLN  45          HE21      GLN  45   3.798  14.829  16.459
  346   HE22  GLN  45          HE22      GLN  45   4.800  16.159  16.788
  347    H    THR  46           HN       THR  46   5.238  16.378  12.101
  348    HA   THR  46           HA       THR  46   5.281  14.926   9.533
  349    HB   THR  46           HB       THR  46   5.042  17.186   9.037
  350    HG1  THR  46           HG1      THR  46   7.376  16.048   8.634
  351   HG21  THR  46          HG21      THR  46   6.353  18.954  10.230
  352   HG22  THR  46          HG22      THR  46   6.979  17.707  11.309
  353   HG23  THR  46          HG23      THR  46   5.252  18.066  11.286
  354    H    PHE  47           HN       PHE  47   6.663  13.285   9.558
  355    HA   PHE  47           HA       PHE  47   9.167  13.466  11.066
  356    HB2  PHE  47           HB2      PHE  47   7.815  11.215   9.581
  357    HB3  PHE  47           HB1      PHE  47   9.433  11.078  10.261
  358    HD1  PHE  47           HD1      PHE  47   5.914  11.859  11.097
  359    HD2  PHE  47           HD2      PHE  47   9.754  10.683  12.591
  360    HE1  PHE  47           HE1      PHE  47   4.904  11.391  13.307
  361    HE2  PHE  47           HE2      PHE  47   8.752  10.218  14.814
  362    HZ   PHE  47           HZ       PHE  47   6.321  10.568  15.172
  363    H    GLN  48           HN       GLN  48  11.176  13.510  10.152
  364    HA   GLN  48           HA       GLN  48  11.486  13.327   7.249
  365    HB2  GLN  48           HB2      GLN  48  12.731  15.531   7.231
  366    HB3  GLN  48           HB1      GLN  48  10.985  15.667   7.434
  367    HG2  GLN  48           HG2      GLN  48  12.874  15.569   9.792
  368    HG3  GLN  48           HG1      GLN  48  12.427  17.084   9.010
  369   HE21  GLN  48          HE21      GLN  48  11.661  15.509  11.702
  370   HE22  GLN  48          HE22      GLN  48   9.990  15.786  11.789
  371    H    SER  49           HN       SER  49  13.702  13.160   6.598
  372    HA   SER  49           HA       SER  49  15.408  12.028   8.712
  373    HB2  SER  49           HB2      SER  49  15.219  10.540   6.891
  374    HB3  SER  49           HB1      SER  49  15.387  11.832   5.704
  375    HG   SER  49           HG       SER  49  17.312  10.521   7.241
  376    H    SER  50           HN       SER  50  17.815  12.426   8.362
  377    HA   SER  50           HA       SER  50  18.240  15.332   8.108
  378    HB2  SER  50           HB2      SER  50  20.318  14.925   9.339
  379    HB3  SER  50           HB1      SER  50  18.938  14.267  10.215
  380    HG   SER  50           HG       SER  50  21.100  13.007   9.136
  381    H    GLU  51           HN       GLU  51  18.431  12.677   6.186
  382    HA   GLU  51           HA       GLU  51  20.652  13.821   4.592
  383    HB2  GLU  51           HB2      GLU  51  21.343  11.707   5.702
  384    HB3  GLU  51           HB1      GLU  51  20.012  10.878   4.898
  385    HG2  GLU  51           HG2      GLU  51  20.936  11.462   2.704
  386    HG3  GLU  51           HG1      GLU  51  22.235  12.371   3.474
  387    H    PHE  52           HN       PHE  52  20.165  14.289   2.603
  388    HA   PHE  52           HA       PHE  52  17.496  13.821   1.601
  389    HB2  PHE  52           HB2      PHE  52  19.394  14.893  -0.376
  390    HB3  PHE  52           HB1      PHE  52  17.908  15.609   0.252
  391    HD1  PHE  52           HD1      PHE  52  21.447  14.987   0.942
  392    HD2  PHE  52           HD2      PHE  52  17.977  17.235   1.961
  393    HE1  PHE  52           HE1      PHE  52  22.858  16.490   2.350
  394    HE2  PHE  52           HE2      PHE  52  19.343  18.757   3.375
  395    HZ   PHE  52           HZ       PHE  52  21.796  18.385   3.571
  396    H    PHE  53           HN       PHE  53  16.929  12.697  -0.180
  397    HA   PHE  53           HA       PHE  53  18.719  10.457  -0.848
  398    HB2  PHE  53           HB2      PHE  53  15.902  10.433  -1.833
  399    HB3  PHE  53           HB1      PHE  53  16.880   9.123  -1.168
  400    HD1  PHE  53           HD1      PHE  53  15.007  12.186  -0.299
  401    HD2  PHE  53           HD2      PHE  53  16.840   8.613   1.138
  402    HE1  PHE  53           HE1      PHE  53  13.956  12.562   1.904
  403    HE2  PHE  53           HE2      PHE  53  15.820   8.999   3.340
  404    HZ   PHE  53           HZ       PHE  53  14.363  10.951   3.737
  405    HA   PRO  54           HA       PRO  54  19.385  12.067  -4.950
  406    HB2  PRO  54           HB2      PRO  54  20.145   9.794  -6.270
  407    HB3  PRO  54           HB1      PRO  54  21.178  10.613  -5.082
  408    HG2  PRO  54           HG2      PRO  54  19.509   8.166  -4.770
  409    HG3  PRO  54           HG1      PRO  54  21.103   8.542  -4.092
  410    HD2  PRO  54           HD2      PRO  54  18.731   8.737  -2.660
  411    HD3  PRO  54           HD1      PRO  54  20.215   9.637  -2.274
  412    H    THR  55           HN       THR  55  16.840   9.954  -4.234
  413    HA   THR  55           HA       THR  55  15.600  10.444  -6.879
  414    HB   THR  55           HB       THR  55  14.496   8.085  -6.366
  415    HG1  THR  55           HG1      THR  55  16.485   6.896  -5.455
  416   HG21  THR  55          HG21      THR  55  16.385   6.984  -7.593
  417   HG22  THR  55          HG22      THR  55  17.322   8.466  -7.398
  418   HG23  THR  55          HG23      THR  55  15.835   8.479  -8.350
  419    H    LEU  56           HN       LEU  56  13.343  10.508  -6.894
  420    HA   LEU  56           HA       LEU  56  12.232  11.885  -4.683
  421    HB2  LEU  56           HB2      LEU  56  11.589  11.678  -7.331
  422    HB3  LEU  56           HB1      LEU  56  10.297  10.733  -6.595
  423    HG   LEU  56           HG       LEU  56  11.090  13.550  -5.803
  424   HD11  LEU  56          HD11      LEU  56   8.833  12.413  -7.429
  425   HD12  LEU  56          HD12      LEU  56  10.015  13.632  -7.898
  426   HD13  LEU  56          HD13      LEU  56   8.773  14.019  -6.709
  427   HD21  LEU  56          HD21      LEU  56   9.058  11.575  -4.743
  428   HD22  LEU  56          HD22      LEU  56   8.790  13.308  -4.578
  429   HD23  LEU  56          HD23      LEU  56  10.201  12.564  -3.836
  430    H    LYS  57           HN       LYS  57  11.052   8.771  -6.096
  431    HA   LYS  57           HA       LYS  57   9.339   8.100  -4.062
  432    HB2  LYS  57           HB2      LYS  57  11.036   6.357  -5.858
  433    HB3  LYS  57           HB1      LYS  57   9.750   5.729  -4.830
  434    HG2  LYS  57           HG2      LYS  57   8.121   7.197  -5.975
  435    HG3  LYS  57           HG1      LYS  57   9.411   7.817  -7.007
  436    HD2  LYS  57           HD2      LYS  57   9.810   5.549  -7.890
  437    HD3  LYS  57           HD1      LYS  57   8.534   4.914  -6.850
  438    HE2  LYS  57           HE2      LYS  57   6.893   6.383  -7.981
  439    HE3  LYS  57           HE1      LYS  57   8.170   6.984  -9.037
  440    HZ1  LYS  57           HZ1      LYS  57   8.177   5.109 -10.243
  441    HZ2  LYS  57           HZ2      LYS  57   6.609   4.903  -9.623
  442    HZ3  LYS  57           HZ3      LYS  57   7.923   4.101  -8.902
  443    H    SER  58           HN       SER  58  12.829   7.720  -4.228
  444    HA   SER  58           HA       SER  58  13.201   5.928  -2.114
  445    HB2  SER  58           HB2      SER  58  15.099   6.450  -3.413
  446    HB3  SER  58           HB1      SER  58  14.870   8.185  -3.195
  447    HG   SER  58           HG       SER  58  15.622   6.268  -1.240
  448    H    ALA  59           HN       ALA  59  12.646   9.410  -2.135
  449    HA   ALA  59           HA       ALA  59  13.166   9.839   0.629
  450    HB1  ALA  59           HB1      ALA  59  11.303  11.470  -1.073
  451    HB2  ALA  59           HB2      ALA  59  13.044  11.558  -1.262
  452    HB3  ALA  59           HB3      ALA  59  12.308  12.010   0.277
  453    H    GLU  60           HN       GLU  60  10.160   9.309  -1.206
  454    HA   GLU  60           HA       GLU  60   8.346   9.607   0.926
  455    HB2  GLU  60           HB2      GLU  60   8.193   7.910  -1.575
  456    HB3  GLU  60           HB1      GLU  60   6.838   8.182  -0.478
  457    HG2  GLU  60           HG2      GLU  60   6.986  10.595  -0.844
  458    HG3  GLU  60           HG1      GLU  60   8.389  10.369  -1.888
  459    H    HIS  61           HN       HIS  61  10.177   6.790  -0.219
  460    HA   HIS  61           HA       HIS  61   8.938   4.875   1.463
  461    HB2  HIS  61           HB2      HIS  61  10.255   3.487   0.233
  462    HB3  HIS  61           HB1      HIS  61  10.985   4.906  -0.514
  463    HD2  HIS  61           HD2      HIS  61  13.719   4.966  -0.060
  464    HE1  HIS  61           HE1      HIS  61  13.775   2.893   3.614
  465    HE2  HIS  61           HE2      HIS  61  15.215   4.050   1.875
  466    H    ALA  62           HN       ALA  62  12.002   6.649   1.822
  467    HA   ALA  62           HA       ALA  62  12.616   5.631   4.385
  468    HB1  ALA  62           HB1      ALA  62  13.536   8.221   3.120
  469    HB2  ALA  62           HB2      ALA  62  14.294   6.646   2.889
  470    HB3  ALA  62           HB3      ALA  62  14.294   7.397   4.484
  471    H    ALA  63           HN       ALA  63  10.816   8.447   3.312
  472    HA   ALA  63           HA       ALA  63  10.653   9.831   5.744
  473    HB1  ALA  63           HB1      ALA  63   9.911  10.932   3.763
  474    HB2  ALA  63           HB2      ALA  63   8.479  10.722   4.773
  475    HB3  ALA  63           HB3      ALA  63   8.756   9.650   3.401
  476    H    ALA  64           HN       ALA  64   8.452   7.397   4.361
  477    HA   ALA  64           HA       ALA  64   6.730   7.352   6.641
  478    HB1  ALA  64           HB1      ALA  64   5.992   5.116   5.583
  479    HB2  ALA  64           HB2      ALA  64   7.071   5.559   4.260
  480    HB3  ALA  64           HB3      ALA  64   5.714   6.600   4.675
  481    H    LYS  65           HN       LYS  65   9.638   5.574   5.739
  482    HA   LYS  65           HA       LYS  65   9.495   3.400   7.460
  483    HB2  LYS  65           HB2      LYS  65  11.258   3.790   5.752
  484    HB3  LYS  65           HB1      LYS  65  11.957   5.023   6.799
  485    HG2  LYS  65           HG2      LYS  65  12.282   3.345   8.574
  486    HG3  LYS  65           HG1      LYS  65  11.571   2.109   7.537
  487    HD2  LYS  65           HD2      LYS  65  13.365   2.465   5.882
  488    HD3  LYS  65           HD1      LYS  65  14.080   3.697   6.924
  489    HE2  LYS  65           HE2      LYS  65  15.249   1.592   7.287
  490    HE3  LYS  65           HE1      LYS  65  14.302   1.975   8.725
  491    HZ1  LYS  65           HZ1      LYS  65  13.049   0.365   6.625
  492    HZ2  LYS  65           HZ2      LYS  65  12.811   0.327   8.307
  493    HZ3  LYS  65           HZ3      LYS  65  14.196  -0.383   7.627
  494    H    ILE  66           HN       ILE  66  10.727   6.683   8.143
  495    HA   ILE  66           HA       ILE  66  11.344   6.068  10.870
  496    HB   ILE  66           HB       ILE  66  11.585   8.570  11.040
  497   HG12  ILE  66          HG12      ILE  66  11.054   8.453   8.065
  498   HG13  ILE  66          HG11      ILE  66   9.890   9.048   9.247
  499   HG21  ILE  66          HG21      ILE  66  13.023   7.316   8.691
  500   HG22  ILE  66          HG22      ILE  66  13.429   6.989  10.376
  501   HG23  ILE  66          HG23      ILE  66  13.612   8.617   9.726
  502   HD11  ILE  66          HD11      ILE  66  12.597  10.198   8.558
  503   HD12  ILE  66          HD12      ILE  66  11.722  10.662  10.016
  504   HD13  ILE  66          HD13      ILE  66  11.022  10.982   8.430
  505    H    ALA  67           HN       ALA  67   8.596   7.434   9.158
  506    HA   ALA  67           HA       ALA  67   7.210   8.402  11.452
  507    HB1  ALA  67           HB1      ALA  67   5.355   8.723   9.993
  508    HB2  ALA  67           HB2      ALA  67   5.958   7.521   8.854
  509    HB3  ALA  67           HB3      ALA  67   6.804   9.056   9.044
  510    H    VAL  68           HN       VAL  68   6.791   5.452   9.519
  511    HA   VAL  68           HA       VAL  68   4.716   4.334  11.071
  512    HB   VAL  68           HB       VAL  68   5.368   3.612   8.748
  513   HG11  VAL  68          HG11      VAL  68   7.491   1.957  10.120
  514   HG12  VAL  68          HG12      VAL  68   7.856   3.517   9.393
  515   HG13  VAL  68          HG13      VAL  68   7.244   2.206   8.392
  516   HG21  VAL  68          HG21      VAL  68   5.252   1.481  10.904
  517   HG22  VAL  68          HG22      VAL  68   4.932   1.205   9.190
  518   HG23  VAL  68          HG23      VAL  68   3.868   2.252  10.129
  519    H    ALA  69           HN       ALA  69   8.217   4.288  11.370
  520    HA   ALA  69           HA       ALA  69   8.350   2.195  13.299
  521    HB1  ALA  69           HB1      ALA  69  10.263   4.427  12.587
  522    HB2  ALA  69           HB2      ALA  69  10.333   2.745  12.061
  523    HB3  ALA  69           HB3      ALA  69  10.637   3.153  13.750
  524    H    SER  70           HN       SER  70   7.696   5.610  13.444
  525    HA   SER  70           HA       SER  70   8.221   5.983  16.223
  526    HB2  SER  70           HB2      SER  70   6.333   7.549  14.450
  527    HB3  SER  70           HB1      SER  70   7.037   8.083  15.974
  528    HG   SER  70           HG       SER  70   8.191   7.798  13.449
  529    H    LEU  71           HN       LEU  71   5.341   5.171  14.363
  530    HA   LEU  71           HA       LEU  71   3.512   5.229  16.544
  531    HB2  LEU  71           HB2      LEU  71   3.265   3.610  14.002
  532    HB3  LEU  71           HB1      LEU  71   1.958   4.132  15.066
  533    HG   LEU  71           HG       LEU  71   3.798   5.974  13.512
  534   HD11  LEU  71          HD11      LEU  71   0.874   5.272  13.116
  535   HD12  LEU  71          HD12      LEU  71   2.205   4.768  12.075
  536   HD13  LEU  71          HD13      LEU  71   1.774   6.472  12.190
  537   HD21  LEU  71          HD21      LEU  71   1.582   6.438  15.511
  538   HD22  LEU  71          HD22      LEU  71   1.904   7.632  14.254
  539   HD23  LEU  71          HD23      LEU  71   3.164   7.213  15.410
  540    H    THR  72           HN       THR  72   5.695   2.818  15.296
  541    HA   THR  72           HA       THR  72   5.604   1.264  17.657
  542    HB   THR  72           HB       THR  72   3.465   0.466  16.997
  543    HG1  THR  72           HG1      THR  72   4.937  -1.179  17.552
  544   HG21  THR  72          HG21      THR  72   3.348   1.264  14.737
  545   HG22  THR  72          HG22      THR  72   3.144  -0.488  14.669
  546   HG23  THR  72          HG23      THR  72   4.695   0.237  14.243
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  13.640  -0.581  -5.763
    2    H2   MET   1           HT2      MET   1  14.558  -1.970  -6.097
    3    H3   MET   1           HT3      MET   1  15.274  -0.643  -5.316
    4    HA   MET   1           HA       MET   1  14.246  -2.826  -4.086
    5    HB2  MET   1           HB2      MET   1  15.868  -1.168  -3.187
    6    HB3  MET   1           HB1      MET   1  14.545  -0.021  -2.969
    7    HG2  MET   1           HG2      MET   1  13.432  -1.555  -1.418
    8    HG3  MET   1           HG1      MET   1  14.690  -2.763  -1.680
    9    HE1  MET   1           HE1      MET   1  14.929   1.242   0.488
   10    HE2  MET   1           HE2      MET   1  13.611   0.099   0.736
   11    HE3  MET   1           HE3      MET   1  13.891   0.777  -0.866
   12    H    ASP   2           HN       ASP   2  12.302  -3.507  -3.413
   13    HA   ASP   2           HA       ASP   2   9.921  -2.121  -4.123
   14    HB2  ASP   2           HB2      ASP   2  10.430  -4.527  -2.368
   15    HB3  ASP   2           HB1      ASP   2   8.815  -3.924  -2.737
   16    H    HIS   3           HN       HIS   3   8.475  -0.977  -2.885
   17    HA   HIS   3           HA       HIS   3   9.449  -0.081  -0.228
   18    HB2  HIS   3           HB2      HIS   3   7.531   1.242  -2.162
   19    HB3  HIS   3           HB1      HIS   3   8.042   1.896  -0.606
   20    HD2  HIS   3           HD2      HIS   3   9.246   1.860  -4.249
   21    HE1  HIS   3           HE1      HIS   3  12.529   3.157  -1.934
   22    HE2  HIS   3           HE2      HIS   3  11.636   2.913  -4.298
   23    H    VAL   4           HN       VAL   4   8.401  -0.896   1.478
   24    HA   VAL   4           HA       VAL   4   5.621  -1.845   1.157
   25    HB   VAL   4           HB       VAL   4   6.181  -3.114   3.262
   26   HG11  VAL   4          HG11      VAL   4   7.838  -3.619   0.784
   27   HG12  VAL   4          HG12      VAL   4   6.205  -4.210   1.081
   28   HG13  VAL   4          HG13      VAL   4   7.551  -4.810   2.051
   29   HG21  VAL   4          HG21      VAL   4   9.010  -2.324   2.547
   30   HG22  VAL   4          HG22      VAL   4   8.513  -3.346   3.895
   31   HG23  VAL   4          HG23      VAL   4   8.106  -1.627   3.891
   32    H    TYR   5           HN       TYR   5   7.520   0.619   2.497
   33    HA   TYR   5           HA       TYR   5   6.278   1.106   4.960
   34    HB2  TYR   5           HB2      TYR   5   7.204   3.347   3.166
   35    HB3  TYR   5           HB1      TYR   5   7.342   3.185   4.918
   36    HD1  TYR   5           HD1      TYR   5   8.642   1.926   1.669
   37    HD2  TYR   5           HD2      TYR   5   9.159   2.042   5.920
   38    HE1  TYR   5           HE1      TYR   5  10.907   0.938   1.422
   39    HE2  TYR   5           HE2      TYR   5  11.414   1.060   5.690
   40    HH   TYR   5           HH       TYR   5  13.145   1.051   3.035
   41    H    LYS   6           HN       LYS   6   5.514   2.315   1.710
   42    HA   LYS   6           HA       LYS   6   3.372   3.984   2.438
   43    HB2  LYS   6           HB2      LYS   6   4.499   4.003   0.217
   44    HB3  LYS   6           HB1      LYS   6   3.731   2.457  -0.148
   45    HG2  LYS   6           HG2      LYS   6   1.516   3.458   0.067
   46    HG3  LYS   6           HG1      LYS   6   2.229   4.988   0.572
   47    HD2  LYS   6           HD2      LYS   6   1.740   5.263  -1.741
   48    HD3  LYS   6           HD1      LYS   6   3.479   4.992  -1.658
   49    HE2  LYS   6           HE2      LYS   6   3.265   2.732  -2.394
   50    HE3  LYS   6           HE1      LYS   6   1.521   2.733  -2.131
   51    HZ1  LYS   6           HZ1      LYS   6   1.793   3.025  -4.421
   52    HZ2  LYS   6           HZ2      LYS   6   3.060   4.140  -4.230
   53    HZ3  LYS   6           HZ3      LYS   6   1.467   4.584  -3.840
   54    H    GLY   7           HN       GLY   7   3.447   0.580   1.436
   55    HA2  GLY   7           HA2      GLY   7   0.649   0.157   1.508
   56    HA3  GLY   7           HA1      GLY   7   1.883  -1.097   1.597
   57    H    GLN   8           HN       GLN   8   3.170  -0.036   3.962
   58    HA   GLN   8           HA       GLN   8   1.540  -1.291   5.942
   59    HB2  GLN   8           HB2      GLN   8   4.045  -1.358   5.918
   60    HB3  GLN   8           HB1      GLN   8   4.040   0.351   6.355
   61    HG2  GLN   8           HG2      GLN   8   4.291  -0.952   8.383
   62    HG3  GLN   8           HG1      GLN   8   2.685  -0.228   8.389
   63   HE21  GLN   8          HE21      GLN   8   1.481  -1.830   9.501
   64   HE22  GLN   8          HE22      GLN   8   1.367  -3.443   8.986
   65    H    LEU   9           HN       LEU   9   2.540   2.049   5.330
   66    HA   LEU   9           HA       LEU   9   1.284   3.197   7.580
   67    HB2  LEU   9           HB2      LEU   9   3.002   4.361   6.198
   68    HB3  LEU   9           HB1      LEU   9   1.808   4.498   4.911
   69    HG   LEU   9           HG       LEU   9   0.318   5.769   6.471
   70   HD11  LEU   9          HD11      LEU   9   0.875   5.211   8.657
   71   HD12  LEU   9          HD12      LEU   9   1.736   6.737   8.500
   72   HD13  LEU   9          HD13      LEU   9   2.608   5.214   8.338
   73   HD21  LEU   9          HD21      LEU   9   1.868   7.816   6.577
   74   HD22  LEU   9          HD22      LEU   9   1.630   7.089   4.989
   75   HD23  LEU   9          HD23      LEU   9   3.112   6.770   5.891
   76    H    GLN  10           HN       GLN  10   0.146   2.597   4.314
   77    HA   GLN  10           HA       GLN  10  -2.289   3.934   4.658
   78    HB2  GLN  10           HB2      GLN  10  -1.405   3.315   2.449
   79    HB3  GLN  10           HB1      GLN  10  -1.636   1.610   2.836
   80    HG2  GLN  10           HG2      GLN  10  -4.034   1.906   2.985
   81    HG3  GLN  10           HG1      GLN  10  -3.871   3.655   2.818
   82   HE21  GLN  10          HE21      GLN  10  -2.345   4.136   0.682
   83   HE22  GLN  10          HE22      GLN  10  -2.887   3.330  -0.710
   84    H    ALA  11           HN       ALA  11  -1.326   0.585   5.221
   85    HA   ALA  11           HA       ALA  11  -3.921  -0.370   5.882
   86    HB1  ALA  11           HB1      ALA  11  -1.265  -1.467   6.819
   87    HB2  ALA  11           HB2      ALA  11  -1.965  -1.797   5.235
   88    HB3  ALA  11           HB3      ALA  11  -2.796  -2.335   6.694
   89    H    TYR  12           HN       TYR  12  -1.289   1.021   7.779
   90    HA   TYR  12           HA       TYR  12  -2.290   0.457  10.346
   91    HB2  TYR  12           HB2      TYR  12  -0.004   1.247   9.976
   92    HB3  TYR  12           HB1      TYR  12  -0.617   2.799   9.406
   93    HD1  TYR  12           HD1      TYR  12  -0.193   0.606  12.339
   94    HD2  TYR  12           HD2      TYR  12  -1.556   4.434  10.950
   95    HE1  TYR  12           HE1      TYR  12  -0.298   1.417  14.679
   96    HE2  TYR  12           HE2      TYR  12  -1.660   5.245  13.294
   97    HH   TYR  12           HH       TYR  12  -0.145   4.008  15.733
   98    H    ALA  13           HN       ALA  13  -2.648   3.396   8.350
   99    HA   ALA  13           HA       ALA  13  -4.235   4.866  10.103
  100    HB1  ALA  13           HB1      ALA  13  -3.188   5.489   7.778
  101    HB2  ALA  13           HB2      ALA  13  -4.677   6.281   8.296
  102    HB3  ALA  13           HB3      ALA  13  -4.740   4.953   7.136
  103    H    LEU  14           HN       LEU  14  -5.224   2.597   7.543
  104    HA   LEU  14           HA       LEU  14  -8.001   2.853   7.942
  105    HB2  LEU  14           HB2      LEU  14  -7.052   1.863   5.919
  106    HB3  LEU  14           HB1      LEU  14  -6.389   0.526   6.853
  107    HG   LEU  14           HG       LEU  14  -9.310   0.953   7.252
  108   HD11  LEU  14          HD11      LEU  14  -9.874  -0.173   5.085
  109   HD12  LEU  14          HD12      LEU  14  -8.213   0.091   4.558
  110   HD13  LEU  14          HD13      LEU  14  -9.265   1.470   4.886
  111   HD21  LEU  14          HD21      LEU  14  -7.816  -1.014   8.035
  112   HD22  LEU  14          HD22      LEU  14  -7.876  -1.557   6.358
  113   HD23  LEU  14          HD23      LEU  14  -9.364  -1.415   7.290
  114    H    GLN  15           HN       GLN  15  -5.621   0.600   9.309
  115    HA   GLN  15           HA       GLN  15  -7.469  -1.006  10.722
  116    HB2  GLN  15           HB2      GLN  15  -5.086  -1.611  10.253
  117    HB3  GLN  15           HB1      GLN  15  -4.591  -0.431  11.468
  118    HG2  GLN  15           HG2      GLN  15  -5.950  -1.636  13.163
  119    HG3  GLN  15           HG1      GLN  15  -6.375  -2.837  11.945
  120   HE21  GLN  15          HE21      GLN  15  -5.212  -4.668  12.640
  121   HE22  GLN  15          HE22      GLN  15  -3.536  -4.682  12.904
  122    H    HIS  16           HN       HIS  16  -5.671   1.911  11.615
  123    HA   HIS  16           HA       HIS  16  -6.861   1.947  14.284
  124    HB2  HIS  16           HB2      HIS  16  -4.838   3.701  12.883
  125    HB3  HIS  16           HB1      HIS  16  -5.490   4.082  14.475
  126    HD2  HIS  16           HD2      HIS  16  -3.192   1.323  12.818
  127    HE1  HIS  16           HE1      HIS  16  -2.942   0.933  17.011
  128    HE2  HIS  16           HE2      HIS  16  -2.007   0.110  14.799
  129    H    ASN  17           HN       ASN  17  -7.814   2.872  11.244
  130    HA   ASN  17           HA       ASN  17  -9.494   4.227  10.456
  131    HB2  ASN  17           HB2      ASN  17 -10.640   3.152  12.478
  132    HB3  ASN  17           HB1      ASN  17 -10.305   4.657  13.330
  133   HD21  ASN  17          HD21      ASN  17 -12.523   5.372  13.435
  134   HD22  ASN  17          HD22      ASN  17 -13.399   5.804  12.045
  135    H    LEU  18           HN       LEU  18  -7.412   5.595  10.158
  136    HA   LEU  18           HA       LEU  18  -7.867   8.241  11.425
  137    HB2  LEU  18           HB2      LEU  18  -5.202   6.964  10.746
  138    HB3  LEU  18           HB1      LEU  18  -5.429   8.589  11.387
  139    HG   LEU  18           HG       LEU  18  -6.355   6.065  12.791
  140   HD11  LEU  18          HD11      LEU  18  -4.417   6.360  14.255
  141   HD12  LEU  18          HD12      LEU  18  -3.913   7.781  13.338
  142   HD13  LEU  18          HD13      LEU  18  -3.881   6.187  12.584
  143   HD21  LEU  18          HD21      LEU  18  -6.350   9.007  13.477
  144   HD22  LEU  18          HD22      LEU  18  -6.260   7.804  14.761
  145   HD23  LEU  18          HD23      LEU  18  -7.641   7.823  13.672
  146    H    GLU  19           HN       GLU  19  -7.523  10.037  10.115
  147    HA   GLU  19           HA       GLU  19  -8.315   9.967   7.496
  148    HB2  GLU  19           HB2      GLU  19  -6.459  11.947   8.846
  149    HB3  GLU  19           HB1      GLU  19  -7.231  12.209   7.281
  150    HG2  GLU  19           HG2      GLU  19  -8.663  13.270   8.852
  151    HG3  GLU  19           HG1      GLU  19  -9.456  11.742   8.478
  152    H    LEU  20           HN       LEU  20  -7.264   9.986   5.517
  153    HA   LEU  20           HA       LEU  20  -5.169   8.223   5.191
  154    HB2  LEU  20           HB2      LEU  20  -5.800  10.443   3.255
  155    HB3  LEU  20           HB1      LEU  20  -5.166   8.839   2.891
  156    HG   LEU  20           HG       LEU  20  -7.939   9.519   3.920
  157   HD11  LEU  20          HD11      LEU  20  -8.698   8.662   1.812
  158   HD12  LEU  20          HD12      LEU  20  -7.101   8.024   1.423
  159   HD13  LEU  20          HD13      LEU  20  -7.373   9.767   1.447
  160   HD21  LEU  20          HD21      LEU  20  -8.238   6.967   3.616
  161   HD22  LEU  20          HD22      LEU  20  -7.385   7.512   5.057
  162   HD23  LEU  20          HD23      LEU  20  -6.478   6.883   3.681
  163    HA   PRO  21           HA       PRO  21  -1.596  10.690   6.182
  164    HB2  PRO  21           HB2      PRO  21   0.344   9.345   4.778
  165    HB3  PRO  21           HB1      PRO  21  -0.392   8.698   6.253
  166    HG2  PRO  21           HG2      PRO  21  -0.993   8.037   3.409
  167    HG3  PRO  21           HG1      PRO  21  -0.860   6.964   4.814
  168    HD2  PRO  21           HD2      PRO  21  -3.275   7.782   3.818
  169    HD3  PRO  21           HD1      PRO  21  -3.022   7.414   5.539
  170    H    VAL  22           HN       VAL  22  -0.202  12.263   5.303
  171    HA   VAL  22           HA       VAL  22  -0.556  12.869   2.414
  172    HB   VAL  22           HB       VAL  22  -0.666  14.787   4.758
  173   HG11  VAL  22          HG11      VAL  22  -1.011  16.497   2.864
  174   HG12  VAL  22          HG12      VAL  22  -0.321  15.278   1.794
  175   HG13  VAL  22          HG13      VAL  22   0.635  15.925   3.127
  176   HG21  VAL  22          HG21      VAL  22  -2.777  13.620   4.190
  177   HG22  VAL  22          HG22      VAL  22  -2.630  14.176   2.523
  178   HG23  VAL  22          HG23      VAL  22  -2.873  15.342   3.824
  179    H    TYR  23           HN       TYR  23   1.247  13.196   1.354
  180    HA   TYR  23           HA       TYR  23   3.798  13.436   2.808
  181    HB2  TYR  23           HB2      TYR  23   3.144  12.385   0.074
  182    HB3  TYR  23           HB1      TYR  23   4.778  12.640   0.683
  183    HD1  TYR  23           HD1      TYR  23   1.553  10.990   1.609
  184    HD2  TYR  23           HD2      TYR  23   5.820  10.944   1.890
  185    HE1  TYR  23           HE1      TYR  23   1.447   8.812   2.787
  186    HE2  TYR  23           HE2      TYR  23   5.735   8.762   3.065
  187    HH   TYR  23           HH       TYR  23   3.022   6.822   3.107
  188    H    ALA  24           HN       ALA  24   5.324  14.924   2.174
  189    HA   ALA  24           HA       ALA  24   4.435  17.046   0.293
  190    HB1  ALA  24           HB1      ALA  24   4.419  17.626   2.817
  191    HB2  ALA  24           HB2      ALA  24   5.243  18.727   1.711
  192    HB3  ALA  24           HB3      ALA  24   6.177  17.592   2.683
  193    H    ASN  25           HN       ASN  25   5.691  16.828  -1.442
  194    HA   ASN  25           HA       ASN  25   8.539  16.059  -1.088
  195    HB2  ASN  25           HB2      ASN  25   6.678  15.817  -3.465
  196    HB3  ASN  25           HB1      ASN  25   8.401  15.448  -3.510
  197   HD21  ASN  25          HD21      ASN  25   5.282  14.367  -2.242
  198   HD22  ASN  25          HD22      ASN  25   5.823  12.842  -1.729
  199    H    GLU  26           HN       GLU  26  10.162  17.268  -2.000
  200    HA   GLU  26           HA       GLU  26   9.483  19.590  -3.645
  201    HB2  GLU  26           HB2      GLU  26  10.941  21.048  -2.129
  202    HB3  GLU  26           HB1      GLU  26   9.314  20.679  -1.554
  203    HG2  GLU  26           HG2      GLU  26  10.174  18.877  -0.158
  204    HG3  GLU  26           HG1      GLU  26  11.806  19.143  -0.776
  205    H    ARG  27           HN       ARG  27  11.305  20.404  -4.809
  206    HA   ARG  27           HA       ARG  27  13.613  18.547  -4.860
  207    HB2  ARG  27           HB2      ARG  27  12.199  18.557  -6.914
  208    HB3  ARG  27           HB1      ARG  27  12.531  20.282  -7.093
  209    HG2  ARG  27           HG2      ARG  27  14.929  19.840  -7.265
  210    HG3  ARG  27           HG1      ARG  27  14.651  18.119  -6.992
  211    HD2  ARG  27           HD2      ARG  27  14.907  18.488  -9.376
  212    HD3  ARG  27           HD1      ARG  27  13.225  18.080  -9.048
  213    HE   ARG  27           HE       ARG  27  13.595  20.905  -8.997
  214   HH11  ARG  27          HH21      ARG  27  13.410  18.153 -11.084
  215   HH12  ARG  27          HH22      ARG  27  12.830  19.050 -12.446
  216   HH21  ARG  27          HH11      ARG  27  12.839  22.092 -10.781
  217   HH22  ARG  27          HH12      ARG  27  12.507  21.282 -12.275
  218    H    GLU  28           HN       GLU  28  15.610  19.412  -4.585
  219    HA   GLU  28           HA       GLU  28  16.143  22.161  -5.105
  220    HB2  GLU  28           HB2      GLU  28  16.856  22.537  -2.599
  221    HB3  GLU  28           HB1      GLU  28  15.170  22.750  -3.074
  222    HG2  GLU  28           HG2      GLU  28  14.628  20.494  -2.315
  223    HG3  GLU  28           HG1      GLU  28  16.321  20.188  -1.931
  224    H    GLY  29           HN       GLY  29  18.095  21.826  -6.095
  225    HA2  GLY  29           HA2      GLY  29  20.445  21.305  -4.775
  226    HA3  GLY  29           HA1      GLY  29  19.870  19.723  -5.284
  227    HA   PRO  30           HA       PRO  30  22.674  21.629  -8.548
  228    HB2  PRO  30           HB2      PRO  30  22.929  18.674  -8.916
  229    HB3  PRO  30           HB1      PRO  30  24.175  19.930  -9.045
  230    HG2  PRO  30           HG2      PRO  30  24.001  18.381  -6.881
  231    HG3  PRO  30           HG1      PRO  30  24.432  20.096  -6.751
  232    HD2  PRO  30           HD2      PRO  30  21.876  18.741  -6.018
  233    HD3  PRO  30           HD1      PRO  30  22.599  20.221  -5.346
  234    HA   PRO  31           HA       PRO  31  19.185  21.490 -11.452
  235    HB2  PRO  31           HB2      PRO  31  21.390  21.767 -13.479
  236    HB3  PRO  31           HB1      PRO  31  19.880  22.687 -13.325
  237    HG2  PRO  31           HG2      PRO  31  22.245  23.690 -12.546
  238    HG3  PRO  31           HG1      PRO  31  20.731  24.077 -11.712
  239    HD2  PRO  31           HD2      PRO  31  22.981  22.373 -10.790
  240    HD3  PRO  31           HD1      PRO  31  21.736  23.222  -9.849
  241    H    HIS  32           HN       HIS  32  22.165  19.894 -12.688
  242    HA   HIS  32           HA       HIS  32  20.607  17.876 -14.043
  243    HB2  HIS  32           HB2      HIS  32  22.804  18.855 -14.872
  244    HB3  HIS  32           HB1      HIS  32  23.600  17.896 -13.625
  245    HD2  HIS  32           HD2      HIS  32  22.063  17.406 -17.153
  246    HE1  HIS  32           HE1      HIS  32  23.028  13.569 -15.679
  247    HE2  HIS  32           HE2      HIS  32  22.296  14.869 -17.734
  248    H    ALA  33           HN       ALA  33  21.747  18.245 -10.844
  249    HA   ALA  33           HA       ALA  33  21.176  15.433 -10.315
  250    HB1  ALA  33           HB1      ALA  33  23.276  15.657  -8.671
  251    HB2  ALA  33           HB2      ALA  33  23.815  16.780  -9.918
  252    HB3  ALA  33           HB3      ALA  33  23.465  15.105 -10.335
  253    HA   PRO  34           HA       PRO  34  19.544  18.603  -7.292
  254    HB2  PRO  34           HB2      PRO  34  16.869  18.165  -7.664
  255    HB3  PRO  34           HB1      PRO  34  17.806  19.310  -8.645
  256    HG2  PRO  34           HG2      PRO  34  16.872  16.563  -9.307
  257    HG3  PRO  34           HG1      PRO  34  17.032  17.987 -10.349
  258    HD2  PRO  34           HD2      PRO  34  18.874  15.890 -10.258
  259    HD3  PRO  34           HD1      PRO  34  19.241  17.523 -10.850
  260    H    ARG  35           HN       ARG  35  18.554  18.221  -5.223
  261    HA   ARG  35           HA       ARG  35  18.525  15.356  -4.462
  262    HB2  ARG  35           HB2      ARG  35  18.844  17.891  -2.848
  263    HB3  ARG  35           HB1      ARG  35  18.674  16.288  -2.131
  264    HG2  ARG  35           HG2      ARG  35  20.665  15.518  -3.344
  265    HG3  ARG  35           HG1      ARG  35  20.828  17.102  -4.102
  266    HD2  ARG  35           HD2      ARG  35  21.128  18.141  -1.898
  267    HD3  ARG  35           HD1      ARG  35  20.932  16.571  -1.122
  268    HE   ARG  35           HE       ARG  35  23.002  16.302  -2.971
  269   HH11  ARG  35          HH21      ARG  35  22.238  18.140  -0.144
  270   HH12  ARG  35          HH22      ARG  35  23.884  18.285   0.376
  271   HH21  ARG  35          HH11      ARG  35  25.161  16.485  -2.300
  272   HH22  ARG  35          HH12      ARG  35  25.540  17.347  -0.846
  273    H    PHE  36           HN       PHE  36  16.712  14.443  -3.426
  274    HA   PHE  36           HA       PHE  36  14.245  16.096  -3.593
  275    HB2  PHE  36           HB2      PHE  36  14.699  13.103  -3.616
  276    HB3  PHE  36           HB1      PHE  36  13.126  13.899  -3.681
  277    HD1  PHE  36           HD2      PHE  36  12.438  15.164  -5.603
  278    HD2  PHE  36           HD1      PHE  36  16.244  13.205  -5.478
  279    HE1  PHE  36           HE2      PHE  36  12.653  15.426  -8.055
  280    HE2  PHE  36           HE1      PHE  36  16.476  13.485  -7.911
  281    HZ   PHE  36           HZ       PHE  36  14.677  14.593  -9.224
  282    H    ARG  37           HN       ARG  37  13.940  16.944  -1.619
  283    HA   ARG  37           HA       ARG  37  14.125  15.132   0.733
  284    HB2  ARG  37           HB2      ARG  37  13.723  18.118   0.840
  285    HB3  ARG  37           HB1      ARG  37  14.385  17.043   2.072
  286    HG2  ARG  37           HG2      ARG  37  16.315  16.580   0.484
  287    HG3  ARG  37           HG1      ARG  37  15.688  17.873  -0.536
  288    HD2  ARG  37           HD2      ARG  37  16.542  18.164   2.360
  289    HD3  ARG  37           HD1      ARG  37  17.445  18.729   0.958
  290    HE   ARG  37           HE       ARG  37  14.910  19.885   0.807
  291   HH11  ARG  37          HH21      ARG  37  17.674  19.846   2.893
  292   HH12  ARG  37          HH22      ARG  37  17.430  21.460   3.474
  293   HH21  ARG  37          HH11      ARG  37  14.585  22.001   1.567
  294   HH22  ARG  37          HH12      ARG  37  15.681  22.680   2.725
  295    H    CYS  38           HN       CYS  38  12.253  14.183   1.196
  296    HA   CYS  38           HA       CYS  38   9.746  15.734   0.874
  297    HB2  CYS  38           HB2      CYS  38   9.931  13.802  -0.674
  298    HB3  CYS  38           HB1      CYS  38  10.081  12.729   0.720
  299    HG   CYS  38           HG       CYS  38   7.570  12.727   0.405
  300    H    ASN  39           HN       ASN  39   8.158  15.514   2.401
  301    HA   ASN  39           HA       ASN  39   8.997  14.329   5.001
  302    HB2  ASN  39           HB2      ASN  39   7.525  16.903   4.455
  303    HB3  ASN  39           HB1      ASN  39   7.594  16.144   6.044
  304   HD21  ASN  39          HD21      ASN  39   8.748  18.695   5.731
  305   HD22  ASN  39          HD22      ASN  39  10.438  18.558   5.804
  306    H    VAL  40           HN       VAL  40   7.220  13.670   6.394
  307    HA   VAL  40           HA       VAL  40   4.767  12.913   4.895
  308    HB   VAL  40           HB       VAL  40   6.032  10.898   5.157
  309   HG11  VAL  40          HG11      VAL  40   7.040  10.213   7.241
  310   HG12  VAL  40          HG12      VAL  40   6.310  11.562   8.103
  311   HG13  VAL  40          HG13      VAL  40   7.576  11.856   6.917
  312   HG21  VAL  40          HG21      VAL  40   4.178  10.890   7.548
  313   HG22  VAL  40          HG22      VAL  40   4.543   9.564   6.443
  314   HG23  VAL  40          HG23      VAL  40   3.565  10.925   5.894
  315    H    THR  41           HN       THR  41   2.957  13.598   5.780
  316    HA   THR  41           HA       THR  41   2.991  14.630   8.556
  317    HB   THR  41           HB       THR  41   1.080  15.192   6.274
  318    HG1  THR  41           HG1      THR  41   3.002  16.230   5.938
  319   HG21  THR  41          HG21      THR  41  -0.114  15.360   8.347
  320   HG22  THR  41          HG22      THR  41   0.305  17.005   7.869
  321   HG23  THR  41          HG23      THR  41   1.233  16.189   9.126
  322    H    PHE  42           HN       PHE  42   2.008  13.440  10.064
  323    HA   PHE  42           HA       PHE  42  -0.406  11.914   9.369
  324    HB2  PHE  42           HB2      PHE  42   1.865  10.518   9.268
  325    HB3  PHE  42           HB1      PHE  42   1.704  10.510  11.024
  326    HD1  PHE  42           HD1      PHE  42  -0.443  10.098   8.021
  327    HD2  PHE  42           HD2      PHE  42   0.512   8.670  11.941
  328    HE1  PHE  42           HE1      PHE  42  -2.154   8.337   7.769
  329    HE2  PHE  42           HE2      PHE  42  -1.210   6.886  11.699
  330    HZ   PHE  42           HZ       PHE  42  -2.540   6.728   9.623
  331    H    CYS  43           HN       CYS  43  -1.891  11.915  11.018
  332    HA   CYS  43           HA       CYS  43  -2.876  12.778  12.917
  333    HB2  CYS  43           HB2      CYS  43  -0.473  11.604  14.312
  334    HB3  CYS  43           HB1      CYS  43  -2.140  11.685  14.883
  335    HG   CYS  43           HG       CYS  43  -2.729   9.966  12.892
  336    H    GLY  44           HN       GLY  44  -1.018  14.651  11.592
  337    HA2  GLY  44           HA2      GLY  44  -0.397  16.826  12.055
  338    HA3  GLY  44           HA1      GLY  44  -0.810  16.555  13.743
  339    H    GLN  45           HN       GLN  45   1.365  14.384  12.098
  340    HA   GLN  45           HA       GLN  45   3.661  15.534  13.602
  341    HB2  GLN  45           HB2      GLN  45   3.012  12.638  13.004
  342    HB3  GLN  45           HB1      GLN  45   4.520  13.204  13.713
  343    HG2  GLN  45           HG2      GLN  45   3.306  14.169  15.605
  344    HG3  GLN  45           HG1      GLN  45   1.773  13.684  14.885
  345   HE21  GLN  45          HE21      GLN  45   4.038  12.728  17.159
  346   HE22  GLN  45          HE22      GLN  45   3.695  11.066  17.190
  347    H    THR  46           HN       THR  46   5.277  16.230  12.367
  348    HA   THR  46           HA       THR  46   5.476  15.232   9.587
  349    HB   THR  46           HB       THR  46   6.570  17.339   9.054
  350    HG1  THR  46           HG1      THR  46   5.987  18.402  11.546
  351   HG21  THR  46          HG21      THR  46   4.154  17.352   8.892
  352   HG22  THR  46          HG22      THR  46   4.669  18.892   9.579
  353   HG23  THR  46          HG23      THR  46   3.999  17.640  10.626
  354    H    PHE  47           HN       PHE  47   6.812  13.534   9.753
  355    HA   PHE  47           HA       PHE  47   9.396  13.866  11.138
  356    HB2  PHE  47           HB2      PHE  47   7.761  11.499  10.250
  357    HB3  PHE  47           HB1      PHE  47   9.500  11.312  10.471
  358    HD1  PHE  47           HD1      PHE  47   6.865  13.273  12.328
  359    HD2  PHE  47           HD2      PHE  47   9.948  10.275  12.519
  360    HE1  PHE  47           HE1      PHE  47   6.565  13.101  14.789
  361    HE2  PHE  47           HE2      PHE  47   9.636  10.109  14.973
  362    HZ   PHE  47           HZ       PHE  47   7.943  11.521  16.107
  363    H    GLN  48           HN       GLN  48  11.304  13.776  10.114
  364    HA   GLN  48           HA       GLN  48  11.427  13.229   7.233
  365    HB2  GLN  48           HB2      GLN  48  10.997  15.676   7.478
  366    HB3  GLN  48           HB1      GLN  48  12.468  15.802   8.445
  367    HG2  GLN  48           HG2      GLN  48  13.798  14.943   6.564
  368    HG3  GLN  48           HG1      GLN  48  12.334  14.775   5.596
  369   HE21  GLN  48          HE21      GLN  48  12.588  16.392   4.023
  370   HE22  GLN  48          HE22      GLN  48  12.863  18.030   4.378
  371    H    SER  49           HN       SER  49  13.475  12.656   6.516
  372    HA   SER  49           HA       SER  49  15.273  11.685   8.599
  373    HB2  SER  49           HB2      SER  49  14.713  10.194   6.742
  374    HB3  SER  49           HB1      SER  49  15.326  11.380   5.595
  375    HG   SER  49           HG       SER  49  16.676   9.496   6.805
  376    H    SER  50           HN       SER  50  17.613  12.026   8.391
  377    HA   SER  50           HA       SER  50  18.200  14.836   7.787
  378    HB2  SER  50           HB2      SER  50  20.198  14.513   9.078
  379    HB3  SER  50           HB1      SER  50  18.873  13.761   9.962
  380    HG   SER  50           HG       SER  50  20.456  12.316   8.120
  381    H    GLU  51           HN       GLU  51  18.245  11.976   6.132
  382    HA   GLU  51           HA       GLU  51  20.620  12.734   4.515
  383    HB2  GLU  51           HB2      GLU  51  20.711  10.478   5.556
  384    HB3  GLU  51           HB1      GLU  51  19.240  10.047   4.682
  385    HG2  GLU  51           HG2      GLU  51  20.363  10.457   2.538
  386    HG3  GLU  51           HG1      GLU  51  21.826  10.959   3.385
  387    H    PHE  52           HN       PHE  52  20.371  13.261   2.481
  388    HA   PHE  52           HA       PHE  52  17.653  13.421   1.379
  389    HB2  PHE  52           HB2      PHE  52  19.894  14.379  -0.314
  390    HB3  PHE  52           HB1      PHE  52  18.392  15.187   0.135
  391    HD1  PHE  52           HD1      PHE  52  21.630  14.080   1.403
  392    HD2  PHE  52           HD2      PHE  52  18.405  16.821   1.833
  393    HE1  PHE  52           HE1      PHE  52  22.959  15.335   3.104
  394    HE2  PHE  52           HE2      PHE  52  19.704  18.113   3.540
  395    HZ   PHE  52           HZ       PHE  52  21.983  17.348   4.169
  396    H    PHE  53           HN       PHE  53  17.034  12.465  -0.458
  397    HA   PHE  53           HA       PHE  53  18.662  10.209  -1.413
  398    HB2  PHE  53           HB2      PHE  53  15.775  10.345  -2.149
  399    HB3  PHE  53           HB1      PHE  53  16.750   8.958  -1.652
  400    HD1  PHE  53           HD1      PHE  53  14.852  11.886  -0.488
  401    HD2  PHE  53           HD2      PHE  53  17.048   8.409   0.678
  402    HE1  PHE  53           HE1      PHE  53  14.005  12.152   1.818
  403    HE2  PHE  53           HE2      PHE  53  16.212   8.673   2.976
  404    HZ   PHE  53           HZ       PHE  53  14.684  10.525   3.564
  405    HA   PRO  54           HA       PRO  54  18.879  12.193  -5.415
  406    HB2  PRO  54           HB2      PRO  54  19.632  10.114  -6.979
  407    HB3  PRO  54           HB1      PRO  54  20.699  10.772  -5.721
  408    HG2  PRO  54           HG2      PRO  54  18.996   8.317  -5.660
  409    HG3  PRO  54           HG1      PRO  54  20.641   8.565  -5.045
  410    HD2  PRO  54           HD2      PRO  54  18.364   8.642  -3.447
  411    HD3  PRO  54           HD1      PRO  54  19.909   9.435  -3.052
  412    H    THR  55           HN       THR  55  16.437  10.048  -4.614
  413    HA   THR  55           HA       THR  55  15.016  10.500  -7.196
  414    HB   THR  55           HB       THR  55  13.869   8.203  -6.403
  415    HG1  THR  55           HG1      THR  55  16.352   7.386  -5.725
  416   HG21  THR  55          HG21      THR  55  14.969   8.492  -8.561
  417   HG22  THR  55          HG22      THR  55  15.497   6.980  -7.822
  418   HG23  THR  55          HG23      THR  55  16.554   8.394  -7.793
  419    H    LEU  56           HN       LEU  56  12.849  10.895  -7.120
  420    HA   LEU  56           HA       LEU  56  11.909  12.301  -4.869
  421    HB2  LEU  56           HB2      LEU  56  11.235  12.415  -7.401
  422    HB3  LEU  56           HB1      LEU  56  10.010  11.238  -6.929
  423    HG   LEU  56           HG       LEU  56  10.454  13.942  -5.629
  424   HD11  LEU  56          HD11      LEU  56   9.502  13.945  -7.929
  425   HD12  LEU  56          HD12      LEU  56   8.418  14.596  -6.702
  426   HD13  LEU  56          HD13      LEU  56   8.168  12.967  -7.327
  427   HD21  LEU  56          HD21      LEU  56   8.587  11.632  -5.063
  428   HD22  LEU  56          HD22      LEU  56   8.128  13.283  -4.642
  429   HD23  LEU  56          HD23      LEU  56   9.568  12.565  -3.930
  430    H    LYS  57           HN       LYS  57  10.496   9.264  -6.254
  431    HA   LYS  57           HA       LYS  57   8.780   8.749  -4.173
  432    HB2  LYS  57           HB2      LYS  57  10.237   6.871  -6.042
  433    HB3  LYS  57           HB1      LYS  57   8.926   6.364  -4.977
  434    HG2  LYS  57           HG2      LYS  57   7.416   8.002  -6.054
  435    HG3  LYS  57           HG1      LYS  57   8.729   8.506  -7.120
  436    HD2  LYS  57           HD2      LYS  57   8.871   6.249  -8.062
  437    HD3  LYS  57           HD1      LYS  57   7.613   5.690  -6.959
  438    HE2  LYS  57           HE2      LYS  57   6.627   6.158  -9.147
  439    HE3  LYS  57           HE1      LYS  57   6.038   7.335  -7.973
  440    HZ1  LYS  57           HZ1      LYS  57   8.371   7.827  -9.735
  441    HZ2  LYS  57           HZ2      LYS  57   7.533   8.956  -8.779
  442    HZ3  LYS  57           HZ3      LYS  57   6.787   8.276 -10.147
  443    H    SER  58           HN       SER  58  12.191   7.961  -4.483
  444    HA   SER  58           HA       SER  58  12.451   6.140  -2.390
  445    HB2  SER  58           HB2      SER  58  14.347   8.244  -3.435
  446    HB3  SER  58           HB1      SER  58  14.808   7.054  -2.221
  447    HG   SER  58           HG       SER  58  13.502   6.065  -4.447
  448    H    ALA  59           HN       ALA  59  12.145   9.623  -2.387
  449    HA   ALA  59           HA       ALA  59  12.852   9.994   0.351
  450    HB1  ALA  59           HB1      ALA  59  12.814  11.745  -1.554
  451    HB2  ALA  59           HB2      ALA  59  12.280  12.251   0.050
  452    HB3  ALA  59           HB3      ALA  59  11.095  11.871  -1.199
  453    H    GLU  60           HN       GLU  60   9.781   9.619  -1.358
  454    HA   GLU  60           HA       GLU  60   8.118  10.116   0.877
  455    HB2  GLU  60           HB2      GLU  60   7.656   8.519  -1.647
  456    HB3  GLU  60           HB1      GLU  60   6.396   8.887  -0.470
  457    HG2  GLU  60           HG2      GLU  60   6.758  11.288  -0.786
  458    HG3  GLU  60           HG1      GLU  60   8.083  10.959  -1.902
  459    H    HIS  61           HN       HIS  61   9.512   7.135  -0.443
  460    HA   HIS  61           HA       HIS  61   8.181   5.360   1.323
  461    HB2  HIS  61           HB2      HIS  61  10.816   5.040  -0.134
  462    HB3  HIS  61           HB1      HIS  61   9.901   3.734   0.622
  463    HD2  HIS  61           HD2      HIS  61  10.258   5.005  -2.825
  464    HE1  HIS  61           HE1      HIS  61   6.180   3.935  -2.602
  465    HE2  HIS  61           HE2      HIS  61   8.077   4.528  -4.181
  466    H    ALA  62           HN       ALA  62  11.396   6.877   1.441
  467    HA   ALA  62           HA       ALA  62  12.237   5.649   3.850
  468    HB1  ALA  62           HB1      ALA  62  13.105   8.338   2.775
  469    HB2  ALA  62           HB2      ALA  62  13.732   6.796   2.192
  470    HB3  ALA  62           HB3      ALA  62  14.007   7.286   3.865
  471    H    ALA  63           HN       ALA  63  10.445   8.604   3.162
  472    HA   ALA  63           HA       ALA  63  10.553   9.789   5.703
  473    HB1  ALA  63           HB1      ALA  63   8.668  11.094   5.002
  474    HB2  ALA  63           HB2      ALA  63   8.182   9.873   3.827
  475    HB3  ALA  63           HB3      ALA  63   9.650  10.814   3.566
  476    H    ALA  64           HN       ALA  64   8.364   7.349   4.361
  477    HA   ALA  64           HA       ALA  64   6.659   7.244   6.634
  478    HB1  ALA  64           HB1      ALA  64   6.028   4.963   5.617
  479    HB2  ALA  64           HB2      ALA  64   7.117   5.403   4.299
  480    HB3  ALA  64           HB3      ALA  64   5.715   6.405   4.655
  481    H    LYS  65           HN       LYS  65   9.647   5.586   5.769
  482    HA   LYS  65           HA       LYS  65   9.631   3.479   7.583
  483    HB2  LYS  65           HB2      LYS  65  11.332   3.854   5.803
  484    HB3  LYS  65           HB1      LYS  65  12.020   5.150   6.780
  485    HG2  LYS  65           HG2      LYS  65  12.473   3.572   8.601
  486    HG3  LYS  65           HG1      LYS  65  11.735   2.267   7.670
  487    HD2  LYS  65           HD2      LYS  65  13.431   2.570   5.901
  488    HD3  LYS  65           HD1      LYS  65  14.178   3.861   6.846
  489    HE2  LYS  65           HE2      LYS  65  15.381   1.765   7.225
  490    HE3  LYS  65           HE1      LYS  65  14.546   2.246   8.702
  491    HZ1  LYS  65           HZ1      LYS  65  13.650   0.227   8.658
  492    HZ2  LYS  65           HZ2      LYS  65  14.154  -0.066   7.062
  493    HZ3  LYS  65           HZ3      LYS  65  12.702   0.766   7.358
  494    H    ILE  66           HN       ILE  66  10.799   6.818   8.095
  495    HA   ILE  66           HA       ILE  66  11.516   6.329  10.798
  496    HB   ILE  66           HB       ILE  66  11.625   8.847  10.894
  497   HG12  ILE  66          HG12      ILE  66  10.967   8.603   7.951
  498   HG13  ILE  66          HG11      ILE  66   9.851   9.221   9.167
  499   HG21  ILE  66          HG21      ILE  66  13.537   7.380  10.240
  500   HG22  ILE  66          HG22      ILE  66  13.590   8.958   9.452
  501   HG23  ILE  66          HG23      ILE  66  13.039   7.542   8.557
  502   HD11  ILE  66          HD11      ILE  66  10.861  11.155   8.244
  503   HD12  ILE  66          HD12      ILE  66  12.461  10.416   8.247
  504   HD13  ILE  66          HD13      ILE  66  11.710  10.895   9.768
  505    H    ALA  67           HN       ALA  67   8.636   7.638   9.213
  506    HA   ALA  67           HA       ALA  67   7.330   8.519  11.576
  507    HB1  ALA  67           HB1      ALA  67   6.196   7.728   8.887
  508    HB2  ALA  67           HB2      ALA  67   6.707   9.343   9.369
  509    HB3  ALA  67           HB3      ALA  67   5.313   8.595  10.146
  510    H    VAL  68           HN       VAL  68   6.927   5.559   9.632
  511    HA   VAL  68           HA       VAL  68   4.912   4.414  11.216
  512    HB   VAL  68           HB       VAL  68   5.576   3.687   8.896
  513   HG11  VAL  68          HG11      VAL  68   7.459   2.272   8.568
  514   HG12  VAL  68          HG12      VAL  68   7.710   2.074  10.302
  515   HG13  VAL  68          HG13      VAL  68   8.051   3.617   9.534
  516   HG21  VAL  68          HG21      VAL  68   5.547   1.486  10.984
  517   HG22  VAL  68          HG22      VAL  68   5.054   1.340   9.297
  518   HG23  VAL  68          HG23      VAL  68   4.111   2.333  10.407
  519    H    ALA  69           HN       ALA  69   8.394   4.493  11.518
  520    HA   ALA  69           HA       ALA  69   8.578   2.432  13.494
  521    HB1  ALA  69           HB1      ALA  69  10.555   2.927  12.257
  522    HB2  ALA  69           HB2      ALA  69  10.852   3.484  13.904
  523    HB3  ALA  69           HB3      ALA  69  10.447   4.646  12.641
  524    H    SER  70           HN       SER  70   7.851   5.828  13.534
  525    HA   SER  70           HA       SER  70   8.419   6.321  16.289
  526    HB2  SER  70           HB2      SER  70   8.196   8.138  14.631
  527    HB3  SER  70           HB1      SER  70   6.489   7.746  14.442
  528    HG   SER  70           HG       SER  70   7.564   8.238  16.994
  529    H    LEU  71           HN       LEU  71   5.471   5.461  14.517
  530    HA   LEU  71           HA       LEU  71   3.735   5.496  16.770
  531    HB2  LEU  71           HB2      LEU  71   3.413   3.894  14.222
  532    HB3  LEU  71           HB1      LEU  71   2.136   4.384  15.336
  533    HG   LEU  71           HG       LEU  71   3.891   6.268  13.736
  534   HD11  LEU  71          HD11      LEU  71   0.935   5.663  13.451
  535   HD12  LEU  71          HD12      LEU  71   2.189   4.967  12.425
  536   HD13  LEU  71          HD13      LEU  71   1.908   6.708  12.414
  537   HD21  LEU  71          HD21      LEU  71   1.997   7.886  14.566
  538   HD22  LEU  71          HD22      LEU  71   3.312   7.479  15.663
  539   HD23  LEU  71          HD23      LEU  71   1.752   6.674  15.825
  540    H    THR  72           HN       THR  72   5.894   3.110  15.435
  541    HA   THR  72           HA       THR  72   5.616   1.472  17.806
  542    HB   THR  72           HB       THR  72   3.839   0.391  16.747
  543    HG1  THR  72           HG1      THR  72   4.680  -1.555  16.122
  544   HG21  THR  72          HG21      THR  72   3.868  -0.097  14.282
  545   HG22  THR  72          HG22      THR  72   5.355   0.845  14.166
  546   HG23  THR  72          HG23      THR  72   3.854   1.623  14.669