*HEADER    DE NOVO PROTEIN                         25-FEB-05   1YYJ              
*TITLE     THE NMR SOLUTION STRUCTURE OF A REDESIGNED APOCYTOCHROME              
*TITLE    2 B562:RD-APOCYT B562                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: REDESIGNED APOCYTOCHROME B562;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS           
*SOURCE   5 (HUMAN).                                                             
*KEYWDS    FOUR HELIX PROTEIN, STRUCTURAL GENOMICS, PSI, PROTEIN                 
*KEYWDS   2 STRUCTURE INITIATIVE, BERKELEY STRUCTURAL GENOMICS CENTER,           
*KEYWDS   3 BSGC                                                                 
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    H.FENG, J.TAKEI, R.LIPSITZ, N.TJANDRA, Y.BAI, BERKELEY                
*AUTHOR   2 STRUCTURAL GENOMICS CENTER (BSGC)                                    
*REVDAT   1   25-AUG-05 1YYJ    0                                                

!
! A1
assign (resid   1 and name   HA ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.548  at 8.72e+06
assign (resid   1 and name   HA ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.117  at 1.41e+05
assign (resid   1 and name   HA ) (resid   4 and name   HN )  4.5  2.2  2.0 ! A.1232 at 1.46e+05
assign (resid   1 and name  HB# ) (resid   5 and name   HN )  4.5  2.2  2.5 ! A.672  at 5.20e+05
assign (resid   1 and name   HA ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.667  at 3.16e+05

! D2
assign (resid   2 and name  HB2 ) (resid   2 and name   HN )  2.5  0.7  0.4 ! A.550  at 1.12e+07
assign (resid   2 and name  HB2 ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.119  at 6.29e+06
assign (resid   2 and name   HA ) (resid   3 and name   HN )  3.5  1.2  0.5 ! A.115  at 4.18e+06
assign (resid   2 and name   HN ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.111  at 2.21e+05
assign (resid   2 and name   HN ) (resid   3 and name HD1# )  4.5  2.2  2.5 ! A.554  at 2.23e+05
assign (resid   2 and name   HN ) (resid   3 and name   HG )  3.5  1.2  1.5 ! A.553  at 3.61e+06
assign (resid   2 and name   HN ) (resid   3 and name HD2# )  4.5  2.2  2.5 ! A.555  at 2.07e+05
assign (resid   2 and name   HN ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.660  at 2.25e+05
assign (resid   2 and name   HN ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.546  at 1.09e+05

! L3
assign (resid   3 and name  HB2 ) (resid   3 and name   HN )  4.5  2.2  2.0 ! A.125  at 2.44e+05
assign (resid   3 and name  HB1 ) (resid   3 and name   HN )  3.5  1.2  0.5 ! A.124  at 3.88e+06
assign (resid   3 and name HD2# ) (resid   3 and name   HN )  3.5  1.2  1.0 ! A.129  at 1.66e+06
assign (resid   3 and name   HG ) (resid   3 and name   HN )  2.5  0.7  0.4 ! A.127  at 8.05e+06
assign (resid   3 and name HD1# ) (resid   3 and name   HN )  4.0  2.2  1.5 ! A.128  at 1.42e+06
assign (resid   3 and name   HN ) (resid   4 and name  HB1 )  4.5  2.2  2.0 ! A.122  at 6.74e+05
assign (resid   3 and name   HN ) (resid   4 and name   HA )  4.5  2.2  2.0 ! A.116  at 2.49e+05
assign (resid   3 and name   HN ) (resid   4 and name  HB2 )  4.5  2.2  2.0 ! A.123  at 3.57e+05
assign (resid   3 and name HD1# ) (resid   4 and name   HN )  4.5  2.2  2.5 ! A.1242 at 6.16e+05
assign (resid   3 and name HD2# ) (resid   4 and name   HN )  4.5  2.2  2.5 ! A.1243 at 5.88e+05
assign (resid   3 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.1233 at 9.05e+05
assign (resid   3 and name   HG ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.1241 at 1.98e+06
assign (resid   3 and name  HB2 ) (resid   4 and name   HN )  3.5  1.2  0.5 ! A.1240 at 3.39e+06
assign (resid   3 and name   HN ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.662  at 4.63e+06
assign (resid   3 and name  HB1 ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.671  at 3.17e+05
assign (resid   3 and name   HA ) (resid   5 and name   HN )  4.5  2.2  2.0 ! A.668  at 2.02e+05
assign (resid   3 and name   HN ) (resid   6 and name  HB1 )  4.5  2.2  2.0 ! A.120  at 3.25e+05
assign (resid   3 and name   HN ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.113  at 1.91e+05
assign (resid   3 and name HD2# ) (resid   6 and name   HN )  4.5  2.2  2.5 ! A.716  at 2.62e+05
assign (resid   3 and name   HA ) (resid   6 and name HD22 )  4.5  2.2  2.0 ! A.1411 at 2.77e+05
assign (resid   3 and name   HA ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.696  at 9.26e+05
assign (resid   3 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1410 at 6.36e+05
assign (resid   3 and name   HA ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.618  at 6.84e+05
assign (resid   3 and name HD2# ) (resid  43 and name   HN )  4.5  2.2  2.5 ! A.140  at 7.27e+05
assign (resid   3 and name HD2# ) (resid  44 and name   HN )  4.5  2.2  2.5 ! A.1297 at 4.79e+05

! E4
assign (resid   4 and name  HB1 ) (resid   4 and name   HN )  3.0  0.7  0.5 ! A.1238 at 1.10e+07 C
assign (resid   4 and name  HB2 ) (resid   4 and name   HN )  4.5  2.2  2.0 ! A.1239 at 3.71e+05
assign (resid   4 and name  HG2 ) (resid   4 and name   HN )  2.5  0.7  0.4 ! A.1237 at 6.85e+06
assign (resid   4 and name   HN ) (resid   5 and name   HN )  3.5  1.2  0.5 ! A.1228 at 4.47e+06
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.639  at 4.94e+06
assign (resid   4 and name   HN ) (resid   5 and name  HB1 )  3.5  1.2  0.5 ! A.1235 at 2.21e+06
assign (resid   4 and name   HN ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.1227 at 5.41e+05
assign (resid   4 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1406 at 4.71e+05
assign (resid   4 and name   HA ) (resid   7 and name   HN )  3.5  1.2  0.5 ! A.600  at 2.47e+06
assign (resid   4 and name   HN ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.1229 at 1.63e+05
assign (resid   4 and name   HN ) (resid   7 and name  HB2 )  4.5  2.2  2.0 ! A.1234 at 1.29e+05

! D5
assign (resid   5 and name  HB1 ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.638  at 8.93e+06
assign (resid   5 and name   HN ) (resid   6 and name   HN )  3.5  1.2  0.5 ! A.664  at 3.71e+06
assign (resid   5 and name   HN ) (resid   6 and name  HB2 )  4.5  2.2  2.0 ! A.670  at 3.03e+05
assign (resid   5 and name  HB1 ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.699  at 4.67e+06
assign (resid   5 and name   HN ) (resid   7 and name  HB2 )  4.5  2.2  2.0 ! A.669  at 2.85e+05
assign (resid   5 and name   HN ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.661  at 2.09e+05
assign (resid   5 and name   HN ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.665  at 2.47e+05
assign (resid   5 and name  HB1 ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.620  at 2.11e+05
assign (resid   5 and name   HA ) (resid   8 and name   HN )  3.5  1.2  0.5 ! A.680  at 2.21e+06

! N6
assign (resid   6 and name  HB2 ) (resid   6 and name   HN )  3.5  1.2  0.5 ! A.715  at 4.10e+06
assign (resid   6 and name  HB1 ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.714  at 5.02e+06
assign (resid   6 and name HD21 ) (resid   6 and name   HN )  3.0  0.7  0.6 ! A.710  at 5.27e+06 C
assign (resid   6 and name HD22 ) (resid   6 and name   HN )  4.5  2.2  2.0 ! A.712  at 1.91e+05
assign (resid   6 and name   HA ) (resid   6 and name HD21 )  4.5  2.2  2.0 ! A.1404 at 1.82e+05
assign (resid   6 and name  HB1 ) (resid   6 and name HD22 )  4.0  2.2  1.0 ! A.1418 at 1.28e+06
assign (resid   6 and name  HB2 ) (resid   6 and name HD22 )  4.0  2.2  1.0 ! A.1420 at 1.36e+06
assign (resid   6 and name  HB2 ) (resid   6 and name HD21 )  3.5  1.2  0.5 ! A.1419 at 2.01e+06
assign (resid   6 and name   HA ) (resid   6 and name HD22 )  4.0  2.2  1.0 ! A.1405 at 8.82e+05
assign (resid   6 and name  HB1 ) (resid   6 and name HD21 )  3.5  1.2  0.5 ! A.1417 at 1.67e+06
assign (resid   6 and name HD22 ) (resid   7 and name  HD1 )  4.5  2.2  2.0 ! A.1400 at 4.90e+05
assign (resid   6 and name HD21 ) (resid   7 and name  HB2 )  4.5  2.2  2.0 ! A.1415 at 1.75e+05
assign (resid   6 and name HD21 ) (resid   7 and name   HA )  4.5  2.2  2.0 ! A.1402 at 2.39e+05
assign (resid   6 and name HD22 ) (resid   7 and name   HA )  4.5  2.2  2.0 ! A.1403 at 2.64e+05
assign (resid   6 and name HD22 ) (resid   7 and name  HB2 )  4.5  2.2  2.0 ! A.1416 at 3.57e+05
assign (resid   6 and name   HN ) (resid   7 and name   HN )  3.5  1.2  0.5 ! A.706  at 2.96e+06
assign (resid   6 and name HD22 ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.1394 at 3.27e+05
assign (resid   6 and name HD21 ) (resid   8 and name   HN )  4.5  2.2  2.0 ! A.1396 at 2.51e+05
assign (resid   6 and name HD21 ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.865  at 2.63e+05
assign (resid   6 and name HD21 ) (resid   9 and name   HB )  4.5  2.2  2.0 ! A.1407 at 4.44e+05
assign (resid   6 and name   HN ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.707  at 2.09e+05
assign (resid   6 and name   HA ) (resid   9 and name   HN )  3.5  1.2  0.5 ! A.867  at 3.09e+06
assign (resid   6 and name   HA ) (resid  10 and name   HN )  4.5  2.2  2.0 ! A.173  at 6.89e+05
assign (resid   6 and name HD21 ) (resid  10 and name   HN )  4.5  2.2  2.0 ! A.1395 at 9.11e+04
assign (resid   6 and name HD22 ) (resid  10 and name HD2# )  4.0  2.2  1.5 ! A.1429 at 1.24e+06
assign (resid   6 and name HD22 ) (resid  10 and name  HB2 )  4.5  2.2  2.0 ! A.1422 at 3.50e+05
assign (resid   6 and name HD22 ) (resid  10 and name HD1# )  4.5  2.2  2.5 ! A.1428 at 2.69e+05
assign (resid   6 and name HD22 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.1167 at 3.66e+05
assign (resid   6 and name HD22 ) (resid  36 and name  HB# )  4.5  2.2  2.5 ! A.1312 at 5.23e+05
assign (resid   6 and name HD21 ) (resid  36 and name  HB# )  4.5  2.2  2.5 ! A.1426 at 7.43e+05
assign (resid   6 and name HD22 ) (resid  37 and name   HA )  4.5  2.2  2.0 ! A.1412 at 1.45e+05
assign (resid   6 and name HD22 ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.1431 at 2.62e+05
assign (resid   6 and name HD21 ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.1430 at 4.63e+05
assign (resid   6 and name HD22 ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.1414 at 2.83e+05

! W7
assign (resid   7 and name  HD1 ) (resid   7 and name   HN )  4.5  2.2  2.0 ! A.615  at 4.69e+05
assign (resid   7 and name  HB# ) (resid   7 and name   HN )  2.5  0.7  0.9 ! A.619  at 9.21e+06
assign (resid   7 and name  HB2 ) (resid   8 and name   HN )  4.5  2.2  2.0 ! A.685  at 2.34e+05
assign (resid   7 and name  HB1 ) (resid   8 and name   HN )  3.5  1.2  0.5 ! A.684  at 4.22e+06
assign (resid   7 and name   HA ) (resid   8 and name   HN )  4.5  2.2  2.0 ! A.679  at 3.10e+05
assign (resid   7 and name   HA ) (resid   9 and name   HN )  3.5  1.2  0.5 ! A.866  at 2.00e+06
assign (resid   7 and name  HB2 ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.871  at 2.72e+05
assign (resid   7 and name  HB1 ) (resid   9 and name   HN )  4.5  2.2  2.0 ! A.871  at 2.72e+05
assign (resid   7 and name   HA ) (resid  10 and name   HN )  4.0  2.2  1.0 ! A.172  at 1.29e+06
assign (resid   7 and name   HA ) (resid  11 and name   HN )  3.0  0.7  0.6 ! A.1168 at 6.70e+06 OC

! E8
assign (resid   8 and name  HB1 ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.688  at 1.26e+07
assign (resid   8 and name  HB2 ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.689  at 1.24e+07
assign (resid   8 and name  HG2 ) (resid   8 and name   HN )  3.5  1.2  0.5 ! A.687  at 3.40e+06
assign (resid   8 and name   HN ) (resid   9 and name   HA )  4.5  2.2  2.0 ! A.683  at 2.64e+05
assign (resid   8 and name  HB1 ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.876  at 6.75e+06
assign (resid   8 and name   HN ) (resid   9 and name   HN )  3.5  1.2  0.5 ! A.674  at 3.91e+06
assign (resid   8 and name  HG# ) (resid   9 and name   HN )  4.0  2.2  1.5 ! A.875  at 1.25e+06
assign (resid   8 and name  HB2 ) (resid   9 and name   HN )  3.5  1.2  0.5 ! A.851  at 1.58e+06
assign (resid   8 and name   HA ) (resid  11 and name HD22 )  4.5  2.2  2.0 ! A.1579 at 3.67e+05
assign (resid   8 and name   HN ) (resid  11 and name  HB2 )  4.0  1.2  1.0 ! A.686  at 1.56e+06
assign (resid   8 and name   HN ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.1165 at 1.17e+06
assign (resid   8 and name   HA ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.1150 at 1.90e+06
assign (resid   8 and name  HB# ) (resid  11 and name   HN )  4.0  2.2  1.5 ! A.1172 at 1.48e+06
assign (resid   8 and name   HA ) (resid  11 and name HD21 )  4.5  2.2  2.0 ! A.1578 at 5.41e+05
assign (resid   8 and name  HG2 ) (resid  12 and name   HN )  4.0  2.2  1.0 ! A.472  at 8.74e+05
assign (resid   8 and name  HB1 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.473  at 3.82e+05
assign (resid   8 and name  HB2 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.474  at 1.71e+05
assign (resid   8 and name   HN ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.673  at 3.85e+05

! T9
assign (resid   9 and name HG2# ) (resid   9 and name   HN )  3.5  1.2  1.0 ! A.879  at 2.71e+06
assign (resid   9 and name   HB ) (resid   9 and name   HN )  2.5  0.7  0.4 ! A.868  at 8.69e+06
assign (resid   9 and name   HN ) (resid  10 and name   HN )  2.5  0.7  0.4 ! A.863  at 5.00e+06
assign (resid   9 and name   HB ) (resid  10 and name   HN )  3.5  1.2  0.5 ! A.174  at 3.59e+06
assign (resid   9 and name   HN ) (resid  10 and name  HB2 )  4.5  2.2  2.0 ! A.877  at 6.25e+05
assign (resid   9 and name   HN ) (resid  11 and name  HB1 )  4.5  2.2  2.0 ! A.873  at 3.18e+05
assign (resid   9 and name   HA ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.1151 at 1.79e+06
assign (resid   9 and name   HA ) (resid  12 and name   HN )  3.5  1.2  0.5 ! A.468  at 1.84e+06
assign (resid   9 and name   HN ) (resid  12 and name  HB1 )  4.5  2.2  2.0 ! A.872  at 1.59e+05
assign (resid   9 and name HG2# ) (resid  13 and name   HN )  3.5  1.2  1.0 ! A.1070 at 1.64e+06
assign (resid   9 and name HG2# ) (resid  13 and name HD21 )  2.5  0.7  0.9 ! A.1455 at 6.03e+06
assign (resid   9 and name HG2# ) (resid  13 and name HD22 )  2.5  0.7  0.9 ! A.1456 at 6.63e+06
assign (resid   9 and name   HB ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1442 at 2.14e+05
assign (resid   9 and name   HN ) (resid  36 and name  HB# )  4.0  2.2  1.5 ! A.878  at 9.77e+05

! L10
assign (resid  10 and name HD1# ) (resid  10 and name   HN )  3.5  1.2  1.0 ! A.183  at 4.19e+06
assign (resid  10 and name  HB# ) (resid  10 and name   HN )  2.5  0.7  0.9 ! A.180  at 7.07e+06
assign (resid  10 and name   HG ) (resid  10 and name   HN )  4.5  2.2  2.0 ! A.181  at 6.90e+05
assign (resid  10 and name   HN ) (resid  11 and name  HB2 )  4.5  2.2  2.0 ! A.178  at 3.10e+05
assign (resid  10 and name   HN ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.168  at 7.36e+06
assign (resid  10 and name   HG ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.1159 at 3.65e+06
assign (resid  10 and name   HA ) (resid  11 and name   HN )  3.5  1.2  0.5 ! A.1151 at 1.79e+06
assign (resid  10 and name  HB2 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.1173 at 6.56e+05
assign (resid  10 and name   HN ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.166  at 2.05e+05
assign (resid  10 and name   HG ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.476  at 4.24e+05
assign (resid  10 and name  HB1 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.475  at 5.29e+05
assign (resid  10 and name   HN ) (resid  13 and name  HB# )  4.0  2.2  1.5 ! A.179  at 1.27e+06
assign (resid  10 and name   HN ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.170  at 4.37e+05
assign (resid  10 and name   HG ) (resid  13 and name   HN )  4.5  2.2  2.0 ! A.1069 at 6.16e+05
assign (resid  10 and name   HA ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.949  at 1.69e+06
assign (resid  10 and name  HB2 ) (resid  13 and name HD21 )  4.0  2.2  1.0 ! A.1451 at 1.22e+06
assign (resid  10 and name   HG ) (resid  13 and name HD21 )  4.0  2.2  1.0 ! A.1453 at 9.83e+05
assign (resid  10 and name   HN ) (resid  36 and name  HB# )  3.5  1.2  1.0 ! A.182  at 4.18e+06

! N11
assign (resid  11 and name  HB2 ) (resid  11 and name   HN )  4.5  2.2  2.0 ! A.1171 at 3.02e+05
assign (resid  11 and name  HB1 ) (resid  11 and name   HN )  2.5  0.7  0.4 ! A.1170 at 8.09e+06
assign (resid  11 and name HD21 ) (resid  11 and name   HN )  4.0  2.2  1.0 ! A.1166 at 1.01e+06
assign (resid  11 and name  HB2 ) (resid  11 and name HD21 )  4.5  2.2  2.0 ! A.1584 at 3.73e+05
assign (resid  11 and name   HA ) (resid  11 and name HD21 )  4.5  2.2  2.0 ! A.1575 at 1.70e+05
assign (resid  11 and name   HA ) (resid  11 and name HD22 )  4.5  2.2  2.0 ! A.1576 at 4.02e+05
assign (resid  11 and name  HB1 ) (resid  11 and name HD21 )  3.5  1.2  0.5 ! A.1581 at 4.25e+06
assign (resid  11 and name  HB2 ) (resid  11 and name HD22 )  4.5  2.2  2.0 ! A.1582 at 3.13e+05
assign (resid  11 and name HD22 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.1571 at 2.88e+05
assign (resid  11 and name   HN ) (resid  12 and name   HN )  3.5  1.2  0.5 ! A.1164 at 4.29e+06
assign (resid  11 and name HD21 ) (resid  12 and name   HN )  4.5  2.2  2.0 ! A.1570 at 2.65e+05
assign (resid  11 and name HD21 ) (resid  12 and name   HA )  4.5  2.2  2.0 ! A.1577 at 3.95e+05
assign (resid  11 and name   HN ) (resid  13 and name  HB2 )  4.0  2.2  1.0 ! A.1155 at 1.05e+06
assign (resid  11 and name   HN ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.1165 at 1.17e+06
assign (resid  11 and name   HA ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.187  at 1.46e+06
assign (resid  11 and name HD21 ) (resid  14 and name HD1# )  3.5  1.2  1.0 ! A.1587 at 1.98e+06
assign (resid  11 and name HD22 ) (resid  14 and name HD1# )  4.0  2.2  1.5 ! A.1588 at 1.35e+06
assign (resid  11 and name HD22 ) (resid  14 and name  HB2 )  4.5  2.2  2.0 ! A.1586 at 1.85e+05
assign (resid  11 and name HD21 ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.767  at 5.78e+05
assign (resid  11 and name HD22 ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.1574 at 3.69e+05
assign (resid  11 and name HD22 ) (resid  95 and name  HE1 )  3.5  1.2  0.5 ! A.1580 at 2.89e+06

! D12
assign (resid  12 and name  HB2 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.471  at 6.30e+06
assign (resid  12 and name  HB1 ) (resid  12 and name   HN )  2.5  0.7  0.4 ! A.470  at 1.38e+07
assign (resid  12 and name   HN ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.1056 at 3.78e+06
assign (resid  12 and name  HB1 ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.1062 at 2.70e+06
assign (resid  12 and name   HN ) (resid  14 and name   HN )  4.5  2.2  2.0 ! A.184  at 4.56e+05
assign (resid  12 and name   HN ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.766  at 2.73e+05

! N13
assign (resid  13 and name HD22 ) (resid  13 and name   HN )  4.0  2.2  1.0 ! A.1059 at 1.07e+06
assign (resid  13 and name HD21 ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.1058 at 3.03e+06
assign (resid  13 and name  HB1 ) (resid  13 and name   HN )  2.5  0.7  0.4 ! A.1064 at 7.27e+06
assign (resid  13 and name  HB2 ) (resid  13 and name   HN )  3.5  1.2  0.5 ! A.1066 at 3.79e+06
assign (resid  13 and name   HA ) (resid  13 and name HD21 )  4.5  2.2  2.0 ! A.1440 at 2.28e+05
assign (resid  13 and name  HB1 ) (resid  13 and name HD22 )  3.5  1.2  0.5 ! A.1447 at 2.52e+06
assign (resid  13 and name   HA ) (resid  13 and name HD22 )  4.5  2.2  2.0 ! A.1441 at 4.06e+05
assign (resid  13 and name  HB2 ) (resid  13 and name HD21 )  3.5  1.2  0.5 ! A.1446 at 3.39e+06
assign (resid  13 and name  HB2 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.192  at 8.84e+05
assign (resid  13 and name  HB1 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.191  at 1.27e+06
assign (resid  13 and name  HB1 ) (resid  16 and name   HN )  4.5  2.2  2.0 ! A.744  at 3.24e+05
assign (resid  13 and name   HA ) (resid  16 and name   HN )  3.5  1.2  0.5 ! A.738  at 2.80e+06
assign (resid  13 and name  HB1 ) (resid  17 and name   HN )  4.5  2.2  2.0 ! A.700  at 4.93e+05
assign (resid  13 and name  HB1 ) (resid  30 and name   HN )  4.5  2.2  2.0 ! A.850  at 2.73e+05
assign (resid  13 and name HD22 ) (resid  31 and name   HN )  4.5  2.2  2.0 ! A.1148 at 1.70e+05
assign (resid  13 and name HD21 ) (resid  32 and name  HB2 )  4.5  2.2  2.0 ! A.1452 at 3.70e+05
assign (resid  13 and name HD22 ) (resid  32 and name  HB1 )  3.5  1.2  0.5 ! A.1421 at 1.67e+06
assign (resid  13 and name HD22 ) (resid  32 and name  HB2 )  3.5  1.2  0.5 ! A.1423 at 2.60e+06
assign (resid  13 and name HD22 ) (resid  32 and name   HA )  4.0  2.2  1.0 ! A.1409 at 1.33e+06
assign (resid  13 and name  HB2 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.725  at 2.26e+05
assign (resid  13 and name  HB1 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.724  at 2.57e+05
assign (resid  13 and name HD21 ) (resid  33 and name   HA )  4.5  2.2  2.0 ! A.1444 at 1.76e+05
assign (resid  13 and name HD22 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.720  at 3.88e+05
assign (resid  13 and name HD21 ) (resid  33 and name   HN )  3.5  1.2  0.5 ! A.709  at 1.81e+06
assign (resid  13 and name HD21 ) (resid  33 and name  HB2 )  4.5  2.2  2.0 ! A.1450 at 3.91e+05
assign (resid  13 and name HD22 ) (resid  33 and name  HB1 )  4.0  2.2  1.0 ! A.1449 at 1.18e+06
assign (resid  13 and name HD21 ) (resid  33 and name  HG1 )  3.5  1.2  0.5 ! A.1448 at 3.72e+06
assign (resid  13 and name HD22 ) (resid  34 and name   HN )  4.0  2.2  1.0 ! A.449  at 1.04e+06
assign (resid  13 and name HD22 ) (resid  35 and name  HB# )  4.5  2.2  2.5 ! A.1425 at 6.97e+05
assign (resid  13 and name HD22 ) (resid  36 and name   HN )  3.5  1.2  0.5 ! A.426  at 4.34e+06
assign (resid  13 and name HD21 ) (resid  37 and name   HN )  4.5  2.2  2.0 ! A.1432 at 1.62e+05

! L14
assign (resid  14 and name  HB1 ) (resid  14 and name   HN )  4.0  2.2  1.0 ! A.194  at 1.00e+06
assign (resid  14 and name HD1# ) (resid  14 and name   HN )  2.5  0.7  0.9 ! A.199  at 5.24e+06
assign (resid  14 and name  HB# ) (resid  14 and name   HN )  2.5  0.7  0.9 ! A.195  at 5.82e+06
assign (resid  14 and name   HG ) (resid  14 and name   HN )  2.5  0.7  0.4 ! A.197  at 6.07e+06
assign (resid  14 and name   HN ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.186  at 7.24e+06
assign (resid  14 and name   HA ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.695  at 1.40e+06
assign (resid  14 and name HD2# ) (resid  95 and name   HN )  2.5  0.7  0.9 ! A.802  at 5.45e+06

! K15
assign (resid  15 and name  HB1 ) (resid  15 and name   HN )  2.5  0.7  0.4 ! A.771  at 1.73e+07
assign (resid  15 and name  HE1 ) (resid  15 and name   HN )  4.5  2.2  2.0 ! A.770  at 3.96e+05
assign (resid  15 and name  HG1 ) (resid  15 and name   HN )  4.0  2.2  1.0 ! A.772  at 1.14e+06
assign (resid  15 and name  HG2 ) (resid  16 and name   HN )  4.5  2.2  2.0 ! A.749  at 3.24e+05
assign (resid  15 and name  HE1 ) (resid  16 and name   HN )  4.5  2.2  2.0 ! A.742  at 3.01e+05
assign (resid  15 and name  HG2 ) (resid  17 and name   HN )  4.0  2.2  1.0 ! A.704  at 1.18e+06
assign (resid  15 and name   HA ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.791  at 1.26e+06

! V16
assign (resid  16 and name HG2# ) (resid  16 and name   HN )  4.5  2.2  2.5 ! A.752  at 4.39e+05
assign (resid  16 and name   HB ) (resid  16 and name   HN )  3.5  1.2  0.5 ! A.746  at 4.33e+06
assign (resid  16 and name HG1# ) (resid  16 and name   HN )  4.0  2.2  1.5 ! A.750  at 1.31e+06
assign (resid  16 and name   HN ) (resid  17 and name   HA )  4.5  2.2  2.0 ! A.741  at 2.83e+05
assign (resid  16 and name   HN ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.736  at 1.09e+07
assign (resid  16 and name   HA ) (resid  18 and name   HN )  4.5  2.2  2.0 ! A.951  at 1.76e+05
assign (resid  16 and name   HA ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1274 at 6.58e+05

! I17
assign (resid  17 and name   HB ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.702  at 1.40e+07
assign (resid  17 and name HG12 ) (resid  17 and name   HN )  2.5  0.7  0.4 ! A.705  at 1.15e+07
assign (resid  17 and name   HA ) (resid  18 and name   HN )  4.5  2.2  2.0 ! A.952  at 5.49e+05
assign (resid  17 and name HG11 ) (resid  18 and name   HN )  3.5  1.2  0.5 ! A.801  at 1.80e+06
assign (resid  17 and name HG2# ) (resid  18 and name   HN )  3.5  1.2  1.0 ! A.956  at 1.71e+06
assign (resid  17 and name HG11 ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.1283 at 1.06e+06
assign (resid  17 and name   HA ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1275 at 2.05e+05
assign (resid  17 and name HG2# ) (resid  19 and name   HN )  4.5  2.2  2.5 ! A.1284 at 3.15e+05
assign (resid  17 and name   HA ) (resid  20 and name   HN )  3.5  1.2  0.5 ! A.99   at 1.69e+06
assign (resid  17 and name HG12 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.109  at 2.99e+05
!assign (resid  17 and name   HA ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.1204 at 2.32e+05
!assign (resid  17 and name   HA ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.1463 at 1.05e+05
!assign (resid  17 and name HG12 ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.922  at 3.94e+05
!assign (resid  17 and name   HN ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.697  at 2.17e+05
!assign (resid  17 and name   HN ) (resid  29 and name   HA )  4.5  2.2  2.0 ! A.694  at 2.03e+05
!assign (resid  17 and name HG11 ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.977  at 2.86e+05
assign (resid  17 and name   HN ) (resid  29 and name  HB# )  3.5  1.2  1.0 ! A.703  at 4.03e+06
assign (resid  17 and name HG12 ) (resid  29 and name   HN )  4.0  2.2  1.0 ! A.978  at 8.22e+05
assign (resid  17 and name HG2# ) (resid  88 and name   HN )  3.5  1.2  1.0 ! A.1120 at 1.83e+06
assign (resid  17 and name HG2# ) (resid  88 and name HE21 )  4.5  2.2  2.5 ! A.1363 at 8.00e+05
assign (resid  17 and name HG2# ) (resid  89 and name   HN )  4.0  2.2  1.5 ! A.154  at 1.13e+06

! E18
assign (resid  18 and name  HB2 ) (resid  18 and name   HN )  4.5  2.2  2.0 ! A.954  at 3.43e+05
assign (resid  18 and name  HB1 ) (resid  18 and name   HN )  4.0  2.2  1.0 ! A.796  at 1.26e+06
assign (resid  18 and name  HG1 ) (resid  18 and name   HN )  2.5  0.7  0.4 ! A.953  at 9.04e+06
assign (resid  18 and name   HA ) (resid  19 and name   HN )  4.0  2.2  1.0 ! A.1273 at 1.17e+06
assign (resid  18 and name  HG1 ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1277 at 3.06e+05
assign (resid  18 and name   HN ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.1269 at 5.10e+06
assign (resid  18 and name  HG2 ) (resid  19 and name   HN )  3.5  1.2  0.5 ! A.1278 at 1.98e+06
assign (resid  18 and name   HA ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.97   at 1.93e+05
assign (resid  18 and name  HG2 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.102  at 3.58e+05
assign (resid  18 and name   HN ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.90   at 2.72e+05
assign (resid  18 and name   HA ) (resid  88 and name HE22 )  4.0  2.2  1.0 ! A.1375 at 1.22e+06
assign (resid  18 and name   HN ) (resid  88 and name  HG1 )  4.0  1.2  1.0 ! A.795  at 1.78e+06 C
assign (resid  18 and name   HA ) (resid  88 and name HE21 )  3.5  1.2  0.5 ! A.1289 at 2.32e+06
assign (resid  18 and name   HN ) (resid  91 and name  HB# )  4.0  2.2  1.5 ! A.955  at 1.09e+06

! K19
assign (resid  19 and name  HE1 ) (resid  19 and name   HN )  4.5  2.2  2.0 ! A.1276 at 3.26e+05
assign (resid  19 and name  HB1 ) (resid  19 and name   HN )  3.5  1.2  0.5 ! A.1280 at 3.44e+06
assign (resid  19 and name  HG1 ) (resid  19 and name   HN )  3.5  1.2  0.7 ! A.1282 at 7.98e+06 C
assign (resid  19 and name  HD1 ) (resid  19 and name   HN )  2.5  0.7  0.4 ! A.1281 at 7.58e+06
assign (resid  19 and name  HB1 ) (resid  20 and name   HN )  3.5  1.2  0.5 ! A.103  at 2.04e+06
assign (resid  19 and name   HA ) (resid  20 and name   HN )  3.5  1.2  0.5 ! A.95   at 2.89e+06
assign (resid  19 and name  HG1 ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.105  at 4.57e+05
assign (resid  19 and name   HN ) (resid  20 and name   HN )  4.5  2.2  2.0 ! A.93   at 5.80e+05
assign (resid  19 and name   HN ) (resid  20 and name   HA )  4.5  2.2  2.0 ! A.1272 at 7.39e+05
assign (resid  19 and name   HN ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.1268 at 1.29e+05
assign (resid  19 and name   HA ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.1202 at 6.22e+05

! A20
assign (resid  20 and name  HB# ) (resid  20 and name   HN )  2.5  0.7  0.9 ! A.107  at 2.16e+07
assign (resid  20 and name   HN ) (resid  21 and name   HN )  4.5  2.2  2.0 ! A.1196 at 7.17e+05
assign (resid  20 and name   HN ) (resid  21 and name  HB2 )  4.5  2.2  2.0 ! A.100  at 2.11e+05
assign (resid  20 and name   HA ) (resid  21 and name   HN )  3.0  0.7  0.4 ! A.1203 at 1.85e+07
assign (resid  20 and name  HB# ) (resid  21 and name   HN )  2.5  0.7  0.9 ! A.1208 at 6.63e+06
assign (resid  20 and name   HN ) (resid  22 and name   HN )  4.0  2.2  1.0 ! A.91   at 9.47e+05
assign (resid  20 and name   HA ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1256 at 1.79e+05
assign (resid  20 and name  HB# ) (resid  22 and name   HN )  2.5  0.7  0.9 ! A.1454 at 1.04e+07
assign (resid  20 and name   HA ) (resid  22 and name   HN )  4.0  1.2  1.0 ! A.1443 at 2.22e+06
!assign (resid  20 and name   HA ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1612 at 3.00e+05
assign (resid  20 and name  HB# ) (resid  26 and name   HN )  3.5  1.2  1.0 ! A.918  at 4.01e+06
!assign (resid  20 and name   HN ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.89   at 3.16e+05
!assign (resid  20 and name   HN ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1371 at 2.18e+05

! D21
assign (resid  21 and name  HB2 ) (resid  21 and name   HN )  3.5  1.2  0.5 ! A.1206 at 2.20e+06
assign (resid  21 and name  HB1 ) (resid  21 and name   HN )  3.5  1.2  0.5 ! A.1205 at 2.83e+06
assign (resid  21 and name   HN ) (resid  22 and name   HA )  4.5  2.2  2.0 ! A.1200 at 1.47e+05
assign (resid  21 and name   HN ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1245 at 2.42e+05
assign (resid  21 and name  HB2 ) (resid  22 and name HD21 )  4.0  2.2  1.0 ! A.1260 at 1.49e+06
assign (resid  21 and name  HB2 ) (resid  22 and name HD22 )  3.5  1.2  0.5 ! A.1261 at 2.11e+06
assign (resid  21 and name   HA ) (resid  22 and name HD21 )  4.5  2.2  2.0 ! A.1254 at 3.36e+05
assign (resid  21 and name   HN ) (resid  22 and name   HN )  2.5  0.7  0.4 ! A.1195 at 9.81e+06
!assign (resid  21 and name   HN ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1604 at 2.43e+05
assign (resid  21 and name  HB2 ) (resid  25 and name HE22 )  3.5  1.2  0.5 ! A.1617 at 2.38e+06
assign (resid  21 and name  HB2 ) (resid  25 and name HE21 )  3.5  1.2  0.5 ! A.1616 at 3.48e+06
!assign (resid  21 and name   HA ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1610 at 2.86e+05
!assign (resid  21 and name   HN ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1365 at 4.30e+05
!assign (resid  21 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1373 at 4.99e+05

! N22
assign (resid  22 and name  HB2 ) (resid  22 and name HD22 )  3.5  1.2  0.5 ! A.1259 at 3.89e+06
assign (resid  22 and name  HB1 ) (resid  22 and name HD22 )  4.5  2.2  2.0 ! A.1258 at 2.32e+05
assign (resid  22 and name HD22 ) (resid  22 and name   HN )  4.5  2.2  2.0 ! A.1461 at 5.93e+05
assign (resid  22 and name  HB2 ) (resid  22 and name HD21 )  2.5  0.7  0.4 ! A.1257 at 6.37e+06
assign (resid  22 and name  HB2 ) (resid  22 and name   HN )  3.5  1.2  0.5 ! A.1464 at 4.48e+06
assign (resid  22 and name  HB1 ) (resid  23 and name   HN )  2.5  0.7  0.4 ! A.284  at 1.08e+07
assign (resid  22 and name   HA ) (resid  23 and name   HN )  3.0  0.7  0.4 ! A.280  at 1.67e+07
assign (resid  22 and name HD21 ) (resid  23 and name   HN )  4.0  2.2  1.0 ! A.1244 at 8.91e+05
assign (resid  22 and name   HN ) (resid  23 and name   HN )  4.5  2.2  2.0 ! A.1458 at 1.24e+05
assign (resid  22 and name  HB2 ) (resid  24 and name   HN )  3.5  1.2  0.5 ! A.225  at 3.62e+06
assign (resid  22 and name   HA ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.220  at 5.46e+05
assign (resid  22 and name HD21 ) (resid  24 and name   HN )  4.5  2.2  2.0 ! A.1246 at 3.74e+05
assign (resid  22 and name HD21 ) (resid  24 and name  HB# )  4.0  2.2  1.5 ! A.1267 at 1.21e+06
assign (resid  22 and name  HB2 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1037 at 4.32e+05
assign (resid  22 and name HD22 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1248 at 3.07e+05
assign (resid  22 and name   HA ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1032 at 3.90e+05
assign (resid  22 and name  HB1 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1036 at 2.70e+05
assign (resid  22 and name HD21 ) (resid  25 and name  HB1 )  4.5  2.2  2.0 ! A.1266 at 6.77e+05
assign (resid  22 and name HD22 ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1609 at 4.69e+05
assign (resid  22 and name HD22 ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1251 at 2.51e+05
assign (resid  22 and name HD21 ) (resid  25 and name  HG1 )  4.0  2.2  1.0 ! A.1262 at 1.18e+06
assign (resid  22 and name HD22 ) (resid  25 and name  HG1 )  3.5  1.2  0.5 ! A.1263 at 1.99e+06
assign (resid  22 and name HD22 ) (resid  25 and name  HG2 )  4.5  2.2  2.0 ! A.1265 at 1.91e+05
assign (resid  22 and name HD21 ) (resid  25 and name  HG2 )  4.5  2.2  2.0 ! A.1264 at 2.69e+05
assign (resid  22 and name HD21 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1247 at 3.36e+05
assign (resid  22 and name   HN ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.1029 at 1.01e+06
assign (resid  22 and name   HN ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1592 at 3.08e+05
assign (resid  22 and name   HN ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1606 at 4.35e+05
assign (resid  22 and name   HN ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.1457 at 1.46e+06
!assign (resid  22 and name   HN ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1370 at 2.37e+05

! A23
assign (resid  23 and name  HB# ) (resid  23 and name   HN )  2.5  0.7  0.9 ! A.287  at 1.96e+07
assign (resid  23 and name   HN ) (resid  24 and name   HN )  3.0  0.7  0.6 ! A.278  at 5.20e+06 C
assign (resid  23 and name   HA ) (resid  24 and name   HN )  3.5  1.2  0.5 ! A.223  at 1.67e+06
assign (resid  23 and name   HN ) (resid  24 and name   HA )  4.5  2.2  2.0 ! A.281  at 3.70e+05
assign (resid  23 and name   HN ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1025 at 1.85e+05
assign (resid  23 and name   HA ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1034 at 3.99e+05
assign (resid  23 and name   HN ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.901  at 1.35e+05
assign (resid  23 and name   HA ) (resid  26 and name   HN )  3.5  1.2  0.5 ! A.908  at 2.66e+06
assign (resid  23 and name  HB# ) (resid  82 and name   HN )  4.5  2.2  2.5 ! A.1710 at 3.56e+05
assign (resid  23 and name   HN ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.283  at 1.89e+05
assign (resid  23 and name   HN ) (resid  84 and name HG2# )  3.5  1.2  1.0 ! A.289  at 1.74e+06
assign (resid  23 and name   HN ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.288  at 1.41e+06
assign (resid  23 and name   HN ) (resid  84 and name   HB )  4.5  2.2  2.0 ! A.285  at 4.32e+05
assign (resid  23 and name  HB# ) (resid  84 and name   HN )  4.5  2.2  2.5 ! A.255  at 7.19e+05

! A24
assign (resid  24 and name  HB# ) (resid  24 and name   HN )  2.5  0.7  0.9 ! A.229  at 3.20e+07
assign (resid  24 and name   HN ) (resid  25 and name  HG1 )  4.0  2.2  1.0 ! A.227  at 9.29e+05
assign (resid  24 and name   HN ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.1027 at 7.19e+06
assign (resid  24 and name  HB# ) (resid  25 and name HE21 )  4.5  2.2  2.5 ! A.1623 at 1.59e+05
assign (resid  24 and name  HB# ) (resid  25 and name   HN )  2.5  0.7  0.9 ! A.942  at 1.18e+07
assign (resid  24 and name   HN ) (resid  26 and name HG2# )  4.0  2.2  1.5 ! A.230  at 9.63e+05
assign (resid  24 and name   HN ) (resid  26 and name   HN )  4.5  2.2  2.0 ! A.903  at 2.28e+05
assign (resid  24 and name   HN ) (resid  27 and name  HD1 )  4.5  2.2  2.0 ! A.228  at 5.15e+05
assign (resid  24 and name   HN ) (resid  27 and name  HE2 )  4.5  2.2  2.0 ! A.226  at 3.83e+05
assign (resid  24 and name   HA ) (resid  27 and name   HN )  3.5  1.2  0.5 ! A.602  at 2.74e+06
assign (resid  24 and name   HA ) (resid  80 and name HD22 )  4.5  2.2  1.5 ! A.1631 at 8.31e+05 C
assign (resid  24 and name   HN ) (resid  82 and name  HA2 )  4.5  2.2  2.0 ! A.224  at 2.69e+05
assign (resid  24 and name   HN ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.231  at 3.25e+05

! Q25
assign (resid  25 and name  HB# ) (resid  25 and name   HN )  3.5  1.2  1.0 ! A.1041 at 3.39e+06
assign (resid  25 and name  HG2 ) (resid  25 and name   HN )  4.0  2.2  1.0 ! A.1040 at 1.03e+06
assign (resid  25 and name HE22 ) (resid  25 and name   HN )  4.5  2.2  2.0 ! A.1030 at 1.29e+05
assign (resid  25 and name  HG1 ) (resid  25 and name HE22 )  3.5  1.2  0.5 ! A.1619 at 3.12e+06
assign (resid  25 and name  HB1 ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1621 at 7.51e+05
assign (resid  25 and name   HN ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1605 at 2.08e+05
assign (resid  25 and name  HB1 ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1622 at 4.83e+05
assign (resid  25 and name   HA ) (resid  25 and name HE21 )  4.5  2.2  2.0 ! A.1611 at 4.19e+05
assign (resid  25 and name  HG2 ) (resid  25 and name HE22 )  4.5  2.2  2.0 ! A.1620 at 3.51e+05
assign (resid  25 and name  HG1 ) (resid  25 and name   HN )  2.5  0.7  0.4 ! A.936  at 1.47e+07
assign (resid  25 and name  HG1 ) (resid  25 and name HE21 )  2.5  0.7  0.4 ! A.1618 at 5.97e+06
assign (resid  25 and name  HG1 ) (resid  26 and name   HN )  3.5  1.2  0.5 ! A.913  at 4.06e+06
assign (resid  25 and name   HN ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.928  at 6.99e+06
assign (resid  25 and name   HN ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.1042 at 6.86e+05
assign (resid  25 and name   HN ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.1035 at 2.00e+05
assign (resid  25 and name  HB1 ) (resid  26 and name   HN )  3.5  1.2  0.5 ! A.916  at 1.54e+06
assign (resid  25 and name   HA ) (resid  26 and name   HN )  4.0  2.2  1.0 ! A.907  at 1.34e+06
assign (resid  25 and name   HN ) (resid  27 and name   HN )  4.5  2.2  2.0 ! A.1026 at 2.29e+05
assign (resid  25 and name   HA ) (resid  28 and name   HN )  3.5  1.2  0.5 ! A.484  at 2.85e+06
assign (resid  25 and name   HN ) (resid  28 and name  HB1 )  4.5  2.2  2.0 ! A.1038 at 2.69e+05
assign (resid  25 and name   HN ) (resid  28 and name  HB2 )  4.0  2.2  1.0 ! A.1039 at 1.01e+06

! V26
assign (resid  26 and name HG2# ) (resid  26 and name   HN )  3.5  1.2  1.0 ! A.923  at 3.97e+06
assign (resid  26 and name HG1# ) (resid  26 and name   HN )  3.5  1.2  1.0 ! A.921  at 3.98e+06
assign (resid  26 and name   HB ) (resid  26 and name   HN )  2.5  0.7  0.4 ! A.915  at 9.35e+06
assign (resid  26 and name   HN ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.902  at 6.21e+06
assign (resid  26 and name   HN ) (resid  27 and name  HE2 )  4.5  2.2  2.0 ! A.912  at 3.73e+05
assign (resid  26 and name   HN ) (resid  27 and name  HG1 )  4.5  2.2  2.0 ! A.917  at 1.57e+05
assign (resid  26 and name   HN ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.904  at 2.18e+05
assign (resid  26 and name   HB ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.488  at 4.03e+05
assign (resid  26 and name   HN ) (resid  28 and name  HB2 )  4.5  2.2  2.0 ! A.911  at 4.33e+05
assign (resid  26 and name   HN ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.966  at 1.17e+05
assign (resid  26 and name   HA ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.970  at 3.11e+05
assign (resid  26 and name   HA ) (resid  30 and name   HN )  4.5  2.2  2.0 ! A.848  at 4.02e+05
assign (resid  26 and name   HN ) (resid  79 and name  HB# )  4.5  2.2  2.5 ! A.919  at 3.92e+05
assign (resid  26 and name   HB ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.783  at 5.53e+05
assign (resid  26 and name   HN ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.910  at 1.98e+05
assign (resid  26 and name HG1# ) (resid  87 and name   HN )  4.5  2.2  2.5 ! A.17   at 3.67e+05
assign (resid  26 and name HG2# ) (resid  88 and name HE22 )  4.5  2.2  2.5 ! A.1391 at 4.56e+05

! K27
assign (resid  27 and name  HE2 ) (resid  27 and name   HN )  3.5  1.2  0.5 ! A.605  at 2.94e+06
assign (resid  27 and name  HG1 ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.609  at 6.20e+06
assign (resid  27 and name  HD1 ) (resid  27 and name   HN )  2.5  0.7  0.4 ! A.608  at 1.17e+07
assign (resid  27 and name  HB# ) (resid  27 and name   HN )  2.5  0.7  0.9 ! A.607  at 6.79e+06
assign (resid  27 and name  HG1 ) (resid  28 and name   HN )  4.0  2.2  1.0 ! A.491  at 1.28e+06
assign (resid  27 and name  HD1 ) (resid  28 and name   HN )  3.0  0.7  0.6 ! A.490  at 4.72e+06 C
assign (resid  27 and name  HB# ) (resid  28 and name   HN )  2.5  0.7  0.9 ! A.489  at 6.62e+06
assign (resid  27 and name   HN ) (resid  28 and name   HN )  2.5  0.7  0.4 ! A.597  at 4.56e+06
assign (resid  27 and name   HA ) (resid  28 and name   HN )  3.5  1.2  0.5 ! A.485  at 1.56e+06
assign (resid  27 and name  HE1 ) (resid  28 and name   HN )  4.5  2.2  2.0 ! A.486  at 5.23e+05
assign (resid  27 and name   HN ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.963  at 2.60e+05
assign (resid  27 and name   HA ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.847  at 2.02e+06
assign (resid  27 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.598  at 6.37e+05
assign (resid  27 and name   HA ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1632 at 2.48e+05
assign (resid  27 and name  HB1 ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1639 at 2.61e+05
assign (resid  27 and name  HE2 ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1637 at 1.69e+05
assign (resid  27 and name  HB2 ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1640 at 9.67e+04
assign (resid  27 and name  HE2 ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1638 at 3.51e+05
assign (resid  27 and name  HG1 ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.786  at 1.18e+06
assign (resid  27 and name   HA ) (resid  80 and name   HN )  4.0  2.2  1.0 ! A.781  at 1.10e+06
assign (resid  27 and name  HD1 ) (resid  80 and name HD21 )  3.5  1.2  0.5 ! A.1641 at 1.94e+06
assign (resid  27 and name  HG1 ) (resid  80 and name HD22 )  4.0  1.2  0.5 ! A.1642 at 1.94e+06

! D28
assign (resid  28 and name  HB# ) (resid  28 and name   HN )  2.5  0.7  0.9 ! A.487  at 1.39e+07
assign (resid  28 and name   HN ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.964  at 5.00e+05
assign (resid  28 and name   HN ) (resid  29 and name   HA )  4.5  2.2  2.0 ! A.483  at 3.90e+05
assign (resid  28 and name  HB2 ) (resid  29 and name   HN )  4.5  2.2  2.0 ! A.971  at 3.94e+05
assign (resid  28 and name  HB1 ) (resid  30 and name   HN )  4.5  2.2  2.0 ! A.849  at 3.34e+05
assign (resid  28 and name   HN ) (resid  30 and name   HN )  4.5  2.2  2.0 ! A.842  at 5.97e+05
assign (resid  28 and name   HN ) (resid  31 and name   HB )  4.5  2.2  2.0 ! A.481  at 3.61e+05
assign (resid  28 and name   HN ) (resid  79 and name  HB# )  3.5  1.2  1.0 ! A.492  at 1.86e+06

! A29
assign (resid  29 and name  HB# ) (resid  29 and name   HN )  4.5  2.2  2.5 ! A.975  at 3.03e+05
assign (resid  29 and name   HN ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.843  at 5.31e+06
assign (resid  29 and name   HA ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.845  at 2.03e+06
assign (resid  29 and name  HB# ) (resid  31 and name   HN )  4.5  2.2  2.5 ! A.1158 at 5.63e+05
assign (resid  29 and name   HN ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.965  at 8.06e+05

! L30
assign (resid  30 and name   HG ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.857  at 6.71e+06
assign (resid  30 and name  HB1 ) (resid  30 and name   HN )  3.5  1.2  0.5 ! A.853  at 4.11e+06
assign (resid  30 and name  HB2 ) (resid  30 and name   HN )  2.5  0.7  0.4 ! A.855  at 8.21e+06
assign (resid  30 and name HD2# ) (resid  30 and name   HN )  3.5  1.2  1.0 ! A.860  at 4.10e+06
assign (resid  30 and name   HN ) (resid  31 and name   HB )  4.5  2.2  2.0 ! A.844  at 2.11e+05
assign (resid  30 and name   HN ) (resid  31 and name   HN )  3.5  1.2  0.5 ! A.1143 at 3.48e+06
assign (resid  30 and name  HB1 ) (resid  31 and name   HN )  3.5  1.2  0.5 ! A.1156 at 3.64e+06
assign (resid  30 and name HD2# ) (resid  33 and name   HN )  4.5  2.2  2.5 ! A.734  at 3.02e+05
assign (resid  30 and name   HA ) (resid  33 and name   HN )  3.5  1.2  0.5 ! A.721  at 2.32e+06
assign (resid  30 and name   HA ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.449  at 1.60e+06
assign (resid  30 and name HD1# ) (resid  75 and name   HN )  3.5  1.2  1.0 ! A.86   at 2.15e+06
assign (resid  30 and name HD1# ) (resid  79 and name   HN )  3.5  1.2  1.0 ! A.318  at 3.52e+06
assign (resid  30 and name   HN ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.858  at 1.34e+06
assign (resid  30 and name HD1# ) (resid  80 and name   HN )  4.5  2.2  2.5 ! A.788  at 6.01e+05

! T31
assign (resid  31 and name HG2# ) (resid  31 and name   HN )  3.5  1.2  1.0 ! A.1160 at 2.07e+06
assign (resid  31 and name   HB ) (resid  31 and name   HN )  2.5  0.7  0.4 ! A.1149 at 7.84e+06
assign (resid  31 and name HG2# ) (resid  32 and name   HN )  3.5  1.2  1.0 ! A.139  at 2.72e+06
assign (resid  31 and name   HA ) (resid  32 and name   HN )  4.0  2.2  1.0 ! A.161  at 9.18e+05
assign (resid  31 and name   HN ) (resid  32 and name   HN )  2.5  0.7  0.4 ! A.1146 at 4.78e+06
assign (resid  31 and name HG2# ) (resid  33 and name   HN )  4.5  2.2  2.5 ! A.732  at 2.69e+05
assign (resid  31 and name   HA ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1049 at 4.66e+05
assign (resid  31 and name   HN ) (resid  76 and name HD2# )  4.0  2.2  1.5 ! A.1163 at 1.17e+06
assign (resid  31 and name   HN ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.1161 at 2.42e+06

! K32
assign (resid  32 and name  HB1 ) (resid  32 and name   HN )  3.0  0.7  0.5 ! A.165  at 7.49e+06 C
assign (resid  32 and name  HE1 ) (resid  32 and name   HN )  4.5  2.2  2.0 ! A.163  at 5.99e+05
assign (resid  32 and name   HN ) (resid  33 and name   HN )  3.5  1.2  0.5 ! A.719  at 2.81e+06
assign (resid  32 and name   HN ) (resid  33 and name   HA )  4.5  2.2  2.0 ! A.162  at 2.91e+05
assign (resid  32 and name   HN ) (resid  33 and name  HG1 )  4.5  2.2  2.0 ! A.164  at 1.91e+05
assign (resid  32 and name  HB2 ) (resid  33 and name   HN )  4.5  2.2  2.0 ! A.729  at 7.26e+05
assign (resid  32 and name  HG1 ) (resid  33 and name   HN )  4.0  2.2  1.0 ! A.730  at 1.46e+06
assign (resid  32 and name   HN ) (resid  34 and name   HN )  4.5  2.2  2.0 ! A.447  at 6.13e+05
assign (resid  32 and name  HB2 ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1052 at 3.12e+05
assign (resid  32 and name   HN ) (resid  76 and name HD1# )  4.0  2.2  1.5 ! A.85   at 9.06e+05

! M33
assign (resid  33 and name  HE# ) (resid  33 and name   HN )  4.5  2.2  2.5 ! A.727  at 2.04e+05
assign (resid  33 and name  HG1 ) (resid  33 and name   HN )  3.0  0.7  0.6 ! A.726  at 8.21e+06  C
assign (resid  33 and name  HB2 ) (resid  33 and name   HN )  2.5  0.7  0.4 ! A.728  at 4.86e+06
assign (resid  33 and name  HG1 ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.453  at 3.14e+06
assign (resid  33 and name  HB1 ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.454  at 2.32e+06
assign (resid  33 and name   HN ) (resid  34 and name   HN )  3.5  1.2  0.5 ! A.717  at 1.98e+06
assign (resid  33 and name   HN ) (resid  35 and name   HN )  4.5  2.2  2.0 ! A.1044 at 3.19e+05
assign (resid  33 and name   HN ) (resid  35 and name  HB# )  3.5  1.2  1.0 ! A.731  at 1.69e+06
assign (resid  33 and name  HB2 ) (resid  35 and name   HN )  3.5  1.2  0.5 ! A.1051 at 1.90e+06
assign (resid  33 and name   HN ) (resid  72 and name HG2# )  4.0  2.2  1.5 ! A.735  at 8.84e+05
assign (resid  33 and name   HN ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.733  at 2.98e+06

! R34
assign (resid  34 and name  HG1 ) (resid  34 and name   HN )  3.5  1.2  1.0 ! A.456  at 1.01e+06
assign (resid  34 and name  HD1 ) (resid  34 and name   HN )  4.5  2.2  2.0 ! A.452  at 5.04e+05
assign (resid  34 and name   HN ) (resid  35 and name   HN )  2.5  0.7  0.4 ! A.1043 at 4.53e+06
assign (resid  34 and name   HA ) (resid  35 and name   HN )  4.0  2.2  1.0 ! A.1050 at 1.05e+06
assign (resid  34 and name   HN ) (resid  37 and name  HB# )  3.5  1.2  1.0 ! A.457  at 1.63e+06
assign (resid  34 and name  HB1 ) (resid  38 and name   HN )  4.5  2.2  2.0 ! A.1220 at 5.53e+05
assign (resid  34 and name   HA ) (resid  38 and name   HN )  4.5  2.2  2.0 ! A.1218 at 4.42e+05
assign (resid  34 and name   HE ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1712 at 1.91e+05
assign (resid  34 and name HH1# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.1717 at 2.62e+05
assign (resid  34 and name   HE ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.393  at 2.78e+05
assign (resid  34 and name   HE ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.19   at 3.63e+05
assign (resid  34 and name   HN ) (resid  72 and name HG2# )  3.5  1.2  1.0 ! A.459  at 2.06e+06
assign (resid  34 and name   HE ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.258  at 1.11e+05
assign (resid  34 and name HH1# ) (resid  73 and name   HN )  4.5  2.2  2.5 ! A.265  at 1.96e+05
assign (resid  34 and name   HN ) (resid  76 and name HD1# )  2.5  0.7  0.9 ! A.458  at 5.73e+06

! A35
assign (resid  35 and name  HB# ) (resid  35 and name   HN )  2.5  0.7  0.9 ! A.1054 at 1.90e+07
assign (resid  35 and name   HN ) (resid  36 and name   HN )  2.5  0.7  0.4 ! A.1045 at 6.76e+06
assign (resid  35 and name   HN ) (resid  38 and name HD1# )  3.5  1.2  1.0 ! A.1055 at 1.70e+06
assign (resid  35 and name   HN ) (resid  38 and name   HN )  4.5  2.2  2.0 ! A.1213 at 3.75e+05
assign (resid  35 and name   HA ) (resid  38 and name   HN )  4.0  2.2  1.0 ! A.1216 at 1.47e+06

! A36
assign (resid  36 and name  HB# ) (resid  36 and name   HN )  2.5  0.7  0.9 ! A.423  at 2.00e+07
assign (resid  36 and name   HN ) (resid  37 and name   HA )  4.5  2.2  2.0 ! A.430  at 3.99e+05
assign (resid  36 and name   HN ) (resid  37 and name   HN )  2.5  0.7  0.4 ! A.432  at 1.82e+07
assign (resid  36 and name   HA ) (resid  39 and name   HN )  2.5  0.7  0.4 ! A.429  at 4.63e+06

! A37
assign (resid  37 and name  HB# ) (resid  37 and name   HN )  2.5  0.7  0.9 ! A.539  at 2.35e+07
assign (resid  37 and name   HN ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.1210 at 5.06e+06
assign (resid  37 and name   HN ) (resid  39 and name   HN )  4.5  2.2  2.0 ! A.573  at 1.89e+05
assign (resid  37 and name   HN ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.532  at 5.46e+05
assign (resid  37 and name   HA ) (resid  40 and name   HN )  3.5  1.2  0.5 ! A.43   at 1.56e+06
assign (resid  37 and name   HN ) (resid  40 and name  HB# )  4.0  2.2  1.5 ! A.540  at 8.16e+05
assign (resid  37 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1482 at 1.36e+05

! L38
assign (resid  38 and name   HG ) (resid  38 and name   HN )  2.5  0.7  0.4 ! A.1223 at 9.48e+06
assign (resid  38 and name HD2# ) (resid  38 and name   HN )  4.0  2.2  1.5 ! A.1224 at 1.18e+06
assign (resid  38 and name  HB2 ) (resid  38 and name   HN )  3.0  0.7  0.6 ! A.1221 at 1.47e+07
assign (resid  38 and name   HG ) (resid  39 and name   HN )  4.5  2.2  2.0 ! A.580  at 4.52e+05
assign (resid  38 and name  HB2 ) (resid  39 and name   HN )  3.5  1.2  0.5 ! A.518  at 3.90e+06
assign (resid  38 and name   HN ) (resid  39 and name  HB1 )  4.5  2.2  2.0 ! A.1219 at 4.48e+05
assign (resid  38 and name   HN ) (resid  39 and name   HA )  4.5  2.2  2.0 ! A.1215 at 3.87e+05
assign (resid  38 and name   HA ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.42   at 2.89e+05
assign (resid  38 and name   HN ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.1225 at 4.48e+05
assign (resid  38 and name   HN ) (resid  40 and name   HN )  4.5  2.2  2.0 ! A.1211 at 4.57e+05
assign (resid  38 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1214 at 3.40e+05

! D39
assign (resid  39 and name  HB1 ) (resid  39 and name   HN )  2.5  0.7  0.4 ! A.578  at 1.36e+07
assign (resid  39 and name   HN ) (resid  40 and name   HN )  2.5  0.7  0.4 ! A.515  at 4.81e+06
assign (resid  39 and name  HB1 ) (resid  40 and name   HN )  3.0  0.7  0.4 ! A.46   at 6.52e+06 C
assign (resid  39 and name   HN ) (resid  40 and name  HB# )  3.5  1.2  1.0 ! A.581  at 1.61e+06
assign (resid  39 and name   HN ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.577  at 3.48e+05
assign (resid  39 and name   HN ) (resid  41 and name  HB1 )  4.5  2.2  2.0 ! A.579  at 2.68e+05
assign (resid  39 and name   HN ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.575  at 3.08e+05
assign (resid  39 and name  HB1 ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1492 at 2.26e+05

! A40
assign (resid  40 and name  HB# ) (resid  40 and name   HN )  2.5  0.7  0.9 ! A.50   at 1.27e+07
assign (resid  40 and name   HN ) (resid  41 and name  HB2 )  4.5  2.2  2.0 ! A.48   at 3.03e+05
assign (resid  40 and name   HN ) (resid  41 and name   HA )  4.5  2.2  2.0 ! A.45   at 1.66e+05
assign (resid  40 and name   HN ) (resid  41 and name   HN )  2.5  1.2  0.5 ! A.1483 at 3.85e+06 C
assign (resid  40 and name  HB# ) (resid  41 and name   HN )  2.5  0.7  0.9 ! A.1499 at 5.39e+06
assign (resid  40 and name   HA ) (resid  41 and name   HN )  4.5  2.2  2.0 ! A.1488 at 6.92e+05
assign (resid  40 and name  HB# ) (resid  42 and name   HN )  4.5  2.2  2.5 ! A.1314 at 7.80e+05
assign (resid  40 and name   HA ) (resid  43 and name   HN )  4.5  2.2  2.0 ! A.135  at 6.83e+05

! Q41
assign (resid  41 and name  HB1 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1517 at 5.94e+05
assign (resid  41 and name   HA ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1510 at 2.38e+05
assign (resid  41 and name  HB2 ) (resid  41 and name HE21 )  4.5  2.2  2.0 ! A.1520 at 2.62e+05
assign (resid  41 and name  HB1 ) (resid  41 and name HE22 )  4.0  1.2  0.5 ! A.1494 at 2.38e+06 C
assign (resid  41 and name  HB2 ) (resid  41 and name   HN )  2.5  0.7  0.4 ! A.1496 at 8.62e+06
assign (resid  41 and name   HA ) (resid  42 and name   HN )  4.0  2.2  1.0 ! A.1303 at 8.93e+05
assign (resid  41 and name  HG1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1305 at 2.22e+05
assign (resid  41 and name  HG2 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1306 at 2.67e+06
assign (resid  41 and name HE22 ) (resid  42 and name  HD1 )  3.5  1.2  0.5 ! A.1522 at 3.09e+06
assign (resid  41 and name HE21 ) (resid  42 and name  HG1 )  4.5  2.2  2.0 ! A.1523 at 3.75e+05
assign (resid  41 and name HE21 ) (resid  42 and name   HA )  4.5  2.2  2.0 ! A.1509 at 4.54e+05
assign (resid  41 and name HE22 ) (resid  42 and name  HE1 )  4.5  2.2  2.0 ! A.1512 at 2.14e+05
assign (resid  41 and name   HN ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1300 at 2.62e+06
assign (resid  41 and name HE22 ) (resid  42 and name  HG1 )  4.5  2.2  2.0 ! A.1497 at 7.80e+05
assign (resid  41 and name HE22 ) (resid  42 and name  HB1 )  3.5  1.2  0.5 ! A.1518 at 2.26e+06
assign (resid  41 and name HE21 ) (resid  43 and name   HN )  4.0  2.2  1.0 ! A.130  at 8.77e+05
!assign (resid  41 and name HE21 ) (resid  61 and name  HE1 )  4.5  2.2  2.0 ! A.1504 at 4.41e+05
assign (resid  41 and name HE21 ) (resid  62 and name  HG1 )  4.5  2.2  2.0 ! A.1515 at 2.75e+05
assign (resid  41 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.892  at 7.61e+05
assign (resid  41 and name  HG1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.899  at 2.98e+05
assign (resid  41 and name   HN ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.1491 at 4.75e+05
assign (resid  41 and name   HN ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.1490 at 4.46e+05
assign (resid  41 and name   HN ) (resid  65 and name  HE1 )  4.5  2.2  2.0 ! A.1485 at 3.93e+05
assign (resid  41 and name  HG2 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.900  at 3.47e+05
!assign (resid  41 and name   HN ) (resid  69 and name HG2# )  4.5  2.2  2.5 ! A.1498 at 2.57e+05

! K42
assign (resid  42 and name  HE1 ) (resid  42 and name   HN )  4.5  2.2  2.0 ! A.1304 at 2.35e+05
assign (resid  42 and name  HB2 ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.1309 at 6.22e+06
assign (resid  42 and name  HD1 ) (resid  42 and name   HN )  2.5  0.7  0.4 ! A.1311 at 6.37e+06
assign (resid  42 and name  HG1 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1313 at 2.73e+06
assign (resid  42 and name  HB1 ) (resid  42 and name   HN )  3.5  1.2  0.5 ! A.1308 at 4.24e+06
assign (resid  42 and name   HN ) (resid  43 and name   HN )  3.5  0.7  0.4 ! A.1299 at 6.47e+06 C

! A43
assign (resid  43 and name  HB# ) (resid  43 and name   HN )  2.5  0.7  0.9 ! A.138  at 1.62e+07
assign (resid  43 and name  HB# ) (resid  44 and name   HN )  2.5  0.7  0.9 ! A.1295 at 1.48e+07

! T44
assign (resid  44 and name HG2# ) (resid  44 and name   HN )  3.5  1.2  1.0 ! A.1296 at 2.89e+06
!assign (resid  44 and name HG2# ) (resid  48 and name   HN )  4.5  2.2  2.5 ! A.1082 at 5.41e+05
!assign (resid  44 and name   HB ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1075 at 3.47e+05
!assign (resid  44 and name   HA ) (resid  48 and name   HN )  4.5  2.2  2.0 ! A.1076 at 4.04e+05

! P45

! P46
assign (resid  46 and name  HD1 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1334 at 4.04e+06
assign (resid  46 and name  HG1 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1336 at 2.29e+06
assign (resid  46 and name  HG2 ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.1079 at 1.01e+06

! K47
assign (resid  47 and name  HB1 ) (resid  47 and name   HN )  3.5  1.2  0.5 ! A.1337 at 3.30e+06
assign (resid  47 and name  HG1 ) (resid  47 and name   HN )  2.5  0.7  0.4 ! A.1338 at 5.08e+06
assign (resid  47 and name  HE1 ) (resid  47 and name   HN )  4.5  2.2  2.0 ! A.1335 at 2.03e+05
assign (resid  47 and name   HN ) (resid  48 and name   HN )  3.5  1.2  0.5 ! A.1286 at 3.62e+06
assign (resid  47 and name   HA ) (resid  48 and name   HN )  4.0  2.2  1.0 ! A.984  at 1.10e+06
assign (resid  47 and name   HA ) (resid  50 and name   HN )  4.5  2.2  2.0 ! A.1186 at 1.53e+05

! L48
assign (resid  48 and name   HG ) (resid  48 and name   HN )  3.5  1.2  0.5 ! A.1081 at 3.30e+06
assign (resid  48 and name HD1# ) (resid  48 and name   HN )  4.0  2.2  1.5 ! A.1083 at 1.00e+06
assign (resid  48 and name HD2# ) (resid  48 and name   HN )  4.0  2.2  1.5 ! A.1084 at 8.30e+05
assign (resid  48 and name   HN ) (resid  49 and name   HA )  4.5  2.2  2.0 ! A.1077 at 3.16e+05
assign (resid  48 and name   HG ) (resid  50 and name   HN )  4.0  2.2  1.0 ! A.1192 at 1.05e+06
assign (resid  48 and name   HN ) (resid  50 and name   HN )  4.5  2.2  2.0 ! A.1071 at 3.27e+05
assign (resid  48 and name HD2# ) (resid  58 and name   HN )  4.5  2.2  2.5 ! A.644  at 3.09e+05
assign (resid  48 and name   HN ) (resid  61 and name  HE1 )  4.5  2.2  2.0 ! A.1072 at 4.31e+05
assign (resid  48 and name   HN ) (resid  61 and name   HZ )  4.5  2.2  2.0 ! A.1073 at 1.90e+05

! E49
assign (resid  49 and name   HA ) (resid  50 and name   HN )  2.5  0.7  0.4 ! A.1187 at 4.68e+06
assign (resid  49 and name  HG# ) (resid  50 and name   HN )  4.5  2.2  2.5 ! A.1189 at 2.43e+05

! D50
assign (resid  50 and name  HB2 ) (resid  50 and name   HN )  2.5  0.7  0.4 ! A.1188 at 7.45e+06
assign (resid  50 and name   HA ) (resid  51 and name   HN )  3.5  1.2  0.5 ! A.559  at 3.40e+06
assign (resid  50 and name   HN ) (resid  51 and name   HN )  2.5  0.7  0.4 ! A.1184 at 5.59e+06
assign (resid  50 and name  HB2 ) (resid  51 and name   HN )  4.0  2.2  1.0 ! A.565  at 8.30e+05
assign (resid  50 and name   HN ) (resid  51 and name  HG1 )  4.5  2.2  2.0 ! A.1193 at 1.03e+05
assign (resid  50 and name   HN ) (resid  51 and name  HD2 )  4.5  2.2  2.0 ! A.1191 at 4.43e+05
assign (resid  50 and name   HN ) (resid  51 and name  HD1 )  4.5  2.2  2.0 ! A.1190 at 7.30e+05

! K51
assign (resid  51 and name  HE1 ) (resid  51 and name   HN )  4.5  2.2  2.0 ! A.572  at 3.69e+05
assign (resid  51 and name  HD1 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1014 at 1.81e+06
assign (resid  51 and name  HB1 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1012 at 4.14e+06
assign (resid  51 and name   HA ) (resid  52 and name   HN )  3.0  0.7  0.5 ! A.1007 at 1.14e+07  C
assign (resid  51 and name  HG1 ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1016 at 1.33e+06
assign (resid  51 and name  HB2 ) (resid  52 and name   HN )  4.5  2.2  2.0 ! A.1013 at 1.31e+05
assign (resid  51 and name   HN ) (resid  52 and name   HN )  4.0  2.2  1.0 ! A.1005 at 1.33e+06

! S52
assign (resid  52 and name  HB1 ) (resid  52 and name   HN )  3.5  1.2  0.5 ! A.1009 at 3.76e+06
assign (resid  52 and name  HB2 ) (resid  52 and name   HN )  2.5  0.7  0.4 ! A.1010 at 5.57e+06
assign (resid  52 and name  HB1 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1345 at 5.81e+05

! P53
assign (resid  53 and name  HB1 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1349 at 7.05e+05
assign (resid  53 and name  HB2 ) (resid  54 and name   HN )  4.5  2.2  2.0 ! A.1350 at 4.09e+05
assign (resid  53 and name  HG2 ) (resid  54 and name   HN )  3.5  1.2  0.5 ! A.1351 at 2.97e+06
assign (resid  53 and name  HD1 ) (resid  54 and name   HN )  3.5  1.2  0.5 ! A.1346 at 2.54e+06
assign (resid  53 and name   HA ) (resid  54 and name   HN )  4.0  2.2  1.0 ! A.1344 at 1.39e+06
assign (resid  53 and name  HB2 ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.1182 at 4.10e+05

! D54
assign (resid  54 and name  HB1 ) (resid  54 and name   HN )  3.5  1.2  0.5 ! A.1347 at 2.43e+06
assign (resid  54 and name  HB2 ) (resid  54 and name   HN )  3.5  1.2  0.5 ! A.1348 at 3.86e+06
assign (resid  54 and name   HN ) (resid  55 and name   HN )  4.0  1.2  1.0 ! A.1341 at 2.41e+06 C
assign (resid  54 and name   HA ) (resid  55 and name   HN )  3.5  0.7  0.4 ! A.1175 at 1.02e+07 C
assign (resid  54 and name  HB1 ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.1180 at 2.20e+05
assign (resid  54 and name   HN ) (resid  55 and name   HA )  4.5  2.2  2.0 ! A.1343 at 4.22e+05

! S55
assign (resid  55 and name  HB1 ) (resid  55 and name   HN )  3.5  1.2  0.5 ! A.1177 at 4.23e+06
assign (resid  55 and name  HB2 ) (resid  55 and name   HN )  4.5  2.2  2.0 ! A.1178 at 5.33e+05
assign (resid  55 and name   HN ) (resid  56 and name  HD1 )  4.0  2.2  1.0 ! A.1179 at 1.23e+06
assign (resid  55 and name   HN ) (resid  56 and name  HB1 )  4.5  2.2  2.0 ! A.1181 at 4.67e+05
assign (resid  55 and name   HN ) (resid  56 and name  HB2 )  4.0  2.2  1.0 ! A.1067 at 1.31e+06
!assign (resid  55 and name   HN ) (resid  57 and name  HB1 )  4.5  2.2  2.0 ! A.1183 at 4.08e+05
!assign (resid  55 and name   HN ) (resid  57 and name  HB2 )  4.0  2.2  1.0 ! A.1068 at 1.25e+06

! P56
assign (resid  56 and name   HA ) (resid  58 and name   HN )  3.5  1.2  0.5 ! A.634  at 1.55e+06
assign (resid  56 and name   HA ) (resid  60 and name   HN )  4.0  1.2  0.7 ! A.380  at 2.85e+06

! E57
assign (resid  57 and name   HA ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.379  at 4.46e+05

! M58
assign (resid  58 and name  HB1 ) (resid  58 and name   HN )  3.0  0.7  0.6 ! A.641  at 7.17e+06  C
assign (resid  58 and name   HN ) (resid  59 and name   HN )  2.5  0.7  0.4 ! A.630  at 4.69e+06
assign (resid  58 and name   HN ) (resid  60 and name  HB1 )  4.5  2.2  2.0 ! A.636  at 3.26e+05
assign (resid  58 and name   HA ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.295  at 1.38e+06
assign (resid  58 and name   HN ) (resid  61 and name   HN )  4.5  2.2  2.0 ! A.292  at 2.76e+05

! K59
assign (resid  59 and name  HB# ) (resid  60 and name   HN )  2.5  0.7  0.9 ! A.314  at 6.94e+06
assign (resid  59 and name   HN ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.431  at 4.65e+06
assign (resid  59 and name  HG1 ) (resid  60 and name   HN )  4.5  2.2  2.0 ! A.389  at 5.76e+05
assign (resid  59 and name  HB1 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.305  at 9.41e+05
assign (resid  59 and name   HA ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.1130 at 2.44e+06
assign (resid  59 and name  HG1 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.659  at 4.62e+05
assign (resid  59 and name  HE1 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.654  at 8.21e+05
assign (resid  59 and name   HA ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.650  at 7.80e+05
assign (resid  59 and name  HD2 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.626  at 3.99e+05
assign (resid  59 and name  HD1 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1692 at 3.01e+05

! D60
assign (resid  60 and name  HB2 ) (resid  60 and name   HN )  2.5  0.7  0.4 ! A.385  at 9.70e+06
assign (resid  60 and name  HB# ) (resid  61 and name   HN )  3.5  1.2  1.0 ! A.301  at 2.88e+06
assign (resid  60 and name   HN ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.386  at 2.34e+05
assign (resid  60 and name   HN ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.384  at 4.84e+05
assign (resid  60 and name   HN ) (resid  63 and name  HB1 )  4.5  2.2  2.0 ! A.383  at 3.89e+05
assign (resid  60 and name   HN ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.375  at 5.80e+05
assign (resid  60 and name   HA ) (resid  64 and name   HN )  4.0  2.2  1.0 ! A.1683 at 1.01e+06

! F61
assign (resid  61 and name  HD1 ) (resid  61 and name   HN )  4.0  2.2  1.0 ! A.294  at 1.50e+06
assign (resid  61 and name  HB2 ) (resid  61 and name   HN )  2.5  0.7  0.4 ! A.303  at 5.18e+06
assign (resid  61 and name   HN ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.1123 at 4.02e+06
assign (resid  61 and name   HN ) (resid  62 and name  HD2 )  3.0  0.7  0.5 ! A.300  at 5.32e+06
assign (resid  61 and name  HD1 ) (resid  62 and name   HN )  4.0  1.2  1.0 ! A.1128 at 1.53e+06
assign (resid  61 and name   HN ) (resid  63 and name  HB1 )  4.5  2.2  2.0 ! A.298  at 3.10e+05
assign (resid  61 and name   HN ) (resid  63 and name  HB2 )  4.5  2.2  2.0 ! A.299  at 2.44e+05
assign (resid  61 and name   HA ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1684 at 4.97e+05
assign (resid  61 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.293  at 3.63e+05
assign (resid  61 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.888  at 1.24e+05

! R62
assign (resid  62 and name   HE ) (resid  62 and name   HN )  4.5  2.2  2.0 ! A.1125 at 3.62e+05
assign (resid  62 and name   HB ) (resid  62 and name   HN )  3.5  1.2  0.5 ! A.1141 at 3.15e+06
assign (resid  62 and name  HD2 ) (resid  62 and name   HN )  2.5  0.7  0.4 ! A.1134 at 4.72e+06
assign (resid  62 and name  HG1 ) (resid  62 and name   HN )  2.5  0.7  0.4 ! A.1139 at 4.96e+06
assign (resid  62 and name  HD1 ) (resid  62 and name   HN )  4.5  2.2  2.0 ! A.1133 at 2.84e+05
assign (resid  62 and name  HG1 ) (resid  63 and name   HN )  4.0  2.2  1.0 ! A.657  at 8.85e+05
assign (resid  62 and name   HN ) (resid  63 and name   HN )  3.5  1.2  0.5 ! A.613  at 3.63e+06
assign (resid  62 and name  HB1 ) (resid  63 and name   HN )  3.5  1.2  0.5 ! A.622  at 3.01e+06
assign (resid  62 and name   HN ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1124 at 3.18e+05
assign (resid  62 and name   HN ) (resid  64 and name  HA1 )  4.5  2.2  2.0 ! A.1135 at 2.55e+05
assign (resid  62 and name  HG1 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1690 at 3.45e+05
assign (resid  62 and name  HB1 ) (resid  64 and name   HN )  4.5  2.2  2.0 ! A.1691 at 6.35e+05
assign (resid  62 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.889  at 6.11e+05
assign (resid  62 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.1127 at 8.25e+04
assign (resid  62 and name   HN ) (resid  65 and name  HD1 )  4.0  2.2  1.0 ! A.1128 at 1.03e+06
assign (resid  62 and name   HN ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.1126 at 4.06e+05
assign (resid  62 and name  HB1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.335  at 2.87e+05

! H63
assign (resid  63 and name  HD2 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.647  at 4.96e+05
assign (resid  63 and name  HB2 ) (resid  63 and name   HN )  2.5  0.7  0.4 ! A.652  at 8.90e+06
assign (resid  63 and name  HB1 ) (resid  63 and name   HN )  4.5  2.2  2.0 ! A.651  at 4.45e+05
assign (resid  63 and name   HN ) (resid  64 and name   HN )  2.5  0.7  0.4 ! A.645  at 5.30e+06
assign (resid  63 and name  HB1 ) (resid  64 and name   HN )  3.5  1.2  0.5 ! A.1685 at 2.02e+06
assign (resid  63 and name   HN ) (resid  64 and name  HA1 )  4.0  2.2  1.0 ! A.653  at 8.36e+05
assign (resid  63 and name   HN ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.656  at 7.78e+05
assign (resid  63 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.648  at 1.72e+05
assign (resid  63 and name  HB1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.890  at 2.94e+05
assign (resid  63 and name   HA ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.886  at 2.15e+05
assign (resid  63 and name  HB2 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.891  at 1.76e+05
assign (resid  63 and name   HN ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.616  at 2.38e+05
assign (resid  63 and name   HA ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.325  at 1.70e+06
assign (resid  63 and name  HB2 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.329  at 2.09e+05
assign (resid  63 and name   HN ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.646  at 1.14e+05
assign (resid  63 and name  HB2 ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.417  at 2.91e+05
assign (resid  63 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.412  at 1.16e+05

! G64
assign (resid  64 and name  HA2 ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.894  at 1.72e+06
assign (resid  64 and name   HN ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.882  at 3.22e+06
assign (resid  64 and name   HN ) (resid  65 and name  HD1 )  4.5  2.2  2.0 ! A.1682 at 6.15e+05
assign (resid  64 and name  HA1 ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.418  at 5.86e+05
assign (resid  64 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.1693 at 2.49e+05
assign (resid  64 and name   HN ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.1694 at 3.82e+05

! F65
assign (resid  65 and name  HB1 ) (resid  65 and name   HN )  3.5  1.2  0.5 ! A.896  at 3.67e+06
assign (resid  65 and name  HD1 ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.884  at 5.01e+06
assign (resid  65 and name  HB2 ) (resid  65 and name   HN )  2.5  0.7  0.4 ! A.898  at 5.08e+06
assign (resid  65 and name  HE1 ) (resid  65 and name   HN )  4.5  2.2  2.0 ! A.885  at 2.59e+05
assign (resid  65 and name  HD1 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.324  at 4.39e+05
assign (resid  65 and name  HB2 ) (resid  66 and name   HN )  4.5  2.2  2.0 ! A.333  at 3.54e+05
assign (resid  65 and name   HN ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.883  at 4.04e+06
assign (resid  65 and name   HA ) (resid  66 and name   HN )  4.0  2.2  1.0 ! A.327  at 8.11e+05
assign (resid  65 and name   HN ) (resid  66 and name   HA )  4.5  2.2  2.0 ! A.887  at 1.39e+05
assign (resid  65 and name   HN ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.411  at 3.69e+05
assign (resid  65 and name   HN ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.880  at 2.95e+05
assign (resid  65 and name   HA ) (resid  69 and name   HN )  4.5  2.2  2.0 ! A.601  at 6.59e+05

! D66
assign (resid  66 and name  HB2 ) (resid  66 and name   HN )  3.5  1.2  0.5 ! A.332  at 4.30e+06
assign (resid  66 and name  HB1 ) (resid  66 and name   HN )  2.5  0.7  0.4 ! A.331  at 6.25e+06
assign (resid  66 and name   HN ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.322  at 4.06e+07
assign (resid  66 and name   HN ) (resid  67 and name   HB )  4.0  2.2  1.0 ! A.336  at 8.88e+05
assign (resid  66 and name   HN ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.339  at 5.31e+05
assign (resid  66 and name   HN ) (resid  67 and name HG11 )  4.5  2.2  2.0 ! A.338  at 1.74e+05
assign (resid  66 and name  HB1 ) (resid  67 and name   HN )  3.5  1.2  0.5 ! A.419  at 2.74e+06
assign (resid  66 and name  HB2 ) (resid  67 and name   HN )  3.5  1.2  0.5 ! A.420  at 2.20e+06
assign (resid  66 and name   HA ) (resid  67 and name   HN )  4.5  2.2  2.0 ! A.413  at 3.48e+05
assign (resid  66 and name   HN ) (resid  68 and name  HB1 )  4.5  2.2  2.0 ! A.337  at 3.15e+05
assign (resid  66 and name   HN ) (resid  68 and name   HN )  3.5  1.2  0.5 ! A.496  at 1.82e+06
assign (resid  66 and name   HN ) (resid  69 and name HG2# )  4.0  2.2  1.5 ! A.340  at 1.31e+06
assign (resid  66 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1718 at 2.00e+05
assign (resid  66 and name  HB1 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1725 at 2.18e+05

! I67
assign (resid  67 and name HG12 ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.424  at 6.31e+06
assign (resid  67 and name   HB ) (resid  67 and name   HN )  2.5  0.7  0.4 ! A.422  at 8.70e+06
assign (resid  67 and name HG12 ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.505  at 9.08e+05
assign (resid  67 and name   HA ) (resid  68 and name   HN )  4.0  2.2  1.0 ! A.498  at 8.44e+05
assign (resid  67 and name HG12 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1732 at 1.35e+05

! L68
assign (resid  68 and name  HB1 ) (resid  68 and name   HN )  2.5  0.7  0.4 ! A.503  at 8.65e+06
assign (resid  68 and name HD1# ) (resid  68 and name   HN )  4.0  2.2  1.5 ! A.508  at 1.44e+06
assign (resid  68 and name   HN ) (resid  69 and name   HN )  3.5  1.2  0.5 ! A.494  at 2.69e+06
assign (resid  68 and name   HG ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1731 at 2.47e+05
assign (resid  68 and name  HB1 ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1730 at 3.94e+05
assign (resid  68 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1720 at 3.28e+05
assign (resid  68 and name   HG ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.406  at 5.07e+05
assign (resid  68 and name  HB1 ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.405  at 3.40e+05
assign (resid  68 and name HD1# ) (resid  93 and name HE21 )  4.5  2.2  2.5 ! A.1568 at 6.85e+05
assign (resid  68 and name HD1# ) (resid  93 and name HE22 )  4.0  2.2  1.5 ! A.1569 at 1.24e+06
assign (resid  68 and name   HA ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1552 at 3.14e+05

! V69
assign (resid  69 and name HG2# ) (resid  69 and name   HN )  2.5  0.7  0.9 ! A.628  at 9.51e+06
assign (resid  69 and name   HB ) (resid  69 and name   HN )  3.5  1.2  0.5 ! A.625  at 4.41e+06
assign (resid  69 and name HG1# ) (resid  69 and name   HN )  3.5  0.7  0.9 ! A.627  at 1.26e+07
assign (resid  69 and name   HN ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.1714 at 4.12e+06
assign (resid  69 and name HG1# ) (resid  70 and name   HN )  4.5  2.2  2.5 ! A.1733 at 4.13e+05
assign (resid  69 and name   HA ) (resid  70 and name   HN )  4.5  2.2  2.0 ! A.1723 at 6.51e+05
assign (resid  69 and name HG2# ) (resid  70 and name   HN )  4.0  2.2  1.5 ! A.1734 at 1.22e+06
assign (resid  69 and name   HB ) (resid  70 and name   HN )  3.5  1.2  0.5 ! A.1728 at 4.21e+06
assign (resid  69 and name   HN ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.21   at 2.75e+05
assign (resid  69 and name   HN ) (resid  72 and name   HB )  4.0  1.2  0.7 ! A.621  at 2.98e+06  C
assign (resid  69 and name   HA ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.271  at 3.77e+05

! G70
assign (resid  70 and name  HA1 ) (resid  71 and name   HN )  3.5  1.2  0.5 ! A.398  at 4.32e+06
assign (resid  70 and name   HN ) (resid  71 and name   HA )  4.5  2.2  2.0 ! A.1719 at 4.05e+05
assign (resid  70 and name   HN ) (resid  71 and name  HG2 )  4.5  2.2  2.0 ! A.1727 at 2.07e+05
assign (resid  70 and name   HN ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.1715 at 4.15e+07
assign (resid  70 and name   HN ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.1726 at 3.60e+05
assign (resid  70 and name   HN ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.23   at 3.03e+05
assign (resid  70 and name  HA1 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.27   at 1.77e+05
assign (resid  70 and name  HA1 ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.269  at 2.03e+06
assign (resid  70 and name   HN ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.263  at 2.07e+05
assign (resid  70 and name  HA1 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.207  at 3.84e+05
assign (resid  70 and name  HA2 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.208  at 1.51e+05

! Q71
assign (resid  71 and name HE22 ) (resid  71 and name   HN )  4.5  2.2  2.0 ! A.396  at 2.14e+05
assign (resid  71 and name  HG1 ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.401  at 6.48e+06
assign (resid  71 and name  HG2 ) (resid  71 and name   HN )  3.0  0.7  0.6 ! A.402  at 1.07e+07 C
assign (resid  71 and name  HB1 ) (resid  71 and name   HN )  2.5  0.7  0.4 ! A.404  at 5.68e+06
assign (resid  71 and name   HN ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1649 at 1.91e+05
assign (resid  71 and name  HG2 ) (resid  71 and name HE22 )  3.5  1.2  0.5 ! A.1668 at 2.37e+06
assign (resid  71 and name  HG1 ) (resid  71 and name HE21 )  3.5  1.2  0.5 ! A.1663 at 1.75e+06
assign (resid  71 and name  HG2 ) (resid  71 and name HE21 )  3.5  1.2  0.5 ! A.1667 at 3.82e+06
assign (resid  71 and name  HB1 ) (resid  71 and name HE21 )  4.0  2.2  1.0 ! A.1671 at 8.50e+05
assign (resid  71 and name   HA ) (resid  71 and name HE21 )  4.5  2.2  2.0 ! A.1655 at 3.24e+05
assign (resid  71 and name  HG1 ) (resid  71 and name HE22 )  4.0  2.2  1.0 ! A.1664 at 1.23e+06
assign (resid  71 and name  HB1 ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1672 at 3.08e+05
assign (resid  71 and name   HA ) (resid  71 and name HE22 )  4.5  2.2  2.0 ! A.1656 at 2.94e+05
assign (resid  71 and name  HG1 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.30   at 4.24e+05
assign (resid  71 and name   HN ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.394  at 5.76e+06
assign (resid  71 and name   HA ) (resid  72 and name   HN )  3.5  1.2  0.5 ! A.26   at 1.71e+06
assign (resid  71 and name  HG2 ) (resid  72 and name   HN )  3.5  1.2  0.5 ! A.31   at 2.73e+06
assign (resid  71 and name HE22 ) (resid  72 and name   HN )  4.5  2.2  2.0 ! A.1646 at 3.86e+05
assign (resid  71 and name   HN ) (resid  72 and name HG1# )  4.0  2.2  1.5 ! A.407  at 1.31e+06
assign (resid  71 and name HE22 ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.1660 at 3.14e+05
assign (resid  71 and name HE21 ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.1659 at 1.72e+05
assign (resid  71 and name HE21 ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.264  at 1.19e+05
assign (resid  71 and name  HG1 ) (resid  73 and name   HN )  4.0  2.2  1.0 ! A.273  at 1.01e+06
assign (resid  71 and name   HA ) (resid  73 and name   HN )  4.5  2.2  2.0 ! A.268  at 1.76e+05
assign (resid  71 and name HE22 ) (resid  74 and name  HB1 )  4.5  2.2  2.0 ! A.1661 at 3.20e+05
assign (resid  71 and name HE21 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.1648 at 1.49e+05
assign (resid  71 and name HE21 ) (resid  74 and name  HB2 )  4.5  2.2  2.0 ! A.1662 at 3.83e+05
assign (resid  71 and name HE21 ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.1675 at 2.66e+05
assign (resid  71 and name HE21 ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.1644 at 2.90e+05
assign (resid  71 and name HE21 ) (resid  90 and name  HB# )  4.5  2.2  2.5 ! A.1673 at 4.43e+05
assign (resid  71 and name HE22 ) (resid  90 and name  HB# )  4.5  2.2  2.5 ! A.1674 at 4.21e+05
assign (resid  71 and name HE22 ) (resid  91 and name   HN )  4.5  2.2  2.0 ! A.1647 at 2.43e+05
assign (resid  71 and name  HB1 ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1563 at 5.71e+05
assign (resid  71 and name  HG1 ) (resid  93 and name HE22 )  3.5  1.2  0.5 ! A.1558 at 2.00e+06
assign (resid  71 and name HE22 ) (resid  93 and name  HB1 )  4.0  2.2  1.0 ! A.1670 at 9.37e+05
assign (resid  71 and name HE21 ) (resid  93 and name  HB1 )  4.5  2.2  2.0 ! A.1669 at 7.71e+05
assign (resid  71 and name HE22 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.1677 at 3.22e+06
assign (resid  71 and name HE21 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.1676 at 3.72e+06

! I72
assign (resid  72 and name HG11 ) (resid  72 and name   HN )  3.0  0.7  0.6 ! A.35   at 6.49e+06 C
assign (resid  72 and name   HB ) (resid  72 and name   HN )  2.5  0.7  0.4 ! A.33   at 1.15e+07
assign (resid  72 and name   HN ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.260  at 5.43e+07
assign (resid  72 and name   HN ) (resid  73 and name   HA )  4.5  2.2  2.0 ! A.25   at 4.50e+05
assign (resid  72 and name HG2# ) (resid  73 and name   HN )  4.5  2.2  2.5 ! A.277  at 3.86e+05
assign (resid  72 and name HG11 ) (resid  73 and name   HN )  4.0  1.2  0.7 ! A.276  at 3.10e+06 C
assign (resid  72 and name   HA ) (resid  73 and name   HN )  3.5  1.2  0.5 ! A.270  at 2.29e+06
assign (resid  72 and name   HB ) (resid  73 and name   HN )  2.5  0.7  0.4 ! A.274  at 7.06e+06
assign (resid  72 and name   HN ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.34   at 3.03e+05
assign (resid  72 and name HG2# ) (resid  75 and name   HN )  3.5  1.2  1.0 ! A.87   at 2.31e+06
assign (resid  72 and name   HA ) (resid  75 and name   HN )  3.5  1.2  0.5 ! A.80   at 1.95e+06
assign (resid  72 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.349  at 2.43e+05

! D73
assign (resid  73 and name  HB# ) (resid  73 and name   HN )  2.5  0.7  0.9 ! A.272  at 8.60e+06
assign (resid  73 and name   HN ) (resid  74 and name   HN )  3.5  1.2  0.5 ! A.261  at 4.23e+06
assign (resid  73 and name  HB2 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.210  at 5.01e+05
assign (resid  73 and name   HA ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.203  at 2.52e+05
assign (resid  73 and name   HN ) (resid  74 and name   HA )  4.5  2.2  2.0 ! A.267  at 5.07e+05
assign (resid  73 and name  HB1 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.209  at 3.35e+05
assign (resid  73 and name   HN ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.262  at 1.49e+06
assign (resid  73 and name   HA ) (resid  75 and name   HN )  4.5  2.2  2.0 ! A.76   at 1.32e+05
assign (resid  73 and name   HN ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.275  at 3.12e+05
assign (resid  73 and name   HN ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.259  at 2.59e+05
assign (resid  73 and name   HA ) (resid  76 and name   HN )  3.5  1.2  0.5 ! A.345  at 2.72e+06
assign (resid  73 and name  HB1 ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.350  at 2.04e+05

! D74
assign (resid  74 and name  HB1 ) (resid  74 and name   HN )  3.0  0.7  0.6 ! A.211  at 1.03e+07 C
assign (resid  74 and name  HB2 ) (resid  74 and name   HN )  4.5  2.2  2.0 ! A.212  at 3.65e+05
assign (resid  74 and name  HB1 ) (resid  75 and name   HN )  3.5  1.2  0.5 ! A.82   at 4.42e+06
assign (resid  74 and name   HA ) (resid  75 and name   HN )  4.0  2.2  1.0 ! A.77   at 1.33e+06
assign (resid  74 and name   HN ) (resid  75 and name   HN )  2.5  0.7  0.4 ! A.201  at 9.87e+06
assign (resid  74 and name   HA ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.346  at 4.11e+05
assign (resid  74 and name  HB2 ) (resid  76 and name   HN )  4.5  2.2  2.0 ! A.352  at 1.97e+05
assign (resid  74 and name   HA ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1089 at 2.51e+05

! A75
assign (resid  75 and name  HB# ) (resid  75 and name   HN )  2.5  0.7  0.9 ! A.84   at 1.86e+07
assign (resid  75 and name   HN ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.342  at 1.34e+07
assign (resid  75 and name   HA ) (resid  76 and name   HN )  3.5  1.2  0.5 ! A.347  at 1.88e+06
assign (resid  75 and name   HN ) (resid  78 and name  HB2 )  4.0  2.2  1.0 ! A.83   at 1.39e+06
assign (resid  75 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.75   at 4.79e+05

! L76
assign (resid  76 and name   HG ) (resid  76 and name   HN )  3.5  1.2  0.5 ! A.356  at 4.09e+06
assign (resid  76 and name HD2# ) (resid  76 and name   HN )  4.0  2.2  1.5 ! A.360  at 1.24e+06
assign (resid  76 and name HD1# ) (resid  76 and name   HN )  2.5  0.7  0.9 ! A.358  at 6.34e+06
assign (resid  76 and name  HB1 ) (resid  76 and name   HN )  2.5  0.7  0.4 ! A.354  at 1.18e+07
assign (resid  76 and name   HN ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.556  at 5.77e+06
assign (resid  76 and name HD2# ) (resid  77 and name   HN )  4.5  2.2  2.5 ! A.570  at 7.64e+05
assign (resid  76 and name   HN ) (resid  78 and name  HB2 )  4.5  2.2  2.0 ! A.355  at 1.71e+05
assign (resid  76 and name   HN ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1085 at 5.59e+05
assign (resid  76 and name   HA ) (resid  78 and name   HN )  4.5  2.2  2.0 ! A.1091 at 3.83e+05
assign (resid  76 and name   HN ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.357  at 1.21e+06
assign (resid  76 and name   HA ) (resid  79 and name   HN )  4.5  2.2  2.0 ! A.297  at 1.25e+05
assign (resid  76 and name   HA ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.780  at 2.21e+05

! K77
assign (resid  77 and name  HD2 ) (resid  77 and name   HN )  3.5  1.2  0.5 ! A.568  at 1.80e+06
assign (resid  77 and name  HB1 ) (resid  77 and name   HN )  2.5  0.7  0.4 ! A.567  at 2.42e+07
assign (resid  77 and name   HN ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.1088 at 5.69e+06
assign (resid  77 and name   HN ) (resid  78 and name HD1# )  4.0  2.2  1.5 ! A.569  at 1.29e+06
assign (resid  77 and name   HA ) (resid  80 and name   HN )  3.5  1.2  0.5 ! A.779  at 3.26e+06

! L78
assign (resid  78 and name HD2# ) (resid  78 and name   HN )  4.5  2.2  2.5 ! A.1104 at 4.53e+05
assign (resid  78 and name  HB1 ) (resid  78 and name   HN )  3.5  1.2  0.5 ! A.1097 at 4.36e+06
assign (resid  78 and name HD1# ) (resid  78 and name   HN )  2.5  0.7  0.9 ! A.1103 at 5.80e+06
assign (resid  78 and name  HB2 ) (resid  78 and name   HN )  2.5  0.7  0.4 ! A.1098 at 1.06e+07
assign (resid  78 and name   HG ) (resid  78 and name   HN )  3.5  1.2  0.5 ! A.1101 at 3.41e+06
assign (resid  78 and name HD2# ) (resid  79 and name   HN )  4.0  2.2  1.5 ! A.319  at 1.07e+06
assign (resid  78 and name   HN ) (resid  79 and name   HN )  2.5  0.7  0.4 ! A.1087 at 5.33e+06
assign (resid  78 and name  HB# ) (resid  79 and name   HN )  2.5  0.7  0.9 ! A.313  at 5.30e+06
assign (resid  78 and name   HN ) (resid  79 and name   HA )  4.5  2.2  2.0 ! A.1092 at 3.40e+05
assign (resid  78 and name   HN ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.1086 at 2.82e+05
assign (resid  78 and name   HN ) (resid  80 and name  HB1 )  4.5  2.2  2.0 ! A.1093 at 1.64e+05
assign (resid  78 and name   HN ) (resid  81 and name   HN )  4.5  2.2  2.0 ! A.995  at 3.91e+05
assign (resid  78 and name   HN ) (resid  81 and name  HG1 )  4.5  2.2  2.0 ! A.1094 at 3.46e+05
assign (resid  78 and name   HN ) (resid  81 and name  HB1 )  4.5  2.2  2.0 ! A.1095 at 9.31e+04
assign (resid  78 and name   HA ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.998  at 1.88e+06
assign (resid  78 and name  HB1 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1707 at 5.07e+04
assign (resid  78 and name   HA ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.57   at 6.72e+05
assign (resid  78 and name   HN ) (resid  83 and name  HG2 )  4.5  2.2  2.0 ! A.1102 at 3.48e+05
assign (resid  78 and name HD2# ) (resid  87 and name   HN )  3.5  1.2  1.0 ! A.18   at 3.54e+06

! A79
assign (resid  79 and name  HB# ) (resid  79 and name   HN )  2.5  0.7  0.9 ! A.317  at 1.52e+07
assign (resid  79 and name   HN ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.773  at 5.63e+06
assign (resid  79 and name  HB# ) (resid  80 and name HD21 )  4.5  2.2  2.5 ! A.1643 at 1.61e+05
assign (resid  79 and name  HB# ) (resid  80 and name   HN )  2.5  0.7  0.9 ! A.787  at 9.27e+06
assign (resid  79 and name   HA ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.58   at 2.60e+06
assign (resid  79 and name   HN ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.307  at 8.31e+05

! N80
assign (resid  80 and name HD22 ) (resid  80 and name   HN )  4.5  2.2  2.0 ! A.777  at 2.43e+05
assign (resid  80 and name  HB1 ) (resid  80 and name   HN )  2.5  0.7  0.4 ! A.782  at 1.22e+07
assign (resid  80 and name  HB1 ) (resid  80 and name HD22 )  3.5  1.2  0.5 ! A.1634 at 3.74e+06
assign (resid  80 and name  HB1 ) (resid  80 and name HD21 )  3.5  1.2  0.5 ! A.1633 at 3.56e+06
assign (resid  80 and name  HB2 ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1635 at 1.59e+05
assign (resid  80 and name   HA ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1630 at 2.20e+05
assign (resid  80 and name  HB2 ) (resid  80 and name HD22 )  4.5  2.2  2.0 ! A.1636 at 3.32e+05
assign (resid  80 and name   HA ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1629 at 4.57e+05
assign (resid  80 and name   HN ) (resid  80 and name HD21 )  4.5  2.2  2.0 ! A.1624 at 2.36e+05
assign (resid  80 and name   HN ) (resid  81 and name   HN )  2.5  0.7  0.4 ! A.993  at 5.76e+06
assign (resid  80 and name   HN ) (resid  81 and name  HB2 )  4.0  2.2  1.0 ! A.784  at 1.03e+06
assign (resid  80 and name  HB1 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.1000 at 2.33e+06
assign (resid  80 and name HD21 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1626 at 2.27e+05
assign (resid  80 and name   HN ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.774  at 3.99e+05

! E81
assign (resid  81 and name  HG2 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.1002 at 2.26e+06
assign (resid  81 and name  HG1 ) (resid  81 and name   HN )  3.5  1.2  0.5 ! A.1001 at 3.70e+06
assign (resid  81 and name  HB2 ) (resid  81 and name   HN )  2.5  0.7  0.4 ! A.1003 at 9.10e+06
assign (resid  81 and name   HN ) (resid  82 and name  HA2 )  4.5  2.2  2.0 ! A.999  at 2.53e+05
assign (resid  81 and name   HN ) (resid  82 and name  HA1 )  4.5  2.2  2.0 ! A.997  at 3.26e+05
assign (resid  81 and name  HB1 ) (resid  82 and name   HN )  3.5  1.2  0.5 ! A.1705 at 1.81e+06
assign (resid  81 and name   HN ) (resid  82 and name   HN )  2.5  0.7  0.4 ! A.994  at 5.10e+06
assign (resid  81 and name  HG2 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1704 at 2.33e+05
assign (resid  81 and name  HB2 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1706 at 1.35e+05
assign (resid  81 and name  HG1 ) (resid  82 and name   HN )  4.5  2.2  2.0 ! A.1703 at 3.18e+05
assign (resid  81 and name   HN ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.54   at 1.42e+06
assign (resid  81 and name  HG1 ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.61   at 2.10e+05
assign (resid  81 and name   HN ) (resid  83 and name  HG2 )  4.0  2.2  1.0 ! A.1004 at 1.22e+06

! G82
assign (resid  82 and name   HN ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.52   at 5.53e+07
assign (resid  82 and name  HA1 ) (resid  83 and name   HN )  4.0  2.2  1.0 ! A.56   at 1.39e+06
assign (resid  82 and name   HN ) (resid  83 and name  HG2 )  3.5  1.2  0.5 ! A.1711 at 1.76e+06
assign (resid  82 and name   HN ) (resid  83 and name  HG1 )  4.5  2.2  2.0 ! A.1709 at 6.10e+05
assign (resid  82 and name  HA2 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.248  at 2.45e+05
assign (resid  82 and name  HA1 ) (resid  84 and name   HN )  4.0  1.2  1.0 ! A.246  at 4.15e+06 C

! K83
assign (resid  83 and name  HG1 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.67   at 1.74e+06
assign (resid  83 and name  HG2 ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.69   at 7.71e+06
assign (resid  83 and name  HB2 ) (resid  83 and name   HN )  2.5  0.7  0.4 ! A.66   at 6.71e+06
assign (resid  83 and name  HB1 ) (resid  83 and name   HN )  3.5  1.2  0.5 ! A.64   at 4.43e+06
assign (resid  83 and name  HE1 ) (resid  83 and name   HN )  4.5  2.2  2.0 ! A.60   at 5.21e+05
assign (resid  83 and name   HN ) (resid  84 and name HG2# )  3.5  1.2  1.0 ! A.70   at 1.67e+06
assign (resid  83 and name   HN ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.244  at 5.13e+05
assign (resid  83 and name   HN ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.59   at 2.12e+05
assign (resid  83 and name   HA ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.245  at 1.68e+07
assign (resid  83 and name  HG2 ) (resid  84 and name   HN )  4.5  2.2  2.0 ! A.256  at 7.37e+05
assign (resid  83 and name  HG# ) (resid  84 and name   HN )  3.5  1.2  1.0 ! A.254  at 1.58e+06
assign (resid  83 and name   HN ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.51   at 2.53e+05
assign (resid  83 and name  HB2 ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.13   at 1.58e+06

! V84
assign (resid  84 and name HG2# ) (resid  84 and name   HN )  2.5  0.7  0.9 ! A.257  at 1.34e+07
assign (resid  84 and name   HB ) (resid  84 and name   HN )  2.5  0.7  0.4 ! A.252  at 1.38e+07
assign (resid  84 and name   HN ) (resid  85 and name  HE1 )  4.5  2.2  2.0 ! A.250  at 4.15e+05
assign (resid  84 and name   HN ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.585  at 5.31e+06
assign (resid  84 and name   HA ) (resid  85 and name   HN )  3.5  1.2  0.5 ! A.589  at 1.60e+06
assign (resid  84 and name   HB ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.592  at 9.25e+06
assign (resid  84 and name HG1# ) (resid  85 and name   HN )  2.5  0.7  0.9 ! A.595  at 5.10e+06
assign (resid  84 and name   HN ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.363  at 1.40e+05
assign (resid  84 and name HG2# ) (resid  86 and name   HN )  4.5  2.2  2.5 ! A.374  at 2.12e+05
assign (resid  84 and name   HA ) (resid  86 and name   HN )  4.5  2.2  2.0 ! A.367  at 3.87e+05
assign (resid  84 and name   HA ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.9    at 1.52e+06
assign (resid  84 and name   HN ) (resid  87 and name   HN )  3.5  1.2  0.5 ! A.243  at 2.09e+06
assign (resid  84 and name   HA ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.1113 at 4.35e+05
assign (resid  84 and name   HN ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.1109 at 4.22e+05
assign (resid  84 and name HG2# ) (resid  88 and name HE21 )  4.5  2.2  2.5 ! A.1392 at 6.90e+05
assign (resid  84 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1378 at 4.10e+05
assign (resid  84 and name   HB ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1293 at 5.74e+05
assign (resid  84 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.148  at 1.46e+05

! K85
assign (resid  85 and name  HG1 ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.594  at 6.94e+06
assign (resid  85 and name  HE1 ) (resid  85 and name   HN )  4.5  2.2  2.0 ! A.590  at 1.76e+05
assign (resid  85 and name  HB2 ) (resid  85 and name   HN )  2.5  0.7  0.4 ! A.593  at 1.38e+07
assign (resid  85 and name  HB2 ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.372  at 8.35e+06
assign (resid  85 and name  HG1 ) (resid  86 and name   HN )  4.0  2.2  1.0 ! A.373  at 1.35e+06
assign (resid  85 and name   HA ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.364  at 1.75e+06
assign (resid  85 and name   HN ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.582  at 6.47e+06
assign (resid  85 and name   HN ) (resid  86 and name  HG1 )  4.5  2.2  2.0 ! A.591  at 3.03e+05
assign (resid  85 and name   HN ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.586  at 1.34e+05
assign (resid  85 and name  HE1 ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1379 at 5.73e+05
assign (resid  85 and name   HN ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.584  at 2.30e+05
assign (resid  85 and name   HA ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.1008 at 2.86e+06
assign (resid  85 and name  HG1 ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.1390 at 1.83e+06
assign (resid  85 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1374 at 5.51e+05
assign (resid  85 and name   HA ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1356 at 3.63e+05
assign (resid  85 and name  HB2 ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1389 at 2.04e+05
assign (resid  85 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.145  at 4.23e+05

! E86
assign (resid  86 and name  HB2 ) (resid  86 and name   HN )  2.5  0.7  0.4 ! A.371  at 1.29e+07
assign (resid  86 and name  HG1 ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.368  at 2.32e+06
assign (resid  86 and name  HG2 ) (resid  86 and name   HN )  3.5  1.2  0.5 ! A.369  at 3.57e+06
assign (resid  86 and name  HG1 ) (resid  87 and name   HN )  4.0  2.2  1.0 ! A.10   at 1.34e+06
assign (resid  86 and name   HN ) (resid  87 and name   HN )  2.5  0.7  0.4 ! A.362  at 1.32e+07
assign (resid  86 and name  HG2 ) (resid  87 and name   HN )  4.5  2.2  2.0 ! A.11   at 2.68e+05
assign (resid  86 and name   HN ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.1105 at 3.02e+05
assign (resid  86 and name   HN ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1364 at 2.36e+05
assign (resid  86 and name   HA ) (resid  89 and name   HN )  3.5  1.2  0.5 ! A.41   at 3.22e+06
assign (resid  86 and name   HN ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.232  at 9.40e+04
assign (resid  86 and name  HB2 ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.239  at 2.43e+05

! A87
assign (resid  87 and name  HB# ) (resid  87 and name   HN )  2.5  0.7  0.9 ! A.15   at 1.81e+07
assign (resid  87 and name   HN ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.1106 at 5.04e+06
assign (resid  87 and name  HB# ) (resid  88 and name   HN )  2.5  0.7  0.9 ! A.1015 at 7.92e+06
assign (resid  87 and name   HA ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.1111 at 1.74e+06
assign (resid  87 and name   HN ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.4    at 5.00e+05
assign (resid  87 and name   HA ) (resid  90 and name   HN )  3.5  1.2  0.5 ! A.206  at 3.47e+06

! Q88
assign (resid  88 and name HE22 ) (resid  88 and name   HN )  4.5  2.2  2.0 ! A.1110 at 1.76e+05
assign (resid  88 and name  HB2 ) (resid  88 and name   HN )  2.5  0.7  0.4 ! A.1117 at 5.62e+06
assign (resid  88 and name  HG1 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.1114 at 4.24e+06
assign (resid  88 and name HE21 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.1108 at 3.20e+06
assign (resid  88 and name  HB2 ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1387 at 6.46e+05
assign (resid  88 and name  HB1 ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1385 at 2.44e+05
assign (resid  88 and name  HG1 ) (resid  88 and name HE22 )  3.5  1.2  0.5 ! A.1381 at 4.14e+06
assign (resid  88 and name  HG1 ) (resid  88 and name HE21 )  3.5  1.2  0.5 ! A.1380 at 4.03e+06
assign (resid  88 and name   HA ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1376 at 2.09e+05
assign (resid  88 and name  HB1 ) (resid  88 and name HE22 )  4.0  2.2  1.0 ! A.1386 at 1.49e+06
assign (resid  88 and name   HA ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1377 at 2.81e+05
assign (resid  88 and name  HG2 ) (resid  88 and name HE21 )  4.5  2.2  2.0 ! A.1382 at 4.05e+05
assign (resid  88 and name  HG2 ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1383 at 3.69e+05
assign (resid  88 and name  HB2 ) (resid  88 and name HE22 )  4.5  2.2  2.0 ! A.1388 at 5.73e+05
assign (resid  88 and name  HB1 ) (resid  88 and name   HN )  3.5  1.2  0.5 ! A.1115 at 2.95e+06
assign (resid  88 and name  HG1 ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.149  at 6.35e+06
assign (resid  88 and name  HB2 ) (resid  89 and name   HN )  3.5  1.2  0.5 ! A.47   at 3.47e+06
assign (resid  88 and name   HN ) (resid  89 and name   HN )  2.5  0.7  0.4 ! A.141  at 4.58e+06
assign (resid  88 and name   HA ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.147  at 1.61e+05
assign (resid  88 and name  HG2 ) (resid  89 and name   HN )  4.5  2.2  2.0 ! A.150  at 3.84e+05
assign (resid  88 and name  HB# ) (resid  89 and name   HN )  4.5  2.2  2.5 ! A.151  at 3.32e+05
assign (resid  88 and name   HA ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.237  at 3.05e+05
assign (resid  88 and name   HN ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.233  at 2.74e+05
assign (resid  88 and name  HG2 ) (resid  90 and name   HN )  4.5  2.2  2.0 ! A.238  at 1.66e+05
assign (resid  88 and name  HG1 ) (resid  91 and name   HN )  4.0  2.2  1.0 ! A.387  at 8.88e+05

! A89
assign (resid  89 and name  HB# ) (resid  89 and name   HN )  2.5  0.7  0.9 ! A.153  at 2.35e+07
assign (resid  89 and name   HN ) (resid  90 and name   HN )  2.5  0.7  0.4 ! A.235  at 1.14e+08
assign (resid  89 and name   HN ) (resid  92 and name   HN )  4.5  2.2  2.0 ! A.144  at 2.30e+05

! A90
assign (resid  90 and name  HB# ) (resid  90 and name   HN )  2.5  0.7  0.9 ! A.240  at 3.54e+07
assign (resid  90 and name   HN ) (resid  91 and name   HN )  2.5  0.7  0.4 ! A.377  at 6.88e+06
assign (resid  90 and name   HA ) (resid  91 and name   HN )  3.5  1.2  0.5 ! A.390  at 1.95e+06
assign (resid  90 and name   HN ) (resid  93 and name   HN )  4.5  2.2  2.0 ! A.1017 at 3.33e+05

! A91
assign (resid  91 and name  HB# ) (resid  91 and name   HN )  2.5  0.7  0.9 ! A.392  at 3.03e+07
assign (resid  91 and name   HN ) (resid  92 and name   HN )  3.5  1.2  0.5 ! A.979  at 4.31e+06
assign (resid  91 and name  HB# ) (resid  92 and name   HN )  2.5  0.7  0.9 ! A.991  at 7.39e+06
assign (resid  91 and name   HN ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.753  at 1.92e+05

! E92
assign (resid  92 and name  HB1 ) (resid  92 and name   HN )  3.5  1.2  0.5 ! A.989  at 3.55e+06
assign (resid  92 and name  HG1 ) (resid  92 and name   HN )  2.5  0.7  0.4 ! A.987  at 9.91e+06
assign (resid  92 and name   HN ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.983  at 6.47e+06
assign (resid  92 and name   HA ) (resid  95 and name   HN )  4.0  2.2  1.0 ! A.792  at 1.36e+06
assign (resid  92 and name   HN ) (resid  95 and name  HB2 )  4.0  2.2  1.0 ! A.990  at 8.76e+05
assign (resid  92 and name  HG1 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1325 at 2.63e+05

! Q93
assign (resid  93 and name HE21 ) (resid  93 and name   HN )  3.5  1.2  0.5 ! A.1018 at 4.30e+06
assign (resid  93 and name  HB1 ) (resid  93 and name   HN )  2.5  0.7  0.4 ! A.1023 at 2.16e+07
assign (resid  93 and name  HG1 ) (resid  93 and name   HN )  4.0  1.2  1.0 ! A.1022 at 3.61e+06 C
assign (resid  93 and name  HB1 ) (resid  93 and name HE22 )  3.5  1.2  0.5 ! A.1562 at 3.24e+06
assign (resid  93 and name  HB1 ) (resid  93 and name HE21 )  3.5  1.2  0.5 ! A.1561 at 4.10e+06
assign (resid  93 and name  HG1 ) (resid  93 and name HE21 )  3.5  1.2  0.5 ! A.1559 at 2.55e+06
assign (resid  93 and name  HG1 ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1560 at 3.28e+05
assign (resid  93 and name   HA ) (resid  93 and name HE21 )  4.5  2.2  2.0 ! A.1550 at 1.63e+05
assign (resid  93 and name   HA ) (resid  93 and name HE22 )  4.5  2.2  2.0 ! A.1551 at 4.50e+05
assign (resid  93 and name HE22 ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.756  at 2.01e+05
assign (resid  93 and name   HN ) (resid  94 and name HD1# )  4.0  2.2  1.5 ! A.1024 at 8.96e+05
assign (resid  93 and name HE22 ) (resid  94 and name   HG )  3.5  1.2  0.5 ! A.1566 at 2.61e+06
assign (resid  93 and name HE21 ) (resid  94 and name   HG )  3.5  1.2  0.5 ! A.1565 at 2.24e+06
assign (resid  93 and name HE21 ) (resid  94 and name  HB2 )  4.5  2.2  2.0 ! A.1564 at 3.94e+05
assign (resid  93 and name HE22 ) (resid  94 and name   HA )  4.5  2.2  2.0 ! A.1554 at 2.88e+05
assign (resid  93 and name  HB1 ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.760  at 1.11e+07
assign (resid  93 and name   HN ) (resid  94 and name   HN )  2.5  0.7  0.4 ! A.755  at 6.47e+06
assign (resid  93 and name   HN ) (resid  94 and name  HB# )  3.5  1.2  1.0 ! A.814  at 1.57e+06
assign (resid  93 and name HE21 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.1480 at 1.75e+06
assign (resid  93 and name   HN ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.789  at 5.30e+05
assign (resid  93 and name   HA ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.790  at 3.68e+05
assign (resid  93 and name HE21 ) (resid  97 and name   HA )  4.0  2.2  1.0 ! A.1555 at 1.17e+06
assign (resid  93 and name HE22 ) (resid  97 and name   HA )  4.0  2.2  1.0 ! A.1556 at 1.02e+06
assign (resid  93 and name HE22 ) (resid  97 and name HG2# )  4.0  2.2  1.5 ! A.1567 at 1.48e+06
!assign (resid  93 and name HE21 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1540 at 2.60e+05
!assign (resid  93 and name HE22 ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1541 at 2.34e+05

! L94
assign (resid  94 and name  HB2 ) (resid  94 and name   HN )  4.5  2.2  2.0 ! A.762  at 5.39e+05
assign (resid  94 and name   HG ) (resid  94 and name   HN )  4.0  2.2  1.0 ! A.763  at 1.43e+06
assign (resid  94 and name  HB1 ) (resid  94 and name   HN )  3.5  1.2  0.5 ! A.761  at 4.15e+06
assign (resid  94 and name HD1# ) (resid  94 and name   HN )  2.5  0.7  0.9 ! A.765  at 6.39e+06
assign (resid  94 and name   HN ) (resid  95 and name   HN )  2.5  0.7  0.4 ! A.676  at 6.27e+06
assign (resid  94 and name   HN ) (resid  95 and name   HA )  4.5  2.2  2.0 ! A.759  at 1.96e+05
assign (resid  94 and name  HB1 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1327 at 3.62e+05
assign (resid  94 and name  HB2 ) (resid  96 and name   HN )  4.0  2.2  1.0 ! A.1329 at 1.40e+06

! K95
assign (resid  95 and name  HB2 ) (resid  95 and name   HN )  2.5  0.7  0.4 ! A.797  at 1.12e+07
assign (resid  95 and name  HD1 ) (resid  95 and name   HN )  4.5  2.2  2.0 ! A.798  at 2.15e+05
assign (resid  95 and name  HG1 ) (resid  95 and name   HN )  3.5  1.2  0.5 ! A.800  at 2.27e+06
assign (resid  95 and name  HG1 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1331 at 8.23e+04
assign (resid  95 and name   HN ) (resid  96 and name   HN )  2.5  0.7  0.4 ! A.677  at 4.64e+06
assign (resid  95 and name  HB2 ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1328 at 3.87e+05
assign (resid  95 and name   HA ) (resid  96 and name   HN )  4.5  2.2  2.0 ! A.1324 at 3.28e+05
assign (resid  95 and name  HB1 ) (resid  96 and name   HN )  3.5  1.2  0.5 ! A.1326 at 4.20e+06

! T96
assign (resid  96 and name HG2# ) (resid  96 and name   HN )  3.5  1.2  1.0 ! A.1332 at 4.49e+06
assign (resid  96 and name   HB ) (resid  96 and name   HN )  2.5  0.7  0.4 ! A.1320 at 1.10e+07
assign (resid  96 and name   HA ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.438  at 3.76e+05
assign (resid  96 and name   HN ) (resid  98 and name   HN )  4.5  2.2  2.0 ! A.1315 at 4.66e+05
assign (resid  96 and name HG2# ) (resid  99 and name   HN )  4.5  2.2  2.5 ! A.838  at 4.11e+05
assign (resid  96 and name   HN ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.1316 at 4.47e+05

! T97
assign (resid  97 and name HG2# ) (resid  97 and name   HN )  4.0  2.2  1.5 ! A.425  at 1.41e+06
assign (resid  97 and name   HB ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.436  at 5.06e+06
assign (resid  97 and name   HN ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.408  at 5.05e+06
assign (resid  97 and name HG2# ) (resid  99 and name   HN )  4.5  2.2  2.5 ! A.840  at 3.52e+05
assign (resid  97 and name   HA ) (resid 100 and name   HN )  3.5  1.2  0.5 ! A.513  at 3.54e+06

! I98
assign (resid  98 and name HG11 ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.445  at 1.00e+07
assign (resid  98 and name   HB ) (resid  98 and name   HN )  2.5  0.7  0.4 ! A.443  at 1.72e+07
assign (resid  98 and name   HN ) (resid  99 and name   HN )  3.5  1.2  0.5 ! A.822  at 4.04e+06
assign (resid  98 and name HG2# ) (resid  99 and name   HN )  3.5  1.2  1.0 ! A.839  at 2.53e+06
assign (resid  98 and name   HN ) (resid 101 and name  HD1 )  4.5  2.2  2.0 ! A.434  at 1.49e+05
assign (resid  98 and name   HN ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.441  at 2.05e+05
!assign (resid  98 and name HG2# ) (resid 103 and name   HN )  4.5  2.2  2.5 ! A.944  at 3.91e+05
!assign (resid  98 and name   HA ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1528 at 1.27e+05
!assign (resid  98 and name HG2# ) (resid 103 and name HE22 )  4.5  2.2  2.5 ! A.1538 at 6.37e+05
!assign (resid  98 and name HG2# ) (resid 103 and name HE21 )  4.5  2.2  2.5 ! A.1537 at 6.87e+05

! R99
assign (resid  99 and name  HB1 ) (resid  99 and name   HN )  2.5  0.7  0.4 ! A.834  at 2.06e+07
assign (resid  99 and name  HG1 ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.835  at 1.51e+05
assign (resid  99 and name   HE ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.825  at 1.68e+05
assign (resid  99 and name  HD2 ) (resid  99 and name   HN )  4.5  2.2  2.0 ! A.832  at 4.45e+05
assign (resid  99 and name  HB1 ) (resid 100 and name   HN )  2.5  0.7  0.4 ! A.514  at 9.68e+06
assign (resid  99 and name   HN ) (resid 100 and name   HA )  4.5  2.2  2.0 ! A.828  at 4.38e+05
assign (resid  99 and name   HN ) (resid 100 and name   HN )  3.5  1.2  0.5 ! A.823  at 4.30e+06
assign (resid  99 and name   HA ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.526  at 1.36e+06
!assign (resid  99 and name  HG1 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.941  at 1.99e+05
!assign (resid  99 and name   HA ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.932  at 5.20e+05
!assign (resid  99 and name   HN ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1524 at 2.44e+05
!assign (resid  99 and name  HD2 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1529 at 5.71e+05
!assign (resid  99 and name   HA ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1526 at 2.40e+05
!assign (resid  99 and name   HE ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1525 at 4.47e+05

! A100
assign (resid 100 and name  HB# ) (resid 100 and name   HN )  2.5  0.7  0.9 ! A.504  at 2.19e+07
assign (resid 100 and name  HB# ) (resid 101 and name   HN )  2.5  0.7  0.9 ! A.836  at 8.69e+06
assign (resid 100 and name   HA ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.525  at 3.91e+05
assign (resid 100 and name  HB# ) (resid 102 and name   HN )  3.5  1.2  1.0 ! A.530  at 2.84e+06
assign (resid 100 and name   HN ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.926  at 4.10e+05

! Y101
assign (resid 101 and name  HB1 ) (resid 101 and name   HN )  3.5  1.2  0.5 ! A.960  at 4.18e+06
assign (resid 101 and name  HE1 ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.958  at 1.45e+05
assign (resid 101 and name  HB2 ) (resid 101 and name   HN )  2.5  0.7  0.4 ! A.961  at 6.68e+06
assign (resid 101 and name  HD1 ) (resid 101 and name   HN )  4.5  2.2  2.0 ! A.957  at 1.46e+05
assign (resid 101 and name  HD1 ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.523  at 1.35e+06
assign (resid 101 and name  HB2 ) (resid 102 and name   HN )  3.5  1.2  0.5 ! A.528  at 2.69e+06
assign (resid 101 and name   HA ) (resid 102 and name   HN )  4.0  2.2  1.0 ! A.524  at 1.05e+06
assign (resid 101 and name   HN ) (resid 102 and name   HN )  2.5  0.7  0.4 ! A.821  at 4.53e+06
assign (resid 101 and name   HN ) (resid 102 and name  HB2 )  4.5  2.2  2.0 ! A.962  at 2.91e+05
assign (resid 101 and name   HA ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.930  at 2.90e+05
assign (resid 101 and name   HA ) (resid 104 and name   HN )  4.0  2.2  1.0 ! A.806  at 1.05e+06

! N102
assign (resid 102 and name HD21 ) (resid 102 and name   HN )  4.5  2.2  2.0 ! A.522  at 2.39e+05
assign (resid 102 and name  HB# ) (resid 102 and name   HN )  2.5  0.7  0.9 ! A.529  at 8.97e+06
assign (resid 102 and name  HB2 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1602 at 3.05e+05
assign (resid 102 and name  HB1 ) (resid 102 and name HD22 )  4.5  2.2  2.0 ! A.1601 at 3.59e+05
assign (resid 102 and name  HB1 ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1600 at 2.37e+05
assign (resid 102 and name   HA ) (resid 102 and name HD21 )  4.5  2.2  2.0 ! A.1598 at 3.26e+05
assign (resid 102 and name   HN ) (resid 103 and name   HN )  2.5  0.7  0.4 ! A.924  at 5.02e+06
assign (resid 102 and name  HB2 ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.938  at 8.22e+05
assign (resid 102 and name   HA ) (resid 103 and name   HN )  4.0  2.2  1.0 ! A.935  at 1.41e+06
assign (resid 102 and name   HN ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.531  at 2.79e+05
assign (resid 102 and name   HA ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.809  at 2.55e+05
!assign (resid 102 and name HD21 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1596 at 3.54e+05
!assign (resid 102 and name HD21 ) (resid 105 and name  HB1 )  4.5  2.2  2.0 ! A.1599 at 3.26e+05
!assign (resid 102 and name HD22 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1591 at 3.86e+05
!assign (resid 102 and name HD22 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.1597 at 4.54e+05
!assign (resid 102 and name  HB2 ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1362 at 6.36e+05
!assign (resid 102 and name   HA ) (resid 105 and name   HN )  4.5  2.2  2.0 ! A.1358 at 7.13e+05
!assign (resid 102 and name   HN ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1465 at 2.88e+05
!assign (resid 102 and name HD21 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1469 at 1.86e+05
!assign (resid 102 and name HD22 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1593 at 3.03e+05
!assign (resid 102 and name   HA ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1472 at 1.04e+06

! Q103
assign (resid 103 and name HE22 ) (resid 103 and name   HN )  4.5  2.2  2.0 ! A.929  at 4.32e+05
assign (resid 103 and name HE21 ) (resid 103 and name   HN )  3.5  1.2  0.5 ! A.927  at 3.50e+06
assign (resid 103 and name  HB1 ) (resid 103 and name   HN )  3.5  1.2  0.5 ! A.939  at 3.37e+06
assign (resid 103 and name  HG2 ) (resid 103 and name   HN )  3.5  1.2  0.5 ! A.937  at 3.13e+06
assign (resid 103 and name   HA ) (resid 103 and name HE22 )  4.5  1.2  0.5 ! A.1527 at 1.52e+06 C
assign (resid 103 and name  HG2 ) (resid 103 and name HE21 )  4.5  2.2  2.0 ! A.1530 at 3.68e+05
assign (resid 103 and name  HG1 ) (resid 103 and name HE22 )  4.5  2.2  2.0 ! A.1493 at 4.30e+05
assign (resid 103 and name  HG1 ) (resid 103 and name HE21 )  4.0  2.2  1.0 ! A.1514 at 1.32e+06
assign (resid 103 and name   HN ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.943  at 2.23e+05
assign (resid 103 and name HE22 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.1534 at 7.86e+05
assign (resid 103 and name HE22 ) (resid 104 and name  HG1 )  4.0  2.2  1.0 ! A.1539 at 1.30e+06
assign (resid 103 and name HE22 ) (resid 104 and name  HB2 )  4.0  2.2  1.0 ! A.1536 at 9.52e+05
assign (resid 103 and name HE21 ) (resid 104 and name  HB2 )  4.0  2.2  1.0 ! A.1535 at 1.15e+06
assign (resid 103 and name   HN ) (resid 104 and name   HN )  2.5  0.7  0.4 ! A.803  at 1.23e+07
assign (resid 103 and name HE21 ) (resid 104 and name  HB1 )  4.0  2.2  1.0 ! A.1533 at 1.47e+06
assign (resid 103 and name HE21 ) (resid 106 and name   HN )  4.5  2.2  1.0 ! A.1468 at 9.74e+05

! K104
assign (resid 104 and name  HD2 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.819  at 1.21e+06 C
assign (resid 104 and name  HB2 ) (resid 104 and name   HN )  4.5  2.2  2.0 ! A.816  at 3.46e+05
assign (resid 104 and name   HN ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1287 at 4.17e+06
assign (resid 104 and name  HD1 ) (resid 105 and name   HN )  4.0  2.2  1.0 ! A.1339 at 1.26e+06
assign (resid 104 and name  HG1 ) (resid 105 and name   HN )  4.0  1.2  1.0 ! A.1298 at 1.74e+06
assign (resid 104 and name  HG1 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1481 at 3.48e+05
assign (resid 104 and name  HB1 ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1477 at 1.26e+06
assign (resid 104 and name  HB2 ) (resid 106 and name   HN )  4.5  2.2  2.0 ! A.1478 at 1.73e+05

! Y105
assign (resid 105 and name  HD1 ) (resid 105 and name   HN )  2.5  0.7  0.4 ! A.1353 at 6.25e+06
assign (resid 105 and name  HB2 ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1360 at 3.51e+06
assign (resid 105 and name  HB1 ) (resid 105 and name   HN )  3.5  1.2  0.5 ! A.1359 at 2.94e+06
assign (resid 105 and name  HB2 ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1473 at 1.05e+06
assign (resid 105 and name   HA ) (resid 106 and name   HN )  4.0  2.2  1.0 ! A.1470 at 1.29e+06
assign (resid 105 and name   HN ) (resid 106 and name   HN )  2.5  0.7  0.4 ! A.1466 at 6.63e+06

! G106


!@ END_XPLR_NOE_FILE
! pck2xplr.nawk Table; Input File: cnoeC1C.PCK
!   Date: Fri Jun 27 14:36:18 EDT 2003
!   Path: /home/fengh/My_xplor/ING_new2
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   cnoeC1C.PCK                   536    93    131    189    123
!    Total                          536    93    131    189    123

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! A1
assign (resid   1 and name   HA ) (resid   2 and name   HA )  4.5  2.2  2.0 ! A.61   at 2.47e+06
assign (resid   1 and name  HB# ) (resid   2 and name   HA )  4.5  2.2  2.5 ! A.63   at 7.79e+06

! D2
assign (resid   2 and name   HA ) (resid   3 and name   HA )  4.5  2.2  2.0 ! A.259  at 4.74e+06
assign (resid   2 and name  HB1 ) (resid   3 and name   HA )  3.5  1.2  0.5 ! A.260  at 1.97e+07
assign (resid   2 and name  HB2 ) (resid   3 and name   HA )  4.5  2.2  2.0 ! A.261  at 5.67e+06
assign (resid   2 and name  HB2 ) (resid   3 and name HD2# )  4.5  2.2  2.5 ! A.484  at 4.09e+06

! L3
assign (resid   3 and name   HA ) (resid   3 and name HD2# )  4.0  2.2  1.5 ! A.926  at 1.39e+07
assign (resid   3 and name  HB1 ) (resid   3 and name HD2# )  4.0  2.2  1.5 ! A.928  at 1.34e+07
assign (resid   3 and name  HB1 ) (resid   3 and name HD1# )  3.5  1.2  1.0 ! A.862  at 2.42e+07
assign (resid   3 and name   HA ) (resid   3 and name HD1# )  3.5  1.2  1.0 ! A.861  at 2.40e+07
assign (resid   3 and name  HB1 ) (resid   4 and name   HA )  4.5  2.2  2.0 ! A.99   at 1.94e+06
assign (resid   3 and name   HA ) (resid   6 and name  HB1 )  3.5  1.2  0.5 ! A.262  at 1.77e+07
assign (resid   3 and name HD2# ) (resid   6 and name  HB1 )  4.5  2.2  2.5 ! A.528  at 1.35e+06
assign (resid   3 and name   HA ) (resid   7 and name  HB2 )  4.5  2.2  2.0 ! A.263  at 4.71e+06
assign (resid   3 and name HD2# ) (resid  43 and name   HA )  4.5  2.2  2.5 ! A.927  at 1.62e+06
assign (resid   3 and name HD2# ) (resid  43 and name  HB# )  3.5  1.2  1.5 ! A.930  at 2.24e+07
assign (resid   3 and name   HA ) (resid  43 and name  HB# )  4.0  2.2  1.5 ! A.265  at 9.85e+06
assign (resid   3 and name HD1# ) (resid  43 and name  HB# )  3.5  1.2  1.5 ! A.771  at 4.23e+07
assign (resid   3 and name HD1# ) (resid  43 and name   HA )  3.5  1.2  1.0 ! A.106  at 1.96e+07
assign (resid   3 and name   HG ) (resid  45 and name   HA )  4.5  2.2  2.0 ! A.813  at 1.61e+06
assign (resid   3 and name  HB1 ) (resid  45 and name  HD1 )  4.5  2.2  2.0 ! A.708  at 1.02e+06
assign (resid   3 and name  HB2 ) (resid  45 and name  HB1 )  4.5  2.2  2.0 ! A.727  at 4.57e+06

! E4
assign (resid   4 and name  HB2 ) (resid   5 and name   HA )  3.5  1.2  0.5 ! A.578  at 1.63e+07
assign (resid   4 and name   HA ) (resid   6 and name  HB1 )  4.5  2.2  2.0 ! A.100  at 5.03e+06

! D5

! N6
assign (resid   6 and name  HB1 ) (resid   9 and name   HB )  4.5  2.2  2.0 ! A.527  at 9.03e+05
assign (resid   6 and name  HB2 ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.545  at 2.63e+06
assign (resid   6 and name  HB1 ) (resid  40 and name   HA )  4.0  2.2  1.0 ! A.319  at 8.31e+06
assign (resid   6 and name  HB1 ) (resid  43 and name  HB# )  4.5  2.2  2.5 ! A.770  at 5.37e+06

! W7
assign (resid   7 and name   HA ) (resid   8 and name  HB1 )  4.5  2.2  2.0 ! A.576  at 7.65e+06
assign (resid   7 and name   HA ) (resid  10 and name HD2# )  3.5  1.2  1.0 ! A.888  at 2.18e+07
assign (resid   7 and name   HA ) (resid  10 and name   HG )  3.5  1.2  0.5 ! A.21   at 2.91e+07
assign (resid   7 and name  HB1 ) (resid  10 and name HD2# )  4.5  2.2  2.5 ! A.889  at 2.62e+06
assign (resid   7 and name  HB1 ) (resid  11 and name  HB2 )  4.0  2.2  1.0 ! A.351  at 9.05e+06
assign (resid   7 and name   HA ) (resid  11 and name  HB1 )  4.5  2.2  2.0 ! A.19   at 8.89e+06
assign (resid   7 and name  HB2 ) (resid  11 and name  HB2 )  4.5  2.2  2.0 ! A.466  at 4.74e+06

! E8
assign (resid   8 and name  HG2 ) (resid   8 and name   HA )  3.5  1.2  0.5 ! A.138  at 3.14e+07
assign (resid   8 and name   HA ) (resid   8 and name  HG1 )  3.5  1.2  0.5 ! A.513  at 2.22e+07
assign (resid   8 and name  HB1 ) (resid   9 and name   HB )  4.5  2.2  2.0 ! A.575  at 2.36e+06
assign (resid   8 and name  HG2 ) (resid   9 and name   HA )  3.5  1.2  0.5 ! A.209  at 1.97e+07
assign (resid   8 and name   HA ) (resid  11 and name  HB1 )  3.5  1.2  0.5 ! A.459  at 1.75e+07
assign (resid   8 and name  HB1 ) (resid  11 and name  HB1 )  4.0  2.2  1.0 ! A.580  at 8.04e+06
assign (resid   8 and name  HB1 ) (resid  12 and name  HB1 )  4.0  2.2  1.0 ! A.461  at 8.01e+06
assign (resid   8 and name  HG2 ) (resid  12 and name  HB1 )  3.5  1.2  0.5 ! A.524  at 1.58e+07

! T9
assign (resid   9 and name HG2# ) (resid  10 and name  HB2 )  4.0  2.2  1.5 ! A.678  at 1.01e+07
assign (resid   9 and name HG2# ) (resid  10 and name   HA )  4.0  2.2  1.5 ! A.846  at 9.99e+06
assign (resid   9 and name   HB ) (resid  12 and name  HB1 )  4.5  2.2  2.0 ! A.457  at 2.84e+06
assign (resid   9 and name HG2# ) (resid  12 and name  HB1 )  4.0  2.2  1.5 ! A.462  at 9.14e+06
assign (resid   9 and name   HA ) (resid  12 and name  HB2 )  4.5  2.2  2.0 ! A.458  at 6.50e+06
assign (resid   9 and name   HA ) (resid  12 and name  HB1 )  3.5  1.2  0.5 ! A.163  at 3.51e+07
assign (resid   9 and name HG2# ) (resid  13 and name  HB2 )  4.0  2.2  1.5 ! A.532  at 1.20e+07
assign (resid   9 and name   HA ) (resid  32 and name  HB1 )  4.5  2.2  2.0 ! A.637  at 1.58e+06

! L10
assign (resid  10 and name HD1# ) (resid  40 and name  HB# )  4.5  2.2  3.0 ! A.934  at 6.59e+06

! N11

! D12

! N13
assign (resid  13 and name  HB1 ) (resid  14 and name HD1# )  3.5  1.2  1.0 ! A.504  at 2.95e+07
assign (resid  13 and name   HA ) (resid  16 and name HG1# )  3.5  1.2  1.0 ! A.68   at 3.48e+07
assign (resid  13 and name   HA ) (resid  16 and name   HA )  4.5  2.2  2.0 ! A.323  at 6.99e+06
assign (resid  13 and name   HA ) (resid  16 and name HG2# )  4.0  2.2  1.5 ! A.69   at 1.06e+07
assign (resid  13 and name  HB1 ) (resid  17 and name HG12 )  4.0  2.2  1.0 ! A.880  at 1.19e+07
assign (resid  13 and name  HB1 ) (resid  17 and name   HB )  4.5  2.2  2.0 ! A.503  at 2.45e+06
assign (resid  13 and name   HA ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.70   at 8.39e+06
assign (resid  13 and name  HB1 ) (resid  29 and name   HA )  4.5  2.2  2.0 ! A.500  at 6.20e+06
assign (resid  13 and name  HB1 ) (resid  29 and name  HB# )  3.5  1.2  1.0 ! A.498  at 1.86e+07
assign (resid  13 and name  HB1 ) (resid  33 and name   HA )  4.5  2.2  2.0 ! A.501  at 9.19e+05
assign (resid  13 and name  HB2 ) (resid  33 and name   HA )  4.0  2.2  1.0 ! A.529  at 1.46e+07
assign (resid  13 and name  HB1 ) (resid  33 and name  HB1 )  4.5  2.2  2.0 ! A.492  at 7.22e+06
assign (resid  13 and name   HA ) (resid  33 and name  HG1 )  4.5  2.2  2.0 ! A.66   at 4.58e+06

! L14
assign (resid  14 and name HD1# ) (resid  14 and name  HB2 )  2.5  0.7  0.9 ! A.707  at 9.93e+07
assign (resid  14 and name   HA ) (resid  17 and name   HA )  4.5  2.2  2.0 ! A.168  at 5.90e+06
assign (resid  14 and name   HA ) (resid  17 and name   HB )  3.5  1.2  0.5 ! A.641  at 4.41e+07
assign (resid  14 and name HD2# ) (resid  17 and name   HB )  3.0  0.7  0.9 ! A.642  at 1.16e+08
assign (resid  14 and name HD2# ) (resid  91 and name   HA )  2.5  0.7  0.9 ! A.201  at 5.72e+07
assign (resid  14 and name  HB1 ) (resid  91 and name  HB# )  3.5  1.2  1.0 ! A.651  at 2.26e+07
assign (resid  14 and name HD1# ) (resid  95 and name  HD1 )  4.0  2.2  1.5 ! A.890  at 1.38e+07
assign (resid  14 and name HD1# ) (resid  95 and name  HE1 )  3.5  1.2  1.0 ! A.439  at 2.84e+07

! K15
assign (resid  15 and name  HE1 ) (resid  15 and name   HA )  4.0  1.2  1.0 ! A.173  at 1.72e+07 C
assign (resid  15 and name  HB1 ) (resid  15 and name  HE1 )  3.5  1.2  0.5 ! A.448  at 2.06e+07
assign (resid  15 and name  HG2 ) (resid  15 and name   HA )  3.5  1.2  0.5 ! A.175  at 1.72e+07
assign (resid  15 and name  HE1 ) (resid  16 and name   HA )  4.5  2.2  2.0 ! A.446  at 2.94e+06
assign (resid  15 and name  HE1 ) (resid  16 and name HG1# )  3.5  1.2  1.0 ! A.853  at 2.39e+07
assign (resid  15 and name  HD1 ) (resid  16 and name   HA )  4.5  2.2  2.0 ! A.328  at 7.01e+06
assign (resid  15 and name  HG2 ) (resid  16 and name   HA )  4.5  2.2  2.0 ! A.330  at 4.09e+06
assign (resid  15 and name   HA ) (resid  17 and name   HB )  4.0  2.2  1.0 ! A.174  at 1.47e+07
assign (resid  15 and name  HG2 ) (resid  18 and name  HG1 )  4.0  2.2  1.0 ! A.802  at 9.44e+06
assign (resid  15 and name   HA ) (resid  18 and name  HG2 )  4.0  2.2  1.0 ! A.165  at 1.25e+07
assign (resid  15 and name  HG1 ) (resid  19 and name  HE1 )  3.5  1.2  0.5 ! A.438  at 3.00e+07
assign (resid  15 and name  HG2 ) (resid  19 and name  HD1 )  4.5  2.2  2.0 ! A.726  at 2.38e+06
assign (resid  15 and name  HG2 ) (resid  19 and name   HA )  4.5  1.2  1.0 ! A.97   at 1.98e+07 C

! V16
assign (resid  16 and name HG2# ) (resid  16 and name   HA )  3.5  1.2  1.0 ! A.331  at 2.06e+07
assign (resid  16 and name   HA ) (resid  19 and name   HA )  4.5  2.2  2.0 ! A.324  at 5.31e+06
assign (resid  16 and name   HA ) (resid  19 and name  HD1 )  4.5  2.2  2.0 ! A.724  at 3.81e+06
assign (resid  16 and name HG1# ) (resid  20 and name  HB# )  3.5  1.2  1.5 ! A.855  at 3.63e+07
assign (resid  16 and name HG1# ) (resid  20 and name   HA )  3.5  1.2  1.0 ! A.171  at 2.82e+07
assign (resid  16 and name   HB ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.566  at 2.57e+06
assign (resid  16 and name   HB ) (resid  29 and name  HB# )  3.5  1.2  1.0 ! A.569  at 2.72e+07

! I17
assign (resid  17 and name   HA ) (resid  17 and name HG12 )  4.0  2.2  1.0 ! A.878  at 1.10e+07
assign (resid  17 and name   HA ) (resid  18 and name   HA )  4.5  2.2  2.0 ! A.217  at 5.17e+06
assign (resid  17 and name   HB ) (resid  18 and name   HA )  4.0  2.2  1.0 ! A.194  at 1.32e+07
assign (resid  17 and name   HA ) (resid  20 and name  HB# )  4.5  2.2  2.5 ! A.804  at 7.66e+06
assign (resid  17 and name   HB ) (resid  20 and name  HB# )  4.0  2.2  1.5 ! A.807  at 1.32e+07
assign (resid  17 and name   HB ) (resid  26 and name HG2# )  4.5  2.2  2.5 ! A.902  at 6.05e+06
assign (resid  17 and name HG12 ) (resid  29 and name   HA )  4.0  2.2  1.0 ! A.879  at 8.36e+06
assign (resid  17 and name   HB ) (resid  29 and name  HB# )  4.0  2.2  1.5 ! A.757  at 1.28e+07
assign (resid  17 and name HG12 ) (resid  30 and name   HG )  3.5  1.2  0.5 ! A.774  at 3.59e+07
assign (resid  17 and name   HB ) (resid  91 and name  HB# )  3.5  1.2  1.0 ! A.592  at 2.84e+07

! E18
assign (resid  18 and name   HA ) (resid  18 and name  HG1 )  3.5  1.2  0.5 ! A.561  at 2.74e+07
assign (resid  18 and name  HG1 ) (resid  88 and name   HA )  4.0  2.2  1.0 ! A.560  at 1.33e+07
assign (resid  18 and name  HG1 ) (resid  91 and name  HB# )  4.0  2.2  1.5 ! A.759  at 1.24e+07
!assign (resid  18 and name  HG1 ) (resid  95 and name  HE1 )  4.0  2.2  1.0 ! A.562  at 1.03e+07

! K19
assign (resid  19 and name   HA ) (resid  19 and name  HD1 )  3.5  1.2  0.5 ! A.725  at 2.23e+07
assign (resid  19 and name  HE1 ) (resid  19 and name   HA )  4.0  1.2  1.0 ! A.95   at 4.39e+07 C
assign (resid  19 and name  HE1 ) (resid  19 and name  HB2 )  2.5  0.7  0.4 ! A.632  at 6.50e+07
assign (resid  19 and name   HA ) (resid  20 and name  HB# )  4.0  2.2  1.5 ! A.98   at 8.26e+06
assign (resid  19 and name   HA ) (resid  21 and name   HA )  4.5  2.2  2.0 ! A.16   at 2.85e+06

! A20
assign (resid  20 and name  HB# ) (resid  22 and name   HA )  4.5  2.2  2.5 ! A.8    at 3.63e+06
assign (resid  20 and name   HA ) (resid  25 and name  HG1 )  3.5  1.2  0.5 ! A.170  at 4.10e+07
assign (resid  20 and name  HB# ) (resid  25 and name  HB1 )  3.5  1.2  1.0 ! A.808  at 1.60e+07
assign (resid  20 and name  HB# ) (resid  25 and name  HG1 )  3.5  1.2  1.0 ! A.574  at 2.45e+07
assign (resid  20 and name   HA ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.341  at 3.59e+06
assign (resid  20 and name  HB# ) (resid  26 and name HG1# )  4.0  2.2  2.0 ! A.809  at 1.08e+07
assign (resid  20 and name  HB# ) (resid  26 and name   HA )  4.5  2.2  2.5 ! A.777  at 2.97e+06
!assign (resid  20 and name  HB# ) (resid  88 and name  HB2 )  3.5  1.2  1.0 ! A.670  at 1.96e+07

! D21

! N22
assign (resid  22 and name   HA ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.278  at 4.19e+06
assign (resid  22 and name  HB1 ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.440  at 4.14e+06
assign (resid  22 and name  HB2 ) (resid  23 and name   HA )  4.5  2.2  2.0 ! A.464  at 4.42e+06
assign (resid  22 and name   HA ) (resid  23 and name  HB# )  4.0  2.2  1.5 ! A.9    at 8.31e+06
assign (resid  22 and name   HA ) (resid  25 and name  HG1 )  4.5  2.2  2.0 ! A.5    at 2.86e+06
!assign (resid  22 and name  HB1 ) (resid  25 and name  HG1 )  3.5  1.2  0.5 ! A.442  at 1.94e+07
assign (resid  22 and name   HA ) (resid  26 and name HG2# )  3.5  1.2  1.0 ! A.7    at 2.05e+07
assign (resid  22 and name   HA ) (resid  84 and name   HB )  4.5  2.2  2.0 ! A.6    at 2.84e+06
assign (resid  22 and name   HA ) (resid  84 and name HG2# )  4.0  2.2  1.5 ! A.901  at 1.29e+07

! A23
assign (resid  23 and name   HA ) (resid  26 and name   HB )  3.5  1.2  0.5 ! A.604  at 1.88e+07
assign (resid  23 and name  HB# ) (resid  26 and name   HB )  3.5  1.2  1.0 ! A.801  at 1.69e+07
assign (resid  23 and name   HA ) (resid  79 and name   HA )  3.5  0.7  0.4 ! A.277  at 1.04e+08 C
assign (resid  23 and name  HB# ) (resid  84 and name HG2# )  3.5  1.2  1.5 ! A.919  at 4.24e+07
assign (resid  23 and name   HA ) (resid  84 and name HG1# )  3.5  1.2  1.0 ! A.900  at 2.36e+07

! A24
assign (resid  24 and name  HB# ) (resid  25 and name  HG1 )  4.0  2.2  1.5 ! A.541  at 1.45e+07

! Q25
assign (resid  25 and name   HA ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.340  at 1.48e+06
assign (resid  25 and name  HB1 ) (resid  26 and name   HA )  4.5  2.2  2.0 ! A.345  at 1.11e+06
assign (resid  25 and name   HA ) (resid  28 and name  HB2 )  4.0  2.2  1.0 ! A.495  at 1.45e+07

! V26
assign (resid  26 and name HG1# ) (resid  27 and name   HA )  3.5  1.2  1.0 ! A.858  at 3.14e+07
assign (resid  26 and name   HB ) (resid  27 and name   HA )  3.5  1.2  0.5 ! A.603  at 1.86e+07
assign (resid  26 and name HG2# ) (resid  27 and name  HD1 )  4.5  2.2  2.5 ! A.904  at 2.59e+06
assign (resid  26 and name   HA ) (resid  27 and name  HG1 )  4.5  2.2  2.0 ! A.346  at 6.63e+06
assign (resid  26 and name   HA ) (resid  28 and name  HB2 )  4.0  2.2  1.0 ! A.343  at 1.21e+07
assign (resid  26 and name   HA ) (resid  29 and name  HB# )  4.5  2.2  2.5 ! A.743  at 3.74e+06
assign (resid  26 and name   HA ) (resid  30 and name  HB2 )  4.5  2.2  2.0 ! A.342  at 2.41e+06
assign (resid  26 and name HG2# ) (resid  79 and name   HA )  4.5  2.2  2.5 ! A.899  at 4.35e+06
assign (resid  26 and name   HB ) (resid  79 and name   HA )  4.0  2.2  1.0 ! A.288  at 1.15e+07
assign (resid  26 and name   HB ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.608  at 8.73e+06
assign (resid  26 and name   HB ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.374  at 8.35e+06
assign (resid  26 and name HG1# ) (resid  87 and name   HA )  4.0  2.2  1.5 ! A.185  at 1.40e+07
assign (resid  26 and name HG1# ) (resid  87 and name  HB# )  2.5  0.7  1.4 ! A.860  at 6.57e+07

! K27
assign (resid  27 and name  HE2 ) (resid  27 and name  HB1 )  3.5  1.2  0.5 ! A.669  at 2.23e+07
assign (resid  27 and name   HA ) (resid  28 and name   HA )  4.5  2.2  2.0 ! A.77   at 2.35e+06
assign (resid  27 and name  HB1 ) (resid  28 and name   HA )  3.5  1.2  0.5 ! A.657  at 2.23e+07
assign (resid  27 and name   HA ) (resid  28 and name  HB2 )  4.5  2.2  2.0 ! A.283  at 7.27e+06
assign (resid  27 and name   HA ) (resid  30 and name  HB2 )  3.5  1.2  0.5 ! A.676  at 2.22e+07
assign (resid  27 and name   HA ) (resid  79 and name  HB# )  4.0  2.2  1.5 ! A.824  at 1.24e+07
assign (resid  27 and name  HG1 ) (resid  80 and name   HA )  4.0  1.2  1.0 ! A.744  at 2.27e+07 C
assign (resid  27 and name  HB1 ) (resid  80 and name   HA )  4.0  1.2  1.0 ! A.618  at 2.53e+07 C
assign (resid  27 and name  HG1 ) (resid  80 and name  HB1 )  4.0  1.2  1.0 ! A.747  at 1.68e+07

! D28
assign (resid  28 and name  HB2 ) (resid  29 and name   HA )  3.5  1.2  0.5 ! A.145  at 2.66e+07
assign (resid  28 and name  HB1 ) (resid  32 and name  HG1 )  4.0  2.2  1.0 ! A.740  at 1.24e+07
assign (resid  28 and name   HA ) (resid  32 and name  HG1 )  4.0  2.2  1.0 ! A.120  at 1.48e+07

! A29

! L30
assign (resid  30 and name  HB2 ) (resid  30 and name HD1# )  4.0  2.2  1.5 ! A.893  at 1.36e+07
assign (resid  30 and name HD1# ) (resid  30 and name  HB1 )  2.5  0.7  0.9 ! A.645  at 1.32e+08
assign (resid  30 and name   HA ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.193  at 1.92e+06
assign (resid  30 and name  HB1 ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.312  at 1.71e+06
assign (resid  30 and name HD1# ) (resid  72 and name HG2# )  2.5  0.7  1.4 ! A.895  at 3.36e+08
assign (resid  30 and name HD1# ) (resid  76 and name  HB1 )  4.0  2.2  1.5 ! A.894  at 9.26e+06
assign (resid  30 and name  HB1 ) (resid  79 and name  HB# )  3.5  1.2  1.0 ! A.826  at 3.62e+07
assign (resid  30 and name HD1# ) (resid  79 and name  HB# )  2.5  0.7  1.4 ! A.812  at 1.06e+08

! T31
assign (resid  31 and name   HB ) (resid  32 and name  HD1 )  4.5  2.2  2.0 ! A.722  at 2.26e+06
assign (resid  31 and name   HA ) (resid  32 and name  HB2 )  4.5  2.2  2.0 ! A.706  at 2.92e+06
assign (resid  31 and name   HB ) (resid  32 and name  HB2 )  3.5  1.2  0.5 ! A.78   at 1.96e+07

! K32
assign (resid  32 and name  HG1 ) (resid  32 and name   HA )  3.5  1.2  0.5 ! A.192  at 1.61e+07
assign (resid  32 and name  HB1 ) (resid  35 and name  HB# )  3.5  1.2  1.0 ! A.796  at 2.84e+07

! M33
assign (resid  33 and name   HA ) (resid  36 and name  HB# )  4.0  2.2  1.5 ! A.793  at 1.44e+07

! R34
assign (resid  34 and name  HD1 ) (resid  34 and name   HA )  4.5  2.2  2.0 ! A.299  at 1.23e+06
assign (resid  34 and name  HG1 ) (resid  34 and name   HA )  3.5  1.2  0.5 ! A.300  at 2.26e+07
assign (resid  34 and name   HA ) (resid  37 and name  HB# )  3.5  1.2  1.0 ! A.303  at 2.27e+07
assign (resid  34 and name   HA ) (resid  38 and name   HG )  4.5  2.2  2.0 ! A.301  at 3.40e+06
assign (resid  34 and name  HG1 ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.666  at 1.51e+06
assign (resid  34 and name   HA ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.354  at 1.82e+06
assign (resid  34 and name  HG1 ) (resid  70 and name  HA2 )  4.5  2.2  2.0 ! A.667  at 2.46e+06
assign (resid  34 and name  HD1 ) (resid  73 and name  HB2 )  3.5  1.2  0.5 ! A.454  at 4.07e+07
assign (resid  34 and name  HD1 ) (resid  76 and name  HB1 )  4.5  2.2  2.0 ! A.397  at 2.63e+06
assign (resid  34 and name  HD1 ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.398  at 1.82e+07

! A35

! A36
assign (resid  36 and name   HA ) (resid  39 and name  HB1 )  3.5  1.2  0.5 ! A.191  at 2.21e+07
assign (resid  36 and name  HB# ) (resid  39 and name  HB1 )  4.5  2.2  2.5 ! A.803  at 1.58e+06

! A37
assign (resid  37 and name   HA ) (resid  40 and name  HB# )  4.0  2.2  1.5 ! A.275  at 1.50e+07
assign (resid  37 and name   HA ) (resid  41 and name   HA )  4.5  2.2  2.0 ! A.380  at 2.24e+06
assign (resid  37 and name  HB# ) (resid  69 and name   HA )  4.5  2.2  2.5 ! A.792  at 2.63e+06

! L38
assign (resid  38 and name   HA ) (resid  38 and name HD2# )  3.5  1.2  1.0 ! A.908  at 2.88e+07
assign (resid  38 and name HD2# ) (resid  38 and name  HB1 )  2.5  0.7  0.9 ! A.713  at 7.20e+07
assign (resid  38 and name  HB2 ) (resid  38 and name HD2# )  2.5  0.7  0.9 ! A.877  at 4.96e+07
assign (resid  38 and name   HA ) (resid  41 and name  HB2 )  4.0  1.2  1.0 ! A.246  at 2.39e+07 C

! D39
assign (resid  39 and name  HB1 ) (resid  40 and name   HA )  4.5  2.2  2.0 ! A.318  at 2.50e+06
assign (resid  39 and name  HB1 ) (resid  40 and name  HB# )  4.5  2.2  2.5 ! A.933  at 1.70e+06
assign (resid  39 and name   HA ) (resid  41 and name  HB2 )  4.0  1.2  1.0 ! A.125  at 3.51e+07 C
assign (resid  39 and name   HA ) (resid  42 and name  HE1 )  4.5  2.2  2.0 ! A.435  at 6.23e+06

! A40
assign (resid  40 and name  HB# ) (resid  41 and name   HA )  4.5  2.2  2.5 ! A.385  at 3.95e+06
assign (resid  40 and name   HA ) (resid  42 and name  HB2 )  4.0  2.2  1.0 ! A.320  at 9.34e+06
assign (resid  40 and name   HA ) (resid  43 and name  HB# )  4.0  2.2  1.5 ! A.321  at 1.42e+07
assign (resid  40 and name   HA ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.317  at 3.80e+06

! Q41
assign (resid  41 and name   HA ) (resid  42 and name  HB2 )  4.5  2.2  2.0 ! A.382  at 3.52e+06
assign (resid  41 and name  HB2 ) (resid  42 and name  HB2 )  4.5  2.2  2.0 ! A.736  at 1.31e+07 C
assign (resid  41 and name  HG1 ) (resid  42 and name  HG1 )  4.5  2.2  2.0 ! A.522  at 3.90e+06
assign (resid  41 and name  HG1 ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.564  at 7.82e+06
assign (resid  41 and name  HB2 ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.732  at 2.33e+06
assign (resid  41 and name   HA ) (resid  62 and name   HA )  4.5  2.2  2.0 ! A.244  at 3.33e+06
assign (resid  41 and name  HG2 ) (resid  65 and name   HA )  4.5  2.2  2.0 ! A.599  at 1.84e+06
assign (resid  41 and name   HA ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.523  at 1.68e+06
assign (resid  41 and name   HA ) (resid  65 and name  HB1 )  3.5  1.2  0.5 ! A.381  at 2.12e+07
assign (resid  41 and name  HB2 ) (resid  65 and name  HB2 )  4.0  2.2  1.0 ! A.735  at 1.27e+07

! K42
assign (resid  42 and name   HA ) (resid  42 and name  HE1 )  4.5  2.2  2.0 ! A.436  at 4.39e+06
assign (resid  42 and name  HG1 ) (resid  42 and name  HE1 )  3.5  1.2  0.5 ! A.432  at 4.34e+07
assign (resid  42 and name  HB1 ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.664  at 5.49e+06
assign (resid  42 and name  HB2 ) (resid  43 and name   HA )  4.5  2.2  2.0 ! A.716  at 4.05e+06

! A43
assign (resid  43 and name  HB# ) (resid  44 and name   HA )  4.0  2.2  1.5 ! A.765  at 1.17e+07
assign (resid  43 and name  HB# ) (resid  45 and name  HD1 )  4.5  2.2  2.5 ! A.769  at 4.57e+06

! T44
assign (resid  44 and name   HA ) (resid  44 and name HG2# )  3.5  1.2  1.0 ! A.847  at 1.51e+07
assign (resid  44 and name   HA ) (resid  45 and name  HB2 )  4.5  2.2  2.0 ! A.691  at 6.18e+06
assign (resid  44 and name HG2# ) (resid  45 and name  HD1 )  4.0  2.2  1.5 ! A.848  at 9.99e+06
assign (resid  44 and name HG2# ) (resid  46 and name  HD1 )  3.5  1.2  1.0 ! A.234  at 2.69e+07
assign (resid  44 and name   HB ) (resid  47 and name  HG1 )  4.5  2.2  2.0 ! A.787  at -2.30e+06
assign (resid  44 and name HG2# ) (resid  48 and name   HA )  4.5  2.2  2.5 ! A.52   at 1.53e+06
assign (resid  44 and name   HB ) (resid  48 and name  HB1 )  4.5  2.2  2.0 ! A.83   at 2.66e+06

! P45
assign (resid  45 and name  HD1 ) (resid  45 and name   HA )  3.5  1.2  0.5 ! A.103  at 1.96e+07
assign (resid  45 and name  HG1 ) (resid  45 and name   HA )  3.5  1.2  0.5 ! A.105  at 2.98e+07
assign (resid  45 and name  HG1 ) (resid  46 and name  HD1 )  3.5  1.2  0.5 ! A.626  at 3.63e+07
assign (resid  45 and name  HB2 ) (resid  46 and name   HA )  4.5  2.2  2.0 ! A.675  at 4.02e+06

! P46
assign (resid  46 and name  HB2 ) (resid  46 and name  HD1 )  3.5  1.2  0.5 ! A.232  at 1.95e+07
assign (resid  46 and name   HA ) (resid  47 and name  HG1 )  4.5  2.2  2.0 ! A.785  at 2.07e+06
assign (resid  46 and name  HD1 ) (resid  47 and name  HG1 )  4.5  2.2  2.0 ! A.233  at 6.46e+06
assign (resid  46 and name  HB1 ) (resid  51 and name  HE1 )  4.0  2.2  1.0 ! A.434  at 1.38e+07

! K47
assign (resid  47 and name   HA ) (resid  47 and name  HE1 )  4.5  2.2  2.0 ! A.445  at 6.54e+06
assign (resid  47 and name  HG1 ) (resid  47 and name   HA )  3.5  1.2  0.5 ! A.88   at 2.04e+07
assign (resid  47 and name  HG1 ) (resid  50 and name  HB1 )  4.5  2.2  2.0 ! A.493  at 2.95e+06
assign (resid  47 and name  HG1 ) (resid  50 and name  HB2 )  4.5  2.2  2.0 ! A.499  at 3.13e+06
!assign (resid  47 and name  HB1 ) (resid  50 and name   HA )  4.5  2.2  2.0 ! A.36   at 5.28e+06
assign (resid  47 and name  HB1 ) (resid  50 and name  HB2 )  3.5  1.2  0.5 ! A.478  at 2.22e+07

! L48
assign (resid  48 and name   HA ) (resid  48 and name HD1# )  3.5  1.2  1.0 ! A.897  at 2.20e+07
assign (resid  48 and name   HA ) (resid  48 and name HD2# )  4.5  2.2  2.5 ! A.922  at 5.44e+06
assign (resid  48 and name HD1# ) (resid  48 and name  HB1 )  2.5  0.7  0.9 ! A.752  at 1.13e+08
assign (resid  48 and name   HA ) (resid  51 and name  HD2 )  4.5  2.2  2.0 ! A.49   at 1.06e+06
assign (resid  48 and name HD2# ) (resid  53 and name   HA )  4.5  2.2  2.5 ! A.116  at 1.09e+06
assign (resid  48 and name  HB1 ) (resid  53 and name  HB1 )  4.5  2.2  2.0 ! A.557  at 6.50e+06
assign (resid  48 and name HD2# ) (resid  53 and name  HB1 )  4.5  2.2  2.5 ! A.559  at 2.13e+06
assign (resid  48 and name   HA ) (resid  53 and name  HB1 )  4.5  2.2  2.0 ! A.48   at 4.28e+06
assign (resid  48 and name HD2# ) (resid  58 and name   HA )  4.5  2.2  2.5 ! A.921  at 4.56e+06
assign (resid  48 and name HD1# ) (resid  58 and name   HA )  4.5  2.2  2.5 ! A.896  at 4.70e+06
assign (resid  48 and name HD2# ) (resid  58 and name  HB1 )  4.0  2.2  1.5 ! A.925  at 1.16e+07
assign (resid  48 and name HD1# ) (resid  61 and name  HB1 )  4.0  1.2  1.5 ! A.474  at 2.14e+07
assign (resid  48 and name HD2# ) (resid  61 and name  HB2 )  3.5  1.2  1.0 ! A.482  at 2.26e+07

! E49

! D50
assign (resid  50 and name   HA ) (resid  51 and name  HB2 )  4.5  2.2  2.0 ! A.35   at 8.38e+06
!assign (resid  50 and name   HA ) (resid  51 and name  HB1 )  4.0  2.2  1.0 ! A.649  at 1.35e+07

! K51
assign (resid  51 and name   HA ) (resid  51 and name  HD1 )  4.5  1.2  1.0 ! A.742  at 2.14e+07
assign (resid  51 and name  HB1 ) (resid  51 and name  HE1 )  3.5  1.2  0.5 ! A.427  at 3.83e+07
assign (resid  51 and name  HG1 ) (resid  52 and name  HB1 )  4.5  2.2  2.0 ! A.819  at 1.16e+06
assign (resid  51 and name  HD1 ) (resid  52 and name  HB1 )  4.5  2.2  2.0 ! A.741  at 3.86e+06
!assign (resid  51 and name  HB1 ) (resid  52 and name   HA )  4.0  2.2  1.0 ! A.26   at 1.20e+07
assign (resid  51 and name  HB2 ) (resid  52 and name   HA )  4.5  2.2  2.0 ! A.672  at 5.62e+06

! S52
assign (resid  52 and name   HA ) (resid  53 and name  HG1 )  4.0  2.2  1.0 ! A.27   at 9.66e+06

! P53
assign (resid  53 and name  HD1 ) (resid  53 and name  HB2 )  3.5  1.2  0.5 ! A.598  at 2.66e+07
assign (resid  53 and name  HG2 ) (resid  53 and name   HA )  4.0  2.2  1.0 ! A.115  at 1.24e+07
assign (resid  53 and name   HA ) (resid  54 and name   HA )  4.5  2.2  2.0 ! A.22   at 2.36e+06
assign (resid  53 and name  HG2 ) (resid  54 and name   HA )  3.5  1.2  0.5 ! A.673  at 2.71e+07
assign (resid  53 and name  HG1 ) (resid  54 and name   HA )  4.5  2.2  2.0 ! A.625  at 1.44e+07
assign (resid  53 and name  HB1 ) (resid  58 and name  HG1 )  4.5  2.2  2.0 ! A.558  at 7.09e+06
assign (resid  53 and name   HA ) (resid  58 and name  HG1 )  4.5  2.2  2.0 ! A.113  at 4.31e+06

! D54
assign (resid  54 and name   HA ) (resid  55 and name  HB1 )  4.0  2.2  1.0 ! A.23   at 8.03e+06
assign (resid  54 and name  HB1 ) (resid  55 and name  HB2 )  4.5  2.2  2.0 ! A.468  at 4.82e+06
assign (resid  54 and name  HB1 ) (resid  56 and name  HD1 )  4.5  2.2  2.0 ! A.490  at 3.42e+06

! S55
assign (resid  55 and name   HA ) (resid  56 and name  HD1 )  3.5  1.2  0.5 ! A.205  at 4.21e+07
assign (resid  55 and name   HA ) (resid  58 and name  HG1 )  4.0  2.2  1.0 ! A.56   at 1.06e+07
!assign (resid  55 and name   HA ) (resid  58 and name  HB1 )  4.0  1.2  1.0 ! A.58   at 2.35e+07 C
!assign (resid  55 and name  HB2 ) (resid  59 and name  HB2 )  4.0  2.2  1.0 ! A.153  at 1.36e+07

! P56
assign (resid  56 and name  HB1 ) (resid  59 and name  HB1 )  2.5  0.7  0.4 ! A.550  at 1.53e+08
assign (resid  56 and name   HA ) (resid  59 and name  HD1 )  4.5  2.2  2.0 ! A.700  at 3.10e+06
assign (resid  56 and name  HB1 ) (resid  59 and name  HD2 )  4.0  2.2  1.0 ! A.520  at 1.35e+07
!assign (resid  56 and name   HA ) (resid  60 and name   HA )  4.0  2.2  1.0 ! A.140  at 1.05e+07
assign (resid  56 and name   HA ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.141  at 1.24e+07
assign (resid  56 and name  HB1 ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.423  at 8.47e+06
assign (resid  56 and name   HA ) (resid  60 and name  HB2 )  4.5  2.2  2.0 ! A.419  at 4.66e+06

! E57
!assign (resid  57 and name   HA ) (resid  60 and name  HB2 )  4.5  2.2  2.0 ! A.450  at 2.21e+06
!assign (resid  57 and name  HG2 ) (resid  60 and name  HB1 )  4.5  2.2  2.0 ! A.533  at 5.21e+06

! M58
assign (resid  58 and name  HG# ) (resid  61 and name  HB2 )  4.0  2.2  1.5 ! A.481  at 1.45e+07
assign (resid  58 and name  HG1 ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.387  at 4.79e+06

! K59
assign (resid  59 and name  HE1 ) (resid  59 and name  HG1 )  3.5  1.2  0.5 ! A.784  at 3.54e+07
assign (resid  59 and name  HB1 ) (resid  60 and name  HB1 )  4.0  2.2  1.0 ! A.655  at 8.79e+06
assign (resid  59 and name  HB1 ) (resid  60 and name  HB2 )  3.5  1.2  0.5 ! A.656  at 2.08e+07
assign (resid  59 and name   HA ) (resid  61 and name  HB1 )  4.0  2.2  1.0 ! A.473  at 1.35e+07
assign (resid  59 and name   HA ) (resid  62 and name  HD2 )  4.0  2.2  1.0 ! A.207  at 9.75e+06
assign (resid  59 and name   HA ) (resid  62 and name  HD1 )  4.5  2.2  2.0 ! A.206  at 1.16e+06
assign (resid  59 and name  HG1 ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.389  at 3.49e+06
assign (resid  59 and name  HB1 ) (resid  62 and name  HD2 )  4.0  2.2  1.0 ! A.344  at 1.33e+07
assign (resid  59 and name  HE1 ) (resid  63 and name  HB2 )  4.0  2.2  1.0 ! A.359  at 1.46e+07
assign (resid  59 and name  HE1 ) (resid  63 and name   HA )  3.0  0.7  0.5 ! A.31   at 2.24e+08
assign (resid  59 and name  HE1 ) (resid  63 and name  HB1 )  4.5  2.2  2.0 ! A.429  at 1.60e+06
assign (resid  59 and name   HA ) (resid  63 and name  HB2 )  4.5  2.2  2.0 ! A.358  at 3.99e+06

! D60
assign (resid  60 and name   HA ) (resid  61 and name   HA )  4.5  2.2  2.0 ! A.42   at 4.08e+06
assign (resid  60 and name   HA ) (resid  61 and name  HB2 )  4.5  2.2  2.0 ! A.32   at 6.04e+06
assign (resid  60 and name  HB2 ) (resid  63 and name  HB2 )  4.5  2.2  2.0 ! A.452  at 2.84e+06
assign (resid  60 and name  HB2 ) (resid  63 and name  HB1 )  4.0  2.2  1.0 ! A.306  at 8.07e+06

! F61

! R62
assign (resid  62 and name   HA ) (resid  62 and name  HD2 )  4.5  2.2  2.0 ! A.386  at 4.48e+06
assign (resid  62 and name  HB1 ) (resid  65 and name  HB2 )  4.0  2.2  1.0 ! A.661  at 1.10e+07
assign (resid  62 and name   HA ) (resid  65 and name  HB1 )  4.5  2.2  2.0 ! A.469  at 2.02e+06
assign (resid  62 and name   HA ) (resid  65 and name  HB2 )  4.5  2.2  2.0 ! A.511  at 3.48e+06

! H63
assign (resid  63 and name   HA ) (resid  64 and name  HA1 )  4.5  2.2  2.0 ! A.30   at 1.33e+06
assign (resid  63 and name  HB2 ) (resid  64 and name  HA2 )  4.5  2.2  2.0 ! A.424  at 5.80e+06
assign (resid  63 and name  HB1 ) (resid  64 and name  HA2 )  4.0  2.2  1.0 ! A.305  at 8.02e+06
assign (resid  63 and name   HA ) (resid  66 and name  HB1 )  4.5  2.2  2.0 ! A.470  at 6.46e+06
assign (resid  63 and name  HB1 ) (resid  66 and name  HB2 )  4.5  2.2  2.0 ! A.507  at 6.18e+05
assign (resid  63 and name  HB2 ) (resid  66 and name  HB2 )  4.5  2.2  2.0 ! A.508  at 2.21e+06
assign (resid  63 and name  HB2 ) (resid  66 and name  HB1 )  4.0  2.2  1.0 ! A.307  at 8.86e+06
assign (resid  63 and name   HA ) (resid  67 and name   HB )  4.0  2.2  1.0 ! A.681  at 1.04e+07
assign (resid  63 and name   HA ) (resid  67 and name   HA )  4.0  2.2  1.0 ! A.291  at 1.10e+07

! G64
assign (resid  64 and name  HA1 ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.682  at 6.09e+06
assign (resid  64 and name  HA2 ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.834  at 3.57e+06
assign (resid  64 and name  HA2 ) (resid  67 and name   HB )  4.5  2.2  2.0 ! A.411  at 7.71e+06

! F65
assign (resid  65 and name   HA ) (resid  68 and name  HB1 )  4.5  2.2  2.0 ! A.680  at 5.37e+06
assign (resid  65 and name   HA ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.161  at 2.29e+06
assign (resid  65 and name  HB2 ) (resid  69 and name HG2# )  4.0  2.2  1.5 ! A.525  at 1.11e+07
assign (resid  65 and name  HB1 ) (resid  69 and name HG2# )  4.0  2.2  1.5 ! A.463  at 1.06e+07

! D66
assign (resid  66 and name  HB1 ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.293  at 7.71e+06
assign (resid  66 and name  HB2 ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.294  at 6.91e+06
assign (resid  66 and name   HA ) (resid  67 and name   HA )  4.5  2.2  2.0 ! A.292  at 2.09e+06
assign (resid  66 and name  HB1 ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.472  at 4.80e+06
assign (resid  66 and name   HA ) (resid  68 and name  HB1 )  4.5  2.2  2.0 ! A.80   at 1.87e+06

! I67
assign (resid  67 and name   HA ) (resid  67 and name HG2# )  4.0  2.2  1.5 ! A.912  at 1.02e+07
assign (resid  67 and name   HA ) (resid  67 and name HG12 )  4.5  2.2  2.0 ! A.833  at 2.08e+06
assign (resid  67 and name   HA ) (resid  68 and name  HB1 )  4.5  2.2  2.0 ! A.718  at 1.34e+06
assign (resid  67 and name   HA ) (resid  69 and name   HB )  4.5  2.2  2.0 ! A.594  at 1.85e+06

! L68
assign (resid  68 and name HD1# ) (resid  68 and name   HA )  2.5  0.7  0.9 ! A.154  at 4.81e+07
assign (resid  68 and name  HB1 ) (resid  69 and name   HA )  4.5  2.2  2.0 ! A.355  at 2.01e+06
assign (resid  68 and name  HB1 ) (resid  69 and name   HB )  4.0  2.2  1.0 ! A.719  at 9.30e+06
assign (resid  68 and name HD1# ) (resid  71 and name  HG1 )  2.5  0.7  0.9 ! A.531  at 4.60e+07
assign (resid  68 and name HD1# ) (resid  72 and name   HB )  2.5  0.7  0.9 ! A.614  at 7.47e+07

! V69
assign (resid  69 and name   HB ) (resid  70 and name  HA1 )  4.5  2.2  2.0 ! A.595  at 3.78e+06
assign (resid  69 and name   HA ) (resid  72 and name   HB )  3.5  1.2  0.5 ! A.326  at 2.35e+07
assign (resid  69 and name   HA ) (resid  73 and name  HB2 )  4.5  2.2  2.0 ! A.453  at 3.27e+06
assign (resid  69 and name   HB ) (resid  73 and name  HB2 )  4.0  2.2  1.0 ! A.455  at 1.10e+07

! G70
assign (resid  70 and name  HA2 ) (resid  71 and name   HA )  4.5  2.2  2.0 ! A.143  at 1.21e+06
assign (resid  70 and name  HA1 ) (resid  71 and name  HG1 )  4.5  2.2  2.0 ! A.540  at 1.20e+07
assign (resid  70 and name  HA1 ) (resid  73 and name  HB2 )  4.0  2.2  1.0 ! A.426  at 1.50e+07
assign (resid  70 and name  HA2 ) (resid  73 and name  HB2 )  3.5  1.2  0.5 ! A.249  at 3.04e+07
assign (resid  70 and name  HA2 ) (resid  73 and name  HB1 )  4.0  2.2  1.0 ! A.267  at 9.08e+06

! Q71
assign (resid  71 and name  HG1 ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.313  at 7.40e+06
assign (resid  71 and name   HA ) (resid  72 and name   HB )  4.5  2.2  2.0 ! A.144  at 1.59e+06
assign (resid  71 and name  HG2 ) (resid  72 and name   HA )  4.5  2.2  2.0 ! A.314  at 5.52e+06
assign (resid  71 and name   HA ) (resid  75 and name  HB# )  4.5  2.2  2.5 ! A.775  at 4.91e+06
assign (resid  71 and name  HG1 ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.874  at 2.60e+07

! I72
assign (resid  72 and name HG2# ) (resid  73 and name   HA )  4.5  2.2  2.5 ! A.915  at 6.34e+06
assign (resid  72 and name HG2# ) (resid  73 and name  HB2 )  4.5  2.2  2.5 ! A.456  at 1.14e+06
assign (resid  72 and name   HA ) (resid  94 and name HD2# )  4.0  2.2  1.5 ! A.316  at 1.20e+07
assign (resid  72 and name   HA ) (resid  94 and name HD1# )  3.5  1.2  1.0 ! A.315  at 1.51e+07

! D73
assign (resid  73 and name   HA ) (resid  76 and name   HG )  4.5  2.2  2.0 ! A.748  at 7.81e+06
assign (resid  73 and name   HA ) (resid  76 and name  HB1 )  3.5  1.2  0.5 ! A.38   at 1.71e+07
assign (resid  73 and name   HA ) (resid  76 and name HD1# )  3.5  1.2  1.0 ! A.41   at 3.11e+07

! D74
assign (resid  74 and name   HA ) (resid  77 and name  HD1 )  4.0  2.2  1.0 ! A.688  at 8.48e+06
assign (resid  74 and name   HA ) (resid  77 and name  HB1 )  3.5  1.2  0.5 ! A.639  at 1.68e+07

! A75
assign (resid  75 and name   HA ) (resid  77 and name  HB1 )  3.5  1.2  0.5 ! A.653  at 2.84e+07
assign (resid  75 and name  HB# ) (resid  78 and name  HB2 )  3.5  1.2  1.0 ! A.689  at 2.14e+07
assign (resid  75 and name   HA ) (resid  78 and name HD2# )  3.5  1.2  1.0 ! A.891  at 4.33e+07

! L76
assign (resid  76 and name HD1# ) (resid  76 and name   HA )  2.5  0.7  0.9 ! A.258  at 7.32e+07
assign (resid  76 and name   HG ) (resid  77 and name   HA )  4.5  2.2  2.0 ! A.197  at 6.52e+06

! K77
assign (resid  77 and name   HA ) (resid  77 and name  HG1 )  3.5  1.2  0.5 ! A.814  at 2.26e+07
assign (resid  77 and name  HE1 ) (resid  77 and name   HA )  3.5  1.2  0.5 ! A.196  at 3.14e+07
assign (resid  77 and name  HD1 ) (resid  77 and name  HB1 )  3.5  1.2  0.5 ! A.654  at 2.06e+07
assign (resid  77 and name  HD1 ) (resid  77 and name   HA )  3.5  1.2  0.5 ! A.195  at 3.55e+07
assign (resid  77 and name  HB1 ) (resid  78 and name HD1# )  2.5  0.7  0.9 ! A.910  at 6.95e+07
assign (resid  77 and name  HG1 ) (resid  78 and name   HA )  3.5  1.2  0.5 ! A.805  at 1.62e+07
assign (resid  77 and name  HE1 ) (resid  80 and name  HB1 )  2.5  0.7  0.4 ! A.431  at 6.23e+08
assign (resid  77 and name  HG1 ) (resid  80 and name  HB1 )  4.5  2.2  2.0 ! A.815  at 6.03e+06
assign (resid  77 and name  HG1 ) (resid  80 and name  HB2 )  4.5  2.2  2.0 ! A.479  at 5.27e+06
assign (resid  77 and name  HD1 ) (resid  81 and name  HG1 )  4.5  2.2  2.0 ! A.738  at 4.79e+06
assign (resid  77 and name  HG1 ) (resid  81 and name  HG2 )  4.0  2.2  1.0 ! A.816  at 1.15e+07
assign (resid  77 and name  HG1 ) (resid  81 and name   HA )  4.0  2.2  1.0 ! A.92   at 1.46e+07
assign (resid  77 and name  HE1 ) (resid  81 and name  HG2 )  3.5  1.2  0.5 ! A.430  at 1.84e+07

! L78
assign (resid  78 and name   HG ) (resid  78 and name   HA )  3.5  1.2  0.5 ! A.186  at 2.88e+07
assign (resid  78 and name  HB1 ) (resid  79 and name   HA )  4.5  2.2  2.0 ! A.287  at 2.08e+06
assign (resid  78 and name HD1# ) (resid  81 and name  HG1 )  3.5  1.2  1.0 ! A.521  at 2.05e+07
assign (resid  78 and name   HG ) (resid  83 and name   HA )  4.5  2.2  2.0 ! A.72   at 5.43e+05
assign (resid  78 and name   HG ) (resid  83 and name  HG2 )  2.5  0.7  0.4 ! A.829  at 1.31e+08
assign (resid  78 and name HD2# ) (resid  83 and name  HG1 )  4.5  2.2  2.5 ! A.917  at 1.95e+06
assign (resid  78 and name  HB1 ) (resid  84 and name   HA )  4.0  2.2  1.0 ! A.372  at 1.08e+07
assign (resid  78 and name  HB1 ) (resid  86 and name  HB2 )  2.5  0.7  0.4 ! A.616  at 1.14e+08
assign (resid  78 and name  HB1 ) (resid  87 and name  HB# )  2.5  0.7  0.9 ! A.811  at 7.48e+07
assign (resid  78 and name  HB1 ) (resid  87 and name   HA )  3.5  1.2  0.5 ! A.182  at 3.00e+07
assign (resid  78 and name  HB2 ) (resid  87 and name  HB# )  3.5  1.2  1.0 ! A.671  at 3.58e+07

! A79
assign (resid  79 and name  HB# ) (resid  80 and name  HB2 )  4.5  2.2  2.5 ! A.795  at 7.97e+06
assign (resid  79 and name  HB# ) (resid  80 and name  HB1 )  4.5  2.2  2.5 ! A.444  at 4.09e+06
assign (resid  79 and name   HA ) (resid  83 and name  HB1 )  4.5  2.2  2.0 ! A.647  at 2.85e+06
assign (resid  79 and name   HA ) (resid  84 and name HG2# )  4.5  2.2  2.5 ! A.289  at 7.38e+06
assign (resid  79 and name   HA ) (resid  84 and name   HA )  4.5  2.2  2.0 ! A.276  at 3.00e+06
assign (resid  79 and name  HB# ) (resid  84 and name   HA )  4.5  2.2  2.5 ! A.379  at 2.33e+06

! N80

! E81
assign (resid  81 and name  HG2 ) (resid  81 and name   HA )  3.5  1.2  0.5 ! A.91   at 3.25e+07
assign (resid  81 and name   HA ) (resid  81 and name  HG1 )  4.0  2.2  1.0 ! A.518  at 8.12e+06
assign (resid  81 and name  HB1 ) (resid  82 and name  HA2 )  4.5  2.2  2.0 ! A.310  at 4.29e+06

! G82
assign (resid  82 and name  HA1 ) (resid  83 and name  HG1 )  4.5  2.2  2.0 ! A.791  at 7.72e+06
assign (resid  82 and name  HA2 ) (resid  83 and name  HB2 )  4.5  2.2  2.0 ! A.717  at 1.38e+06
assign (resid  82 and name  HA2 ) (resid  83 and name  HG2 )  4.5  2.2  2.0 ! A.311  at 4.22e+05

! K83
assign (resid  83 and name   HA ) (resid  83 and name  HG2 )  3.5  1.2  0.5 ! A.828  at 2.15e+07
assign (resid  83 and name  HG1 ) (resid  83 and name   HA )  3.5  1.2  0.5 ! A.74   at 2.06e+07
assign (resid  83 and name   HA ) (resid  86 and name  HB2 )  3.5  1.2  0.5 ! A.615  at 3.06e+07

! V84
assign (resid  84 and name HG2# ) (resid  84 and name   HA )  4.0  2.2  1.5 ! A.377  at 1.46e+07
assign (resid  84 and name   HA ) (resid  84 and name HG1# )  4.0  2.2  1.5 ! A.906  at 8.35e+06
assign (resid  84 and name   HA ) (resid  85 and name  HB2 )  4.5  2.2  2.0 ! A.375  at 2.87e+06
assign (resid  84 and name HG1# ) (resid  85 and name   HA )  4.0  2.2  1.5 ! A.89   at 1.29e+07
assign (resid  84 and name   HA ) (resid  85 and name   HA )  4.0  2.2  1.0 ! A.350  at 1.20e+07
!assign (resid  84 and name   HA ) (resid  86 and name  HB2 )  3.5  1.2  0.5 ! A.376  at 1.99e+07
assign (resid  84 and name   HA ) (resid  87 and name  HB# )  4.5  2.2  2.5 ! A.799  at 7.28e+06
assign (resid  84 and name HG1# ) (resid  88 and name  HG1 )  4.0  2.2  1.5 ! A.542  at 1.42e+07
assign (resid  84 and name   HB ) (resid  88 and name  HB1 )  4.0  2.2  1.0 ! A.565  at 1.08e+07

! K85
assign (resid  85 and name  HE1 ) (resid  85 and name  HG1 )  4.0  2.2  1.0 ! A.788  at 1.21e+07
assign (resid  85 and name   HA ) (resid  85 and name  HG1 )  4.5  2.2  2.0 ! A.737  at 5.81e+06
assign (resid  85 and name  HB2 ) (resid  86 and name  HG1 )  4.0  2.2  1.0 ! A.692  at 9.99e+06
assign (resid  85 and name   HA ) (resid  88 and name  HG1 )  4.0  1.2  1.0 ! A.86   at 2.65e+07 C
assign (resid  85 and name   HA ) (resid  88 and name  HB1 )  3.5  1.2  0.5 ! A.73   at 2.57e+07
assign (resid  85 and name  HG1 ) (resid  88 and name  HB1 )  4.0  2.2  1.0 ! A.563  at 1.05e+07

! E86
assign (resid  86 and name   HA ) (resid  86 and name  HG1 )  4.0  2.2  1.0 ! A.543  at 1.43e+07
assign (resid  86 and name  HG2 ) (resid  86 and name   HA )  3.5  1.2  0.5 ! A.203  at 2.20e+07
assign (resid  86 and name  HB1 ) (resid  87 and name  HB# )  4.0  2.2  1.5 ! A.760  at 1.31e+07
assign (resid  86 and name  HB2 ) (resid  87 and name  HB# )  3.5  1.2  1.0 ! A.611  at 3.90e+07

! A87

! Q88
assign (resid  88 and name  HG1 ) (resid  88 and name   HA )  3.5  1.2  0.5 ! A.271  at 1.71e+07
assign (resid  88 and name  HB1 ) (resid  89 and name   HA )  4.5  2.2  2.0 ! A.610  at 3.04e+06
assign (resid  88 and name  HB2 ) (resid  91 and name  HB# )  4.0  2.2  1.5 ! A.761  at 1.20e+07

! A89

! A90
assign (resid  90 and name   HA ) (resid  93 and name  HG1 )  3.5  1.2  0.5 ! A.546  at 2.85e+07
assign (resid  90 and name   HA ) (resid  93 and name  HB1 )  3.5  1.2  0.5 ! A.583  at 2.39e+07

! A91
assign (resid  91 and name  HB# ) (resid  92 and name   HA )  3.5  1.2  1.0 ! A.758  at 1.99e+07
assign (resid  91 and name   HA ) (resid  93 and name  HB1 )  4.0  1.2  1.0 ! A.200  at 3.50e+07 C
assign (resid  91 and name   HA ) (resid  94 and name HD2# )  3.5  1.2  1.0 ! A.873  at 3.49e+07

! E92
assign (resid  92 and name   HA ) (resid  95 and name  HB1 )  4.0  2.2  1.0 ! A.159  at 1.07e+07
assign (resid  92 and name  HG1 ) (resid  95 and name  HD1 )  3.5  1.2  0.5 ! A.658  at 1.62e+07
assign (resid  92 and name   HA ) (resid  95 and name  HD1 )  3.5  1.2  0.5 ! A.142  at 3.57e+07
!assign (resid  92 and name  HB1 ) (resid  96 and name   HA )  4.5  2.2  2.0 ! A.600  at 2.10e+06
!assign (resid  92 and name  HB1 ) (resid  96 and name HG2# )  4.5  2.2  2.5 ! A.832  at 3.26e+06

! Q93
assign (resid  93 and name   HA ) (resid  94 and name HD1# )  4.0  2.2  1.5 ! A.129  at 1.17e+07
assign (resid  93 and name  HG1 ) (resid  94 and name HD1# )  4.0  2.2  1.5 ! A.875  at 1.81e+07 C
!assign (resid  93 and name  HB1 ) (resid  97 and name   HB )  4.5  2.2  2.0 ! A.588  at 1.43e+06

! L94
assign (resid  94 and name   HA ) (resid  94 and name HD1# )  2.5  0.7  0.9 ! A.872  at 6.91e+07
assign (resid  94 and name  HB2 ) (resid  97 and name   HB )  4.0  2.2  1.0 ! A.150  at 8.53e+06

! K95
assign (resid  95 and name  HE1 ) (resid  95 and name   HA )  2.5  0.7  0.4 ! A.268  at 4.92e+07
assign (resid  95 and name   HA ) (resid  98 and name   HB )  4.0  2.2  1.0 ! A.695  at 1.33e+07
assign (resid  95 and name   HA ) (resid  98 and name HG2# )  4.5  2.2  2.5 ! A.270  at 3.99e+06

! T96
assign (resid  96 and name   HB ) (resid  97 and name   HB )  4.5  2.2  2.0 ! A.121  at 3.62e+06
assign (resid  96 and name   HA ) (resid  98 and name   HB )  4.0  2.2  1.0 ! A.237  at 1.18e+07
assign (resid  96 and name   HA ) (resid  99 and name  HG1 )  4.5  2.2  2.0 ! A.728  at 4.75e+06
assign (resid  96 and name   HA ) (resid  99 and name   HA )  4.5  1.2  0.5 ! A.211  at 2.37e+07
assign (resid  96 and name HG2# ) (resid  99 and name  HB1 )  4.5  2.2  2.5 ! A.831  at 4.07e+06
assign (resid  96 and name   HA ) (resid  99 and name  HD2 )  4.5  2.2  2.0 ! A.412  at 3.01e+06

! T97
assign (resid  97 and name   HA ) (resid  97 and name HG2# )  4.5  2.2  2.5 ! A.868  at 5.80e+06
assign (resid  97 and name   HB ) (resid  98 and name   HB )  4.5  2.2  2.0 ! A.151  at 2.59e+06
assign (resid  97 and name HG2# ) (resid  98 and name   HB )  3.5  1.2  1.0 ! A.870  at 3.92e+07

! I98
assign (resid  98 and name   HB ) (resid  99 and name   HA )  3.5  1.2  0.5 ! A.696  at 2.44e+07
assign (resid  98 and name   HB ) (resid  99 and name  HD2 )  4.5  2.2  2.0 ! A.418  at 4.94e+06
assign (resid  98 and name   HA ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.390  at 9.77e+05
!assign (resid  98 and name HG2# ) (resid 104 and name  HG1 )  4.5  2.2  2.5 ! A.945  at 2.50e+06

! R99
assign (resid  99 and name   HA ) (resid  99 and name  HD1 )  4.5  2.2  2.0 ! A.413  at 3.71e+06
assign (resid  99 and name   HA ) (resid  99 and name  HG1 )  4.0  2.2  1.0 ! A.729  at 1.35e+07
assign (resid  99 and name   HA ) (resid  99 and name  HD2 )  4.5  2.2  2.0 ! A.417  at 1.41e+06
assign (resid  99 and name  HB1 ) (resid  99 and name  HD1 )  4.0  2.2  1.0 ! A.416  at 1.47e+07
assign (resid  99 and name  HG1 ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.730  at 9.91e+05
assign (resid  99 and name   HA ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.212  at 3.97e+06
!assign (resid  99 and name  HD1 ) (resid 103 and name  HG2 )  4.5  2.2  2.0 ! A.571  at 4.28e+06
!assign (resid  99 and name  HD2 ) (resid 103 and name  HG2 )  4.0  2.2  1.0 ! A.572  at 1.17e+07
!assign (resid  99 and name   HA ) (resid 103 and name  HG2 )  4.0  2.2  1.0 ! A.214  at 1.38e+07

! A100
assign (resid 100 and name   HA ) (resid 101 and name  HB2 )  4.5  2.2  2.0 ! A.178  at 7.59e+06
assign (resid 100 and name   HA ) (resid 101 and name  HB1 )  4.5  2.2  2.0 ! A.177  at 3.73e+06
assign (resid 100 and name  HB# ) (resid 101 and name  HB1 )  4.5  2.2  2.5 ! A.780  at 6.83e+06

! Y101
assign (resid 101 and name  HB2 ) (resid 102 and name   HA )  4.5  2.2  2.0 ! A.392  at 1.33e+06
assign (resid 101 and name  HB1 ) (resid 102 and name  HB1 )  4.5  2.2  2.0 ! A.363  at 4.18e+06
assign (resid 101 and name  HB1 ) (resid 104 and name  HG1 )  4.5  2.2  2.0 ! A.941  at 1.63e+06
assign (resid 101 and name  HB1 ) (resid 104 and name  HD1 )  4.5  2.2  2.0 ! A.368  at 2.83e+06
assign (resid 101 and name  HB2 ) (resid 104 and name  HB2 )  4.5  2.2  2.0 ! A.396  at 7.76e+05
assign (resid 101 and name  HB2 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.395  at 1.96e+06

! N102
assign (resid 102 and name  HB2 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.14   at 2.20e+06

! Q103
!assign (resid 103 and name  HB1 ) (resid 105 and name   HA )  4.5  2.2  1.0 ! A.627  at 9.25e+06

! K104
assign (resid 104 and name   HA ) (resid 104 and name  HG1 )  4.5  2.2  2.0 ! A.936  at 6.45e+06
assign (resid 104 and name   HA ) (resid 104 and name  HD1 )  4.0  2.2  1.0 ! A.838  at 1.23e+07
assign (resid 104 and name  HE1 ) (resid 104 and name  HG1 )  3.5  1.2  0.5 ! A.939  at 2.11e+07
assign (resid 104 and name  HD2 ) (resid 104 and name  HB1 )  4.5  2.2  2.0 ! A.782  at 1.53e+06
assign (resid 104 and name  HD1 ) (resid 104 and name  HB1 )  3.5  1.2  0.5 ! A.781  at 4.10e+07
assign (resid 104 and name  HB2 ) (resid 104 and name  HD1 )  4.5  2.2  2.0 ! A.844  at 5.64e+06
assign (resid 104 and name  HB2 ) (resid 104 and name  HD2 )  4.5  2.2  2.0 ! A.867  at 2.77e+06
!assign (resid 104 and name  HD2 ) (resid 105 and name   HA )  4.5  2.2  2.0 ! A.865  at 4.27e+06
assign (resid 104 and name  HG1 ) (resid 105 and name  HB1 )  4.5  2.2  2.0 ! A.940  at 3.49e+06
assign (resid 104 and name  HB2 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.407  at 1.71e+06
assign (resid 104 and name  HD1 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.405  at 3.32e+06
assign (resid 104 and name  HD2 ) (resid 105 and name  HB2 )  4.5  2.2  2.0 ! A.406  at 1.27e+06
assign (resid 104 and name   HA ) (resid 105 and name  HB1 )  4.5  2.2  2.0 ! A.333  at 7.09e+06
!assign (resid 104 and name  HB1 ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.779  at 3.29e+06
!assign (resid 104 and name  HG1 ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.938  at 3.69e+06

! Y105
assign (resid 105 and name  HB2 ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.223  at 3.94e+06
assign (resid 105 and name  HB2 ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.402  at 1.35e+06
assign (resid 105 and name   HA ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.11   at 6.08e+06
assign (resid 105 and name   HA ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.12   at 5.53e+06
assign (resid 105 and name  HB1 ) (resid 106 and name  HA1 )  4.5  2.2  2.0 ! A.222  at 2.33e+06
assign (resid 105 and name  HB1 ) (resid 106 and name  HA2 )  4.5  2.2  2.0 ! A.361  at 4.17e+06

! G106




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1  12.767   4.252  13.441
    2   2H    ALA   1          2HT       ALA   1  11.228   4.812  12.991
    3   3H    ALA   1          3HT       ALA   1  12.579   5.834  12.861
    4    HA   ALA   1           HA       ALA   1  12.593   5.218  10.724
    5   1HB   ALA   1          1HB       ALA   1  14.497   3.959  11.979
    6   2HB   ALA   1          2HB       ALA   1  14.112   3.463  10.331
    7   3HB   ALA   1          3HB       ALA   1  13.523   2.517  11.699
    8    H    ASP   2           H        ASP   2  10.010   4.690  11.932
    9    HA   ASP   2           HA       ASP   2   9.104   2.092  10.864
   10   1HB   ASP   2          2HB       ASP   2   7.901   4.360  12.408
   11   2HB   ASP   2          1HB       ASP   2   6.818   3.247  11.571
   12    H    LEU   3           H        LEU   3   9.462   5.304   9.811
   13    HA   LEU   3           HA       LEU   3   7.329   5.147   7.783
   14   1HB   LEU   3          2HB       LEU   3   9.446   7.281   8.205
   15   2HB   LEU   3          1HB       LEU   3   8.014   7.424   7.190
   16    HG   LEU   3           HG       LEU   3   7.904   6.882  10.171
   17   1HD1  LEU   3          1HD1      LEU   3   8.935   9.060   9.818
   18   2HD1  LEU   3          2HD1      LEU   3   7.273   9.290  10.364
   19   3HD1  LEU   3          3HD1      LEU   3   7.679   9.502   8.661
   20   1HD2  LEU   3          1HD2      LEU   3   5.860   7.549   8.041
   21   2HD2  LEU   3          2HD2      LEU   3   5.539   7.870   9.745
   22   3HD2  LEU   3          3HD2      LEU   3   5.843   6.221   9.203
   23    H    GLU   4           H        GLU   4  10.879   5.454   7.862
   24    HA   GLU   4           HA       GLU   4  11.219   5.111   5.024
   25   1HB   GLU   4          1HB       GLU   4  13.542   4.927   5.493
   26   2HB   GLU   4          2HB       GLU   4  13.255   4.290   7.112
   27   1HG   GLU   4          1HG       GLU   4  12.360   6.471   7.817
   28   2HG   GLU   4          2HG       GLU   4  12.584   7.105   6.187
   29    H    ASP   5           H        ASP   5  10.713   3.071   7.755
   30    HA   ASP   5           HA       ASP   5  11.565   0.602   6.468
   31   1HB   ASP   5          2HB       ASP   5  11.637   0.661   8.842
   32   2HB   ASP   5          1HB       ASP   5  10.004   1.312   8.932
   33    H    ASN   6           H        ASN   6   8.395   2.141   7.136
   34    HA   ASN   6           HA       ASN   6   6.751   0.096   6.160
   35   1HB   ASN   6          2HB       ASN   6   5.407   1.758   7.022
   36   2HB   ASN   6          1HB       ASN   6   6.504   3.036   6.510
   37   1HD2  ASN   6          1HD2      ASN   6   6.546   3.342   4.017
   38   2HD2  ASN   6          2HD2      ASN   6   5.050   3.270   3.214
   39    H    TRP   7           H        TRP   7   8.325   2.740   4.349
   40    HA   TRP   7           HA       TRP   7   7.354   2.137   1.773
   41   1HB   TRP   7          2HB       TRP   7   9.960   3.271   2.794
   42   2HB   TRP   7          1HB       TRP   7   9.788   2.924   1.077
   43    HD1  TRP   7           HD       TRP   7   7.613   4.742   3.752
   44    HE1  TRP   7           1HE      TRP   7   6.686   6.891   2.677
   45    HE3  TRP   7           3HE      TRP   7   9.617   4.328  -0.932
   46    HZ2  TRP   7           2HZ      TRP   7   6.787   8.258   0.180
   47    HZ3  TRP   7           3HZ      TRP   7   9.185   6.075  -2.635
   48    HH2  TRP   7           HH       TRP   7   7.773   8.036  -2.085
   49    H    GLU   8           H        GLU   8  10.398   0.904   3.226
   50    HA   GLU   8           HA       GLU   8  10.892  -0.998   1.196
   51   1HB   GLU   8          2HB       GLU   8  12.480  -0.286   3.037
   52   2HB   GLU   8          1HB       GLU   8  11.533  -1.285   4.140
   53   1HG   GLU   8          2HG       GLU   8  11.905  -3.190   2.492
   54   2HG   GLU   8          1HG       GLU   8  13.133  -2.176   1.743
   55    H    THR   9           H        THR   9   8.726  -0.982   3.968
   56    HA   THR   9           HA       THR   9   8.179  -3.811   3.913
   57    HB   THR   9           HB       THR   9   6.218  -1.720   4.857
   58    HG1  THR   9           1HG      THR   9   8.576  -1.621   5.609
   59   1HG2  THR   9          1HG2      THR   9   5.636  -3.476   6.481
   60   2HG2  THR   9          2HG2      THR   9   6.873  -4.526   5.790
   61   3HG2  THR   9          3HG2      THR   9   5.471  -4.059   4.824
   62    H    LEU  10           H        LEU  10   6.285  -1.020   2.691
   63    HA   LEU  10           HA       LEU  10   4.311  -2.540   1.342
   64   1HB   LEU  10          2HB       LEU  10   5.546  -0.001   0.234
   65   2HB   LEU  10          1HB       LEU  10   3.928  -0.615  -0.076
   66    HG   LEU  10           HG       LEU  10   5.009   0.688   2.424
   67   1HD1  LEU  10          1HD1      LEU  10   3.018   2.074   2.184
   68   2HD1  LEU  10          2HD1      LEU  10   2.460   1.082   0.836
   69   3HD1  LEU  10          3HD1      LEU  10   3.917   2.061   0.666
   70   1HD2  LEU  10          1HD2      LEU  10   2.614  -1.147   2.172
   71   2HD2  LEU  10          2HD2      LEU  10   2.776   0.039   3.466
   72   3HD2  LEU  10          3HD2      LEU  10   3.950  -1.270   3.318
   73    H    ASN  11           H        ASN  11   7.555  -1.518   0.400
   74    HA   ASN  11           HA       ASN  11   7.458  -2.681  -2.246
   75   1HB   ASN  11          2HB       ASN  11   9.136  -0.938  -1.305
   76   2HB   ASN  11          1HB       ASN  11   9.998  -2.328  -0.643
   77   1HD2  ASN  11          1HD2      ASN  11   8.463  -1.405  -3.799
   78   2HD2  ASN  11          2HD2      ASN  11   9.712  -2.037  -4.758
   79    H    ASP  12           H        ASP  12   9.213  -3.796   0.670
   80    HA   ASP  12           HA       ASP  12   9.887  -6.356  -0.340
   81   1HB   ASP  12          2HB       ASP  12  10.952  -5.468   1.656
   82   2HB   ASP  12          1HB       ASP  12   9.413  -5.458   2.517
   83    H    ASN  13           H        ASN  13   6.822  -5.150   0.557
   84    HA   ASN  13           HA       ASN  13   5.639  -7.671   1.399
   85   1HB   ASN  13          2HB       ASN  13   4.754  -4.882   0.853
   86   2HB   ASN  13          1HB       ASN  13   3.577  -6.095   0.449
   87   1HD2  ASN  13          1HD2      ASN  13   3.654  -4.043   2.692
   88   2HD2  ASN  13          2HD2      ASN  13   3.357  -4.941   4.106
   89    H    LEU  14           H        LEU  14   5.413  -5.640  -1.509
   90    HA   LEU  14           HA       LEU  14   3.912  -7.365  -3.132
   91   1HB   LEU  14          2HB       LEU  14   6.032  -5.329  -3.834
   92   2HB   LEU  14          1HB       LEU  14   4.991  -6.095  -5.035
   93    HG   LEU  14           HG       LEU  14   3.701  -4.825  -2.627
   94   1HD1  LEU  14          1HD1      LEU  14   4.772  -3.308  -5.019
   95   2HD1  LEU  14          2HD1      LEU  14   5.214  -3.074  -3.329
   96   3HD1  LEU  14          3HD1      LEU  14   3.591  -2.664  -3.881
   97   1HD2  LEU  14          1HD2      LEU  14   2.545  -6.169  -4.537
   98   2HD2  LEU  14          2HD2      LEU  14   2.824  -4.729  -5.513
   99   3HD2  LEU  14          3HD2      LEU  14   1.842  -4.628  -4.054
  100    H    LYS  15           H        LYS  15   7.350  -7.485  -2.397
  101    HA   LYS  15           HA       LYS  15   7.983  -9.254  -4.601
  102   1HB   LYS  15          2HB       LYS  15   9.689  -7.904  -3.309
  103   2HB   LYS  15          1HB       LYS  15   9.453  -9.021  -1.963
  104   1HG   LYS  15          2HG       LYS  15   9.886 -10.832  -3.947
  105   2HG   LYS  15          1HG       LYS  15  10.807  -9.475  -4.596
  106   1HD   LYS  15          2HD       LYS  15  12.305 -10.815  -3.254
  107   2HD   LYS  15          1HD       LYS  15  12.006  -9.310  -2.391
  108   1HE   LYS  15          2HE       LYS  15  11.014 -10.404  -0.639
  109   2HE   LYS  15          1HE       LYS  15  10.066 -11.441  -1.705
  110   1HZ   LYS  15          1HZ       LYS  15  12.077 -12.324  -0.229
  111   2HZ   LYS  15          2HZ       LYS  15  12.929 -11.936  -1.645
  112   3HZ   LYS  15          3HZ       LYS  15  11.634 -13.033  -1.705
  113    H    VAL  16           H        VAL  16   7.171  -9.736  -1.170
  114    HA   VAL  16           HA       VAL  16   7.533 -12.557  -1.145
  115    HB   VAL  16           HB       VAL  16   5.607 -10.825   0.436
  116   1HG1  VAL  16          1HG1      VAL  16   6.395 -13.734   0.776
  117   2HG1  VAL  16          2HG1      VAL  16   4.776 -13.115   0.463
  118   3HG1  VAL  16          3HG1      VAL  16   5.560 -12.786   2.004
  119   1HG2  VAL  16          1HG2      VAL  16   8.160 -10.533   0.674
  120   2HG2  VAL  16          2HG2      VAL  16   8.167 -12.155   1.358
  121   3HG2  VAL  16          3HG2      VAL  16   7.263 -10.868   2.152
  122    H    ILE  17           H        ILE  17   5.010 -10.590  -2.539
  123    HA   ILE  17           HA       ILE  17   3.017 -12.686  -2.721
  124    HB   ILE  17           HB       ILE  17   3.277 -10.311  -4.579
  125   1HG1  ILE  17          2HG1      ILE  17   2.193 -10.462  -1.753
  126   2HG1  ILE  17          1HG1      ILE  17   3.547  -9.504  -2.329
  127   1HG2  ILE  17          1HG2      ILE  17   0.891 -10.515  -4.762
  128   2HG2  ILE  17          2HG2      ILE  17   0.826 -11.667  -3.429
  129   3HG2  ILE  17          3HG2      ILE  17   1.544 -12.141  -4.967
  130   1HD1  ILE  17          1HD1      ILE  17   0.620  -9.136  -2.943
  131   2HD1  ILE  17          2HD1      ILE  17   1.872  -8.407  -3.948
  132   3HD1  ILE  17          3HD1      ILE  17   1.742  -7.969  -2.244
  133    H    GLU  18           H        GLU  18   4.706 -11.142  -5.457
  134    HA   GLU  18           HA       GLU  18   4.302 -13.130  -7.354
  135   1HB   GLU  18          2HB       GLU  18   7.007 -11.814  -7.201
  136   2HB   GLU  18          1HB       GLU  18   5.976 -12.091  -8.610
  137   1HG   GLU  18          2HG       GLU  18   4.323 -10.467  -7.330
  138   2HG   GLU  18          1HG       GLU  18   5.784  -9.945  -6.508
  139    H    LYS  19           H        LYS  19   6.482 -13.131  -4.641
  140    HA   LYS  19           HA       LYS  19   7.609 -15.769  -5.518
  141   1HB   LYS  19          2HB       LYS  19   8.658 -13.539  -3.858
  142   2HB   LYS  19          1HB       LYS  19   9.005 -15.135  -3.220
  143   1HG   LYS  19          2HG       LYS  19  10.858 -14.787  -4.587
  144   2HG   LYS  19          1HG       LYS  19   9.804 -15.648  -5.686
  145   1HD   LYS  19          2HD       LYS  19  10.121 -13.897  -7.123
  146   2HD   LYS  19          1HD       LYS  19   9.010 -13.005  -6.091
  147   1HE   LYS  19          2HE       LYS  19  10.836 -11.559  -6.099
  148   2HE   LYS  19          1HE       LYS  19  11.234 -12.534  -4.686
  149   1HZ   LYS  19          1HZ       LYS  19  13.044 -12.215  -6.391
  150   2HZ   LYS  19          2HZ       LYS  19  12.154 -13.248  -7.405
  151   3HZ   LYS  19          3HZ       LYS  19  12.739 -13.813  -5.914
  152    H    ALA  20           H        ALA  20   5.035 -14.685  -3.800
  153    HA   ALA  20           HA       ALA  20   5.131 -16.121  -1.351
  154   1HB   ALA  20          1HB       ALA  20   3.240 -14.719  -1.561
  155   2HB   ALA  20          2HB       ALA  20   2.554 -16.328  -1.756
  156   3HB   ALA  20          3HB       ALA  20   2.854 -15.330  -3.166
  157    H    ASP  21           H        ASP  21   4.021 -17.091  -4.557
  158    HA   ASP  21           HA       ASP  21   3.883 -19.199  -5.546
  159   1HB   ASP  21          2HB       ASP  21   6.152 -19.296  -3.875
  160   2HB   ASP  21          1HB       ASP  21   5.263 -20.755  -3.464
  161    H    ASN  22           H        ASN  22   2.706 -18.551  -2.386
  162    HA   ASN  22           HA       ASN  22   0.643 -20.636  -2.786
  163   1HB   ASN  22          2HB       ASN  22   1.727 -20.426   0.009
  164   2HB   ASN  22          1HB       ASN  22   0.913 -21.775  -0.783
  165   1HD2  ASN  22          1HD2      ASN  22   3.817 -19.813  -1.442
  166   2HD2  ASN  22          2HD2      ASN  22   4.823 -21.135  -1.748
  167    H    ALA  23           H        ALA  23  -1.332 -20.125  -1.834
  168    HA   ALA  23           HA       ALA  23  -1.987 -17.383  -1.501
  169   1HB   ALA  23          1HB       ALA  23  -3.525 -19.398  -2.006
  170   2HB   ALA  23          2HB       ALA  23  -4.167 -18.111  -0.985
  171   3HB   ALA  23          3HB       ALA  23  -3.591 -19.610  -0.256
  172    H    ALA  24           H        ALA  24  -0.762 -19.681   0.821
  173    HA   ALA  24           HA       ALA  24  -1.706 -18.397   3.199
  174   1HB   ALA  24          1HB       ALA  24  -0.659 -20.676   3.092
  175   2HB   ALA  24          2HB       ALA  24   0.020 -19.645   4.352
  176   3HB   ALA  24          3HB       ALA  24   0.904 -19.896   2.847
  177    H    GLN  25           H        GLN  25   1.432 -18.078   1.507
  178    HA   GLN  25           HA       GLN  25   2.383 -15.974   3.215
  179   1HB   GLN  25          2HB       GLN  25   3.325 -16.373   0.387
  180   2HB   GLN  25          1HB       GLN  25   4.247 -15.906   1.804
  181   1HG   GLN  25          2HG       GLN  25   3.579 -18.262   2.724
  182   2HG   GLN  25          1HG       GLN  25   3.214 -18.630   1.036
  183   1HE2  GLN  25          1HE2      GLN  25   5.126 -17.919  -0.522
  184   2HE2  GLN  25          2HE2      GLN  25   6.688 -18.308   0.018
  185    H    VAL  26           H        VAL  26   0.182 -15.990   0.556
  186    HA   VAL  26           HA       VAL  26   0.643 -13.245  -0.282
  187    HB   VAL  26           HB       VAL  26  -1.889 -14.893  -0.586
  188   1HG1  VAL  26          1HG1      VAL  26  -2.626 -13.301  -2.169
  189   2HG1  VAL  26          2HG1      VAL  26  -1.021 -12.605  -2.360
  190   3HG1  VAL  26          3HG1      VAL  26  -1.943 -12.289  -0.902
  191   1HG2  VAL  26          1HG2      VAL  26   0.303 -15.779  -1.628
  192   2HG2  VAL  26          2HG2      VAL  26   0.218 -14.393  -2.700
  193   3HG2  VAL  26          3HG2      VAL  26  -1.071 -15.595  -2.707
  194    H    LYS  27           H        LYS  27  -1.814 -14.780   1.882
  195    HA   LYS  27           HA       LYS  27  -3.103 -12.361   2.619
  196   1HB   LYS  27          2HB       LYS  27  -2.441 -14.739   4.373
  197   2HB   LYS  27          1HB       LYS  27  -3.585 -13.482   4.797
  198   1HG   LYS  27          2HG       LYS  27  -5.248 -14.518   3.644
  199   2HG   LYS  27          1HG       LYS  27  -4.283 -14.568   2.182
  200   1HD   LYS  27          2HD       LYS  27  -4.813 -16.854   2.810
  201   2HD   LYS  27          1HD       LYS  27  -3.100 -16.576   3.091
  202   1HE   LYS  27          2HE       LYS  27  -3.333 -16.563   5.404
  203   2HE   LYS  27          1HE       LYS  27  -5.033 -16.102   5.341
  204   1HZ   LYS  27          1HZ       LYS  27  -3.905 -18.681   5.450
  205   2HZ   LYS  27          2HZ       LYS  27  -4.801 -18.523   4.013
  206   3HZ   LYS  27          3HZ       LYS  27  -5.540 -18.233   5.516
  207    H    ASP  28           H        ASP  28  -0.509 -14.143   4.177
  208    HA   ASP  28           HA       ASP  28   0.235 -12.350   6.183
  209   1HB   ASP  28          2HB       ASP  28   2.107 -14.010   4.464
  210   2HB   ASP  28          1HB       ASP  28   2.451 -13.409   6.085
  211    H    ALA  29           H        ALA  29   1.184 -12.395   2.767
  212    HA   ALA  29           HA       ALA  29   3.061 -10.239   2.962
  213   1HB   ALA  29          1HB       ALA  29   2.917 -10.140   0.530
  214   2HB   ALA  29          2HB       ALA  29   1.420 -11.072   0.551
  215   3HB   ALA  29          3HB       ALA  29   2.936 -11.826   1.038
  216    H    LEU  30           H        LEU  30  -0.212 -10.204   1.489
  217    HA   LEU  30           HA       LEU  30  -0.385  -7.355   1.444
  218   1HB   LEU  30          2HB       LEU  30  -2.559  -9.463   1.460
  219   2HB   LEU  30          1HB       LEU  30  -2.854  -7.751   1.162
  220    HG   LEU  30           HG       LEU  30  -1.049  -9.552  -0.486
  221   1HD1  LEU  30          1HD1      LEU  30  -3.435 -10.042  -0.776
  222   2HD1  LEU  30          2HD1      LEU  30  -2.789  -9.274  -2.221
  223   3HD1  LEU  30          3HD1      LEU  30  -3.765  -8.341  -1.085
  224   1HD2  LEU  30          1HD2      LEU  30  -1.582  -6.595  -0.505
  225   2HD2  LEU  30          2HD2      LEU  30  -1.383  -7.404  -2.059
  226   3HD2  LEU  30          3HD2      LEU  30  -0.095  -7.471  -0.863
  227    H    THR  31           H        THR  31  -0.937  -9.667   4.003
  228    HA   THR  31           HA       THR  31  -2.632  -8.090   5.685
  229    HB   THR  31           HB       THR  31  -0.437 -10.058   6.410
  230    HG1  THR  31           1HG      THR  31  -2.259 -10.834   5.182
  231   1HG2  THR  31          1HG2      THR  31  -0.792  -8.898   8.415
  232   2HG2  THR  31          2HG2      THR  31  -1.952 -10.219   8.539
  233   3HG2  THR  31          3HG2      THR  31  -2.497  -8.611   8.067
  234    H    LYS  32           H        LYS  32   0.859  -8.224   5.238
  235    HA   LYS  32           HA       LYS  32   1.440  -6.280   7.306
  236   1HB   LYS  32          2HB       LYS  32   2.929  -7.715   5.147
  237   2HB   LYS  32          1HB       LYS  32   3.685  -6.268   5.824
  238   1HG   LYS  32          2HG       LYS  32   3.589  -7.212   8.066
  239   2HG   LYS  32          1HG       LYS  32   2.666  -8.596   7.485
  240   1HD   LYS  32          2HD       LYS  32   4.857  -9.445   7.604
  241   2HD   LYS  32          1HD       LYS  32   4.696  -9.016   5.905
  242   1HE   LYS  32          2HE       LYS  32   5.905  -6.947   6.242
  243   2HE   LYS  32          1HE       LYS  32   5.906  -7.177   7.991
  244   1HZ   LYS  32          1HZ       LYS  32   8.008  -7.863   7.178
  245   2HZ   LYS  32          2HZ       LYS  32   7.311  -8.818   5.959
  246   3HZ   LYS  32          3HZ       LYS  32   7.160  -9.273   7.589
  247    H    MET  33           H        MET  33   0.706  -6.153   3.855
  248    HA   MET  33           HA       MET  33   1.561  -3.436   3.369
  249   1HB   MET  33          2HB       MET  33  -0.593  -5.133   2.087
  250   2HB   MET  33          1HB       MET  33  -0.148  -3.534   1.497
  251   1HG   MET  33          2HG       MET  33   2.250  -4.425   1.376
  252   2HG   MET  33          1HG       MET  33   1.538  -6.028   1.562
  253   1HE   MET  33          1HE       MET  33   2.851  -3.595  -0.801
  254   2HE   MET  33          2HE       MET  33   1.402  -2.682  -0.384
  255   3HE   MET  33          3HE       MET  33   1.619  -3.276  -2.029
  256    H    ARG  34           H        ARG  34  -1.771  -4.576   3.402
  257    HA   ARG  34           HA       ARG  34  -3.056  -2.163   3.848
  258   1HB   ARG  34          2HB       ARG  34  -3.888  -4.767   3.692
  259   2HB   ARG  34          1HB       ARG  34  -4.157  -4.467   5.402
  260   1HG   ARG  34          2HG       ARG  34  -5.275  -2.195   4.336
  261   2HG   ARG  34          1HG       ARG  34  -5.567  -3.322   3.020
  262   1HD   ARG  34          2HD       ARG  34  -6.322  -4.686   5.423
  263   2HD   ARG  34          1HD       ARG  34  -7.001  -3.071   5.515
  264    HE   ARG  34           HE       ARG  34  -7.691  -3.879   2.972
  265   1HH1  ARG  34          1HH2      ARG  34  -7.855  -5.177   6.177
  266   2HH1  ARG  34          2HH2      ARG  34  -9.365  -5.988   5.935
  267   1HH2  ARG  34          1HH1      ARG  34  -9.743  -4.936   2.679
  268   2HH2  ARG  34          2HH1      ARG  34 -10.417  -5.851   3.973
  269    H    ALA  35           H        ALA  35  -1.216  -4.077   6.080
  270    HA   ALA  35           HA       ALA  35  -2.171  -2.768   8.494
  271   1HB   ALA  35          1HB       ALA  35   0.343  -4.353   7.923
  272   2HB   ALA  35          2HB       ALA  35  -1.134  -4.956   8.673
  273   3HB   ALA  35          3HB       ALA  35  -0.123  -3.787   9.523
  274    H    ALA  36           H        ALA  36   1.050  -2.593   6.878
  275    HA   ALA  36           HA       ALA  36   1.809  -0.214   8.287
  276   1HB   ALA  36          1HB       ALA  36   3.645  -0.082   6.741
  277   2HB   ALA  36          2HB       ALA  36   2.774  -1.030   5.535
  278   3HB   ALA  36          3HB       ALA  36   3.343  -1.796   7.017
  279    H    ALA  37           H        ALA  37  -0.114  -0.726   5.405
  280    HA   ALA  37           HA       ALA  37   0.031   1.907   4.314
  281   1HB   ALA  37          1HB       ALA  37  -2.074   1.373   3.201
  282   2HB   ALA  37          2HB       ALA  37  -2.373   0.055   4.335
  283   3HB   ALA  37          3HB       ALA  37  -1.042  -0.059   3.183
  284    H    LEU  38           H        LEU  38  -2.156   0.477   6.744
  285    HA   LEU  38           HA       LEU  38  -3.656   2.885   7.214
  286   1HB   LEU  38          2HB       LEU  38  -3.108   0.524   9.040
  287   2HB   LEU  38          1HB       LEU  38  -4.322   1.765   9.342
  288    HG   LEU  38           HG       LEU  38  -4.365   0.283   6.714
  289   1HD1  LEU  38          1HD1      LEU  38  -5.591  -0.728   9.299
  290   2HD1  LEU  38          2HD1      LEU  38  -4.220  -1.463   8.467
  291   3HD1  LEU  38          3HD1      LEU  38  -5.808  -1.441   7.701
  292   1HD2  LEU  38          1HD2      LEU  38  -6.809   0.692   6.972
  293   2HD2  LEU  38          2HD2      LEU  38  -5.882   2.189   7.021
  294   3HD2  LEU  38          3HD2      LEU  38  -6.498   1.484   8.516
  295    H    ASP  39           H        ASP  39  -0.524   1.753   8.246
  296    HA   ASP  39           HA       ASP  39  -0.330   3.689  10.453
  297   1HB   ASP  39          2HB       ASP  39   0.870   1.456  10.424
  298   2HB   ASP  39          1HB       ASP  39   1.891   2.098   9.137
  299    H    ALA  40           H        ALA  40   1.106   3.262   7.212
  300    HA   ALA  40           HA       ALA  40   2.602   5.683   7.208
  301   1HB   ALA  40          1HB       ALA  40   1.442   3.971   5.009
  302   2HB   ALA  40          2HB       ALA  40   3.133   4.200   5.457
  303   3HB   ALA  40          3HB       ALA  40   2.260   5.487   4.629
  304    H    GLN  41           H        GLN  41  -0.761   5.261   7.284
  305    HA   GLN  41           HA       GLN  41  -1.763   7.310   5.647
  306   1HB   GLN  41          2HB       GLN  41  -3.228   5.862   6.990
  307   2HB   GLN  41          1HB       GLN  41  -2.612   6.583   8.475
  308   1HG   GLN  41          2HG       GLN  41  -3.830   8.328   6.342
  309   2HG   GLN  41          1HG       GLN  41  -4.870   7.466   7.475
  310   1HE2  GLN  41          1HE2      GLN  41  -2.760  10.203   7.098
  311   2HE2  GLN  41          2HE2      GLN  41  -2.851  10.758   8.699
  312    H    LYS  42           H        LYS  42  -0.747   7.615   9.052
  313    HA   LYS  42           HA       LYS  42  -0.682  10.521   8.943
  314   1HB   LYS  42          2HB       LYS  42   0.480   8.555  10.938
  315   2HB   LYS  42          1HB       LYS  42   0.470  10.303  11.150
  316   1HG   LYS  42          2HG       LYS  42  -1.503   9.895  12.264
  317   2HG   LYS  42          1HG       LYS  42  -2.176   9.917  10.643
  318   1HD   LYS  42          2HD       LYS  42  -3.023   7.905  11.485
  319   2HD   LYS  42          1HD       LYS  42  -1.578   7.360  10.636
  320   1HE   LYS  42          2HE       LYS  42  -1.418   6.291  12.737
  321   2HE   LYS  42          1HE       LYS  42  -0.378   7.702  12.925
  322   1HZ   LYS  42          1HZ       LYS  42  -2.133   8.869  14.024
  323   2HZ   LYS  42          2HZ       LYS  42  -1.938   7.366  14.791
  324   3HZ   LYS  42          3HZ       LYS  42  -3.235   7.617  13.723
  325    H    ALA  43           H        ALA  43   0.960   9.099   6.905
  326    HA   ALA  43           HA       ALA  43   3.736   9.363   7.753
  327   1HB   ALA  43          1HB       ALA  43   2.453   8.956   5.042
  328   2HB   ALA  43          2HB       ALA  43   3.304   7.761   6.024
  329   3HB   ALA  43          3HB       ALA  43   4.197   9.079   5.270
  330    H    THR  44           H        THR  44   5.096  11.073   7.450
  331    HA   THR  44           HA       THR  44   4.374  13.291   5.674
  332    HB   THR  44           HB       THR  44   3.098  13.764   7.771
  333    HG1  THR  44           1HG      THR  44   5.106  15.352   6.718
  334   1HG2  THR  44          1HG2      THR  44   4.154  14.033   9.840
  335   2HG2  THR  44          2HG2      THR  44   5.742  14.253   9.111
  336   3HG2  THR  44          3HG2      THR  44   5.012  12.650   9.166
  337    HA   PRO  45           HA       PRO  45   8.949  12.193   6.984
  338   1HB   PRO  45          2HB       PRO  45   9.415  11.664   4.159
  339   2HB   PRO  45          1HB       PRO  45   9.626  10.574   5.537
  340   1HG   PRO  45          2HG       PRO  45   7.441  10.697   3.616
  341   2HG   PRO  45          1HG       PRO  45   7.807   9.448   4.812
  342   1HD   PRO  45          2HD       PRO  45   5.647  11.191   4.976
  343   2HD   PRO  45          1HD       PRO  45   6.347  10.326   6.354
  344    HA   PRO  46           HA       PRO  46   9.866  15.800   4.078
  345   1HB   PRO  46          2HB       PRO  46   8.006  16.623   2.233
  346   2HB   PRO  46          1HB       PRO  46   9.132  15.287   1.943
  347   1HG   PRO  46          2HG       PRO  46   6.247  15.189   2.324
  348   2HG   PRO  46          1HG       PRO  46   7.344  13.902   1.811
  349   1HD   PRO  46          2HD       PRO  46   6.241  14.435   4.476
  350   2HD   PRO  46          1HD       PRO  46   7.007  12.958   3.875
  351    H    LYS  47           H        LYS  47   6.847  15.638   5.609
  352    HA   LYS  47           HA       LYS  47   5.853  17.116   7.129
  353   1HB   LYS  47          2HB       LYS  47   7.614  19.360   6.115
  354   2HB   LYS  47          1HB       LYS  47   6.729  19.260   7.621
  355   1HG   LYS  47          2HG       LYS  47   8.357  18.055   8.682
  356   2HG   LYS  47          1HG       LYS  47   8.669  17.042   7.282
  357   1HD   LYS  47          2HD       LYS  47  10.659  18.326   7.691
  358   2HD   LYS  47          1HD       LYS  47   9.904  19.004   6.251
  359   1HE   LYS  47          2HE       LYS  47   8.731  20.647   7.866
  360   2HE   LYS  47          1HE       LYS  47   9.921  20.118   9.056
  361   1HZ   LYS  47          1HZ       LYS  47  11.483  21.338   8.091
  362   2HZ   LYS  47          2HZ       LYS  47  10.269  22.045   7.135
  363   3HZ   LYS  47          3HZ       LYS  47  11.141  20.706   6.554
  364    H    LEU  48           H        LEU  48   3.845  17.277   6.285
  365    HA   LEU  48           HA       LEU  48   3.377  18.557   3.703
  366   1HB   LEU  48          2HB       LEU  48   1.614  17.332   5.822
  367   2HB   LEU  48          1HB       LEU  48   0.919  18.188   4.447
  368    HG   LEU  48           HG       LEU  48   3.021  16.280   3.621
  369   1HD1  LEU  48          1HD1      LEU  48   0.495  15.098   4.811
  370   2HD1  LEU  48          2HD1      LEU  48   2.065  15.066   5.614
  371   3HD1  LEU  48          3HD1      LEU  48   1.843  14.227   4.081
  372   1HD2  LEU  48          1HD2      LEU  48   0.083  16.326   2.870
  373   2HD2  LEU  48          2HD2      LEU  48   1.441  15.732   1.912
  374   3HD2  LEU  48          3HD2      LEU  48   1.252  17.462   2.195
  375    H    GLU  49           H        GLU  49   4.146  19.805   6.574
  376    HA   GLU  49           HA       GLU  49   2.236  22.088   6.447
  377   1HB   GLU  49          2HB       GLU  49   3.008  20.798   8.639
  378   2HB   GLU  49          1HB       GLU  49   4.427  21.834   8.506
  379   1HG   GLU  49          2HG       GLU  49   2.952  23.827   8.462
  380   2HG   GLU  49          1HG       GLU  49   1.544  22.776   8.629
  381    H    ASP  50           H        ASP  50   4.580  21.288   4.639
  382    HA   ASP  50           HA       ASP  50   5.756  24.020   4.493
  383   1HB   ASP  50          2HB       ASP  50   7.192  22.341   5.877
  384   2HB   ASP  50          1HB       ASP  50   7.569  21.612   4.320
  385    H    LYS  51           H        LYS  51   3.846  22.830   2.773
  386    HA   LYS  51           HA       LYS  51   5.120  23.188   0.229
  387   1HB   LYS  51          2HB       LYS  51   4.923  20.908  -0.666
  388   2HB   LYS  51          1HB       LYS  51   5.984  20.924   0.727
  389   1HG   LYS  51          2HG       LYS  51   4.350  19.981   2.158
  390   2HG   LYS  51          1HG       LYS  51   3.044  20.294   1.025
  391   1HD   LYS  51          2HD       LYS  51   3.444  17.989   0.771
  392   2HD   LYS  51          1HD       LYS  51   4.322  18.699  -0.580
  393   1HE   LYS  51          2HE       LYS  51   5.736  17.043   0.518
  394   2HE   LYS  51          1HE       LYS  51   6.405  18.647   0.807
  395   1HZ   LYS  51          1HZ       LYS  51   6.334  17.313   2.830
  396   2HZ   LYS  51          2HZ       LYS  51   4.649  17.157   2.680
  397   3HZ   LYS  51          3HZ       LYS  51   5.341  18.681   2.963
  398    H    SER  52           H        SER  52   3.021  21.252  -0.991
  399    HA   SER  52           HA       SER  52   0.901  23.209  -1.060
  400   1HB   SER  52          2HB       SER  52   1.520  21.808  -3.017
  401   2HB   SER  52          1HB       SER  52   0.936  20.388  -2.151
  402    HG   SER  52           HG       SER  52  -1.018  22.004  -1.937
  403    HA   PRO  53           HA       PRO  53  -1.084  21.078   2.463
  404   1HB   PRO  53          2HB       PRO  53  -2.716  23.026   3.270
  405   2HB   PRO  53          1HB       PRO  53  -0.955  23.246   3.407
  406   1HG   PRO  53          2HG       PRO  53  -2.811  24.233   1.267
  407   2HG   PRO  53          1HG       PRO  53  -1.576  25.137   2.179
  408   1HD   PRO  53          2HD       PRO  53  -1.122  24.080  -0.325
  409   2HD   PRO  53          1HD       PRO  53   0.167  24.310   0.879
  410    H    ASP  54           H        ASP  54  -2.450  22.218  -0.447
  411    HA   ASP  54           HA       ASP  54  -4.339  21.615  -1.645
  412   1HB   ASP  54          2HB       ASP  54  -4.966  19.533   0.450
  413   2HB   ASP  54          1HB       ASP  54  -5.327  19.502  -1.273
  414    H    SER  55           H        SER  55  -6.572  20.411   0.417
  415    HA   SER  55           HA       SER  55  -7.254  22.743   1.933
  416   1HB   SER  55          2HB       SER  55  -8.603  23.940   0.527
  417   2HB   SER  55          1HB       SER  55  -7.779  23.065  -0.757
  418    HG   SER  55           HG       SER  55 -10.278  22.561   0.447
  419    HA   PRO  56           HA       PRO  56 -10.911  19.379   1.756
  420   1HB   PRO  56          2HB       PRO  56  -9.006  17.121   1.237
  421   2HB   PRO  56          1HB       PRO  56 -10.716  17.275   0.775
  422   1HG   PRO  56          2HG       PRO  56  -8.877  17.667  -1.041
  423   2HG   PRO  56          1HG       PRO  56 -10.221  18.821  -0.926
  424   1HD   PRO  56          2HD       PRO  56  -7.406  19.105   0.096
  425   2HD   PRO  56          1HD       PRO  56  -8.399  20.304  -0.770
  426    H    GLU  57           H        GLU  57  -9.381  20.481   3.857
  427    HA   GLU  57           HA       GLU  57  -8.593  20.044   6.041
  428   1HB   GLU  57          2HB       GLU  57 -10.819  18.011   5.680
  429   2HB   GLU  57          1HB       GLU  57  -9.997  18.256   7.219
  430   1HG   GLU  57          2HG       GLU  57 -11.870  19.671   7.397
  431   2HG   GLU  57          1HG       GLU  57 -10.599  20.777   6.885
  432    H    MET  58           H        MET  58  -7.299  18.734   3.782
  433    HA   MET  58           HA       MET  58  -5.628  17.203   3.377
  434   1HB   MET  58          2HB       MET  58  -5.764  16.701   6.364
  435   2HB   MET  58          1HB       MET  58  -4.469  16.254   5.276
  436   1HG   MET  58          2HG       MET  58  -3.628  18.376   5.155
  437   2HG   MET  58          1HG       MET  58  -5.219  19.141   5.211
  438   1HE   MET  58          1HE       MET  58  -6.712  19.084   7.519
  439   2HE   MET  58          2HE       MET  58  -5.852  20.527   6.986
  440   3HE   MET  58          3HE       MET  58  -5.840  20.081   8.690
  441    H    LYS  59           H        LYS  59  -8.659  16.439   4.521
  442    HA   LYS  59           HA       LYS  59  -8.762  13.694   4.967
  443   1HB   LYS  59          2HB       LYS  59 -10.713  15.306   4.892
  444   2HB   LYS  59          1HB       LYS  59 -10.622  15.225   3.127
  445   1HG   LYS  59          2HG       LYS  59 -10.729  12.567   4.501
  446   2HG   LYS  59          1HG       LYS  59 -12.182  13.544   4.674
  447   1HD   LYS  59          2HD       LYS  59 -12.508  13.666   2.314
  448   2HD   LYS  59          1HD       LYS  59 -10.891  13.053   1.979
  449   1HE   LYS  59          2HE       LYS  59 -12.930  11.417   1.807
  450   2HE   LYS  59          1HE       LYS  59 -11.445  10.861   2.581
  451   1HZ   LYS  59          1HZ       LYS  59 -13.737  10.571   3.753
  452   2HZ   LYS  59          2HZ       LYS  59 -13.491  12.187   4.217
  453   3HZ   LYS  59          3HZ       LYS  59 -12.362  10.995   4.655
  454    H    ASP  60           H        ASP  60  -8.468  15.446   1.924
  455    HA   ASP  60           HA       ASP  60  -8.730  13.210   0.196
  456   1HB   ASP  60          2HB       ASP  60  -8.902  15.352  -0.760
  457   2HB   ASP  60          1HB       ASP  60  -7.396  15.909  -0.038
  458    H    PHE  61           H        PHE  61  -6.163  14.206   2.297
  459    HA   PHE  61           HA       PHE  61  -4.048  12.757   0.934
  460   1HB   PHE  61          2HB       PHE  61  -4.006  14.709   2.779
  461   2HB   PHE  61          1HB       PHE  61  -3.902  13.339   3.880
  462    HD1  PHE  61           1HD      PHE  61  -1.796  12.388   4.310
  463    HD2  PHE  61           2HD      PHE  61  -2.382  14.665   0.717
  464    HE1  PHE  61           1HE      PHE  61   0.622  12.178   3.785
  465    HE2  PHE  61           2HE      PHE  61   0.032  14.458   0.191
  466    HZ   PHE  61           HZ       PHE  61   1.535  13.212   1.721
  467    H    ARG  62           H        ARG  62  -5.913  12.112   3.955
  468    HA   ARG  62           HA       ARG  62  -4.858   9.450   4.266
  469   1HB   ARG  62          2HB       ARG  62  -7.281   9.329   5.573
  470   2HB   ARG  62          1HB       ARG  62  -5.816   9.973   6.286
  471   1HG   ARG  62          2HG       ARG  62  -7.518  11.802   4.644
  472   2HG   ARG  62          1HG       ARG  62  -8.056  11.392   6.244
  473   1HD   ARG  62          2HD       ARG  62  -6.381  13.479   5.717
  474   2HD   ARG  62          1HD       ARG  62  -6.450  12.667   7.266
  475    HE   ARG  62           HE       ARG  62  -4.536  11.418   5.445
  476   1HH1  ARG  62          1HH2      ARG  62  -5.176  13.925   7.722
  477   2HH1  ARG  62          2HH2      ARG  62  -3.518  14.097   8.196
  478   1HH2  ARG  62          1HH1      ARG  62  -2.376  11.622   6.051
  479   2HH2  ARG  62          2HH1      ARG  62  -1.934  12.789   7.252
  480    H    HIS  63           H        HIS  63  -7.600  10.780   2.528
  481    HA   HIS  63           HA       HIS  63  -8.986   8.350   1.940
  482   1HB   HIS  63          2HB       HIS  63  -9.442  10.963   1.321
  483   2HB   HIS  63          1HB       HIS  63  -8.829  10.413  -0.233
  484    HD1  HIS  63           1HD      HIS  63 -10.937   8.446   2.229
  485    HD2  HIS  63           2HD      HIS  63 -11.240  10.031  -1.614
  486    HE1  HIS  63           1HE      HIS  63 -13.097   7.578   1.273
  487    H    GLY  64           H        GLY  64  -6.168   9.878   0.378
  488   1HA   GLY  64          2HA       GLY  64  -6.058   7.983  -1.777
  489   2HA   GLY  64          1HA       GLY  64  -4.690   8.939  -1.200
  490    H    PHE  65           H        PHE  65  -4.949   7.952   1.565
  491    HA   PHE  65           HA       PHE  65  -3.480   5.427   1.208
  492   1HB   PHE  65          2HB       PHE  65  -4.189   7.109   3.620
  493   2HB   PHE  65          1HB       PHE  65  -3.428   5.525   3.774
  494    HD1  PHE  65           1HD      PHE  65  -2.889   9.008   3.126
  495    HD2  PHE  65           2HD      PHE  65  -1.238   5.105   2.480
  496    HE1  PHE  65           1HE      PHE  65  -0.686  10.024   2.649
  497    HE2  PHE  65           2HE      PHE  65   0.972   6.122   1.992
  498    HZ   PHE  65           HZ       PHE  65   1.243   8.591   2.073
  499    H    ASP  66           H        ASP  66  -6.583   6.540   2.514
  500    HA   ASP  66           HA       ASP  66  -7.429   3.915   3.402
  501   1HB   ASP  66          2HB       ASP  66  -8.382   6.259   4.058
  502   2HB   ASP  66          1HB       ASP  66  -9.319   6.125   2.571
  503    H    ILE  67           H        ILE  67  -8.050   5.906   0.513
  504    HA   ILE  67           HA       ILE  67  -9.702   4.083  -0.880
  505    HB   ILE  67           HB       ILE  67  -7.621   6.042  -1.915
  506   1HG1  ILE  67          2HG1      ILE  67  -9.809   6.763  -0.597
  507   2HG1  ILE  67          1HG1      ILE  67  -9.351   7.615  -2.068
  508   1HG2  ILE  67          1HG2      ILE  67  -9.018   5.829  -4.071
  509   2HG2  ILE  67          2HG2      ILE  67  -9.624   4.324  -3.382
  510   3HG2  ILE  67          3HG2      ILE  67  -7.901   4.516  -3.699
  511   1HD1  ILE  67          1HD1      ILE  67 -11.024   6.573  -3.346
  512   2HD1  ILE  67          2HD1      ILE  67 -11.822   6.831  -1.796
  513   3HD1  ILE  67          3HD1      ILE  67 -11.199   5.236  -2.211
  514    H    LEU  68           H        LEU  68  -6.178   4.353  -0.689
  515    HA   LEU  68           HA       LEU  68  -5.475   2.287  -2.499
  516   1HB   LEU  68          2HB       LEU  68  -3.739   3.713  -1.693
  517   2HB   LEU  68          1HB       LEU  68  -4.164   3.408  -0.014
  518    HG   LEU  68           HG       LEU  68  -3.323   1.142  -0.148
  519   1HD1  LEU  68          1HD1      LEU  68  -2.076   0.586  -2.421
  520   2HD1  LEU  68          2HD1      LEU  68  -3.232   1.729  -3.098
  521   3HD1  LEU  68          3HD1      LEU  68  -3.801   0.286  -2.265
  522   1HD2  LEU  68          1HD2      LEU  68  -0.968   1.615  -0.495
  523   2HD2  LEU  68          2HD2      LEU  68  -1.724   3.045   0.206
  524   3HD2  LEU  68          3HD2      LEU  68  -1.357   2.999  -1.519
  525    H    VAL  69           H        VAL  69  -6.158   2.141   1.008
  526    HA   VAL  69           HA       VAL  69  -5.749  -0.646   1.329
  527    HB   VAL  69           HB       VAL  69  -7.531   1.349   2.745
  528   1HG1  VAL  69          1HG1      VAL  69  -7.549  -0.531   4.551
  529   2HG1  VAL  69          2HG1      VAL  69  -7.205  -1.604   3.194
  530   3HG1  VAL  69          3HG1      VAL  69  -8.674  -0.634   3.198
  531   1HG2  VAL  69          1HG2      VAL  69  -5.810   0.870   4.584
  532   2HG2  VAL  69          2HG2      VAL  69  -5.226   1.770   3.188
  533   3HG2  VAL  69          3HG2      VAL  69  -4.861   0.053   3.344
  534    H    GLY  70           H        GLY  70  -8.100   1.068  -0.437
  535   1HA   GLY  70          2HA       GLY  70 -10.263  -0.846  -0.125
  536   2HA   GLY  70          1HA       GLY  70 -10.183   0.431  -1.316
  537    H    GLN  71           H        GLN  71  -7.798  -0.242  -2.657
  538    HA   GLN  71           HA       GLN  71  -8.789  -2.506  -4.234
  539   1HB   GLN  71          2HB       GLN  71  -7.274  -1.874  -5.875
  540   2HB   GLN  71          1HB       GLN  71  -7.468  -0.345  -5.036
  541   1HG   GLN  71          2HG       GLN  71  -5.132  -0.643  -5.368
  542   2HG   GLN  71          1HG       GLN  71  -5.412  -0.960  -3.675
  543   1HE2  GLN  71          1HE2      GLN  71  -6.572  -3.484  -5.735
  544   2HE2  GLN  71          2HE2      GLN  71  -5.280  -4.557  -5.508
  545    H    ILE  72           H        ILE  72  -6.215  -1.892  -1.916
  546    HA   ILE  72           HA       ILE  72  -5.027  -4.513  -2.167
  547    HB   ILE  72           HB       ILE  72  -4.977  -2.394   0.005
  548   1HG1  ILE  72          2HG1      ILE  72  -2.792  -3.494  -1.777
  549   2HG1  ILE  72          1HG1      ILE  72  -3.729  -2.051  -2.156
  550   1HG2  ILE  72          1HG2      ILE  72  -3.127  -3.825   1.009
  551   2HG2  ILE  72          2HG2      ILE  72  -3.655  -5.128  -0.053
  552   3HG2  ILE  72          3HG2      ILE  72  -4.742  -4.500   1.182
  553   1HD1  ILE  72          1HD1      ILE  72  -1.716  -1.297  -1.090
  554   2HD1  ILE  72          2HD1      ILE  72  -1.878  -2.492   0.195
  555   3HD1  ILE  72          3HD1      ILE  72  -3.002  -1.139   0.106
  556    H    ASP  73           H        ASP  73  -7.766  -3.111  -0.471
  557    HA   ASP  73           HA       ASP  73  -8.182  -5.236   1.400
  558   1HB   ASP  73          2HB       ASP  73  -9.445  -3.331   1.908
  559   2HB   ASP  73          1HB       ASP  73  -9.876  -3.066   0.219
  560    H    ASP  74           H        ASP  74  -9.640  -4.689  -1.830
  561    HA   ASP  74           HA       ASP  74 -11.101  -7.155  -1.868
  562   1HB   ASP  74          2HB       ASP  74 -10.106  -5.305  -4.050
  563   2HB   ASP  74          1HB       ASP  74 -10.986  -6.788  -4.426
  564    H    ALA  75           H        ALA  75  -7.756  -6.379  -2.727
  565    HA   ALA  75           HA       ALA  75  -7.304  -8.938  -4.011
  566   1HB   ALA  75          1HB       ALA  75  -5.877  -6.957  -4.494
  567   2HB   ALA  75          2HB       ALA  75  -4.918  -8.320  -3.920
  568   3HB   ALA  75          3HB       ALA  75  -5.292  -6.985  -2.831
  569    H    LEU  76           H        LEU  76  -6.862  -7.636  -0.726
  570    HA   LEU  76           HA       LEU  76  -5.450  -9.810   0.369
  571   1HB   LEU  76          2HB       LEU  76  -6.602  -7.459   1.299
  572   2HB   LEU  76          1HB       LEU  76  -7.602  -8.661   2.078
  573    HG   LEU  76           HG       LEU  76  -4.708  -9.288   2.304
  574   1HD1  LEU  76          1HD1      LEU  76  -5.712  -6.823   3.732
  575   2HD1  LEU  76          2HD1      LEU  76  -4.646  -6.780   2.326
  576   3HD1  LEU  76          3HD1      LEU  76  -4.098  -7.531   3.825
  577   1HD2  LEU  76          1HD2      LEU  76  -6.613 -10.339   3.593
  578   2HD2  LEU  76          2HD2      LEU  76  -6.781  -8.808   4.454
  579   3HD2  LEU  76          3HD2      LEU  76  -5.288  -9.738   4.590
  580    H    LYS  77           H        LYS  77  -8.744  -9.446  -0.653
  581    HA   LYS  77           HA       LYS  77  -9.831 -11.776   0.622
  582   1HB   LYS  77          2HB       LYS  77 -11.083  -9.789  -0.450
  583   2HB   LYS  77          1HB       LYS  77 -10.735 -10.562  -1.999
  584   1HG   LYS  77          2HG       LYS  77 -12.825 -11.471  -1.464
  585   2HG   LYS  77          1HG       LYS  77 -11.701 -12.700  -0.884
  586   1HD   LYS  77          2HD       LYS  77 -11.902 -11.053   1.339
  587   2HD   LYS  77          1HD       LYS  77 -13.520 -10.923   0.660
  588   1HE   LYS  77          2HE       LYS  77 -13.551 -13.469   0.561
  589   2HE   LYS  77          1HE       LYS  77 -12.063 -13.443   1.514
  590   1HZ   LYS  77          1HZ       LYS  77 -13.550 -11.806   2.950
  591   2HZ   LYS  77          2HZ       LYS  77 -13.551 -13.487   3.196
  592   3HZ   LYS  77          3HZ       LYS  77 -14.791 -12.756   2.292
  593    H    LEU  78           H        LEU  78  -8.549 -11.103  -2.633
  594    HA   LEU  78           HA       LEU  78  -8.925 -13.698  -3.703
  595   1HB   LEU  78          2HB       LEU  78  -7.266 -11.306  -4.339
  596   2HB   LEU  78          1HB       LEU  78  -6.666 -12.829  -5.018
  597    HG   LEU  78           HG       LEU  78  -8.878 -13.246  -6.037
  598   1HD1  LEU  78          1HD1      LEU  78  -9.554 -10.671  -4.606
  599   2HD1  LEU  78          2HD1      LEU  78 -10.439 -12.196  -4.608
  600   3HD1  LEU  78          3HD1      LEU  78 -10.451 -11.171  -6.039
  601   1HD2  LEU  78          1HD2      LEU  78  -8.617 -11.710  -7.823
  602   2HD2  LEU  78          2HD2      LEU  78  -7.008 -11.764  -7.099
  603   3HD2  LEU  78          3HD2      LEU  78  -8.085 -10.413  -6.751
  604    H    ALA  79           H        ALA  79  -6.479 -12.348  -1.613
  605    HA   ALA  79           HA       ALA  79  -4.598 -14.513  -1.771
  606   1HB   ALA  79          1HB       ALA  79  -5.118 -12.796   0.671
  607   2HB   ALA  79          2HB       ALA  79  -4.248 -12.196  -0.733
  608   3HB   ALA  79          3HB       ALA  79  -3.602 -13.551   0.188
  609    H    ASN  80           H        ASN  80  -7.159 -13.754   0.605
  610    HA   ASN  80           HA       ASN  80  -6.860 -16.288   1.952
  611   1HB   ASN  80          2HB       ASN  80  -7.889 -13.945   2.745
  612   2HB   ASN  80          1HB       ASN  80  -9.394 -14.715   2.243
  613   1HD2  ASN  80          1HD2      ASN  80  -6.406 -15.723   3.990
  614   2HD2  ASN  80          2HD2      ASN  80  -7.212 -16.589   5.176
  615   1HG   GLU  81          1HG       GLU  81 -11.904 -14.665  -2.283
  616   2HG   GLU  81          2HG       GLU  81 -11.119 -15.030  -0.748
  617    H    GLY  82           H        GLY  82  -7.187 -17.251  -1.765
  618   1HA   GLY  82          2HA       GLY  82  -5.817 -19.153  -2.358
  619   2HA   GLY  82          1HA       GLY  82  -7.244 -19.972  -2.976
  620    H    LYS  83           H        LYS  83  -6.962 -16.680  -3.939
  621    HA   LYS  83           HA       LYS  83  -6.224 -17.586  -6.692
  622   1HB   LYS  83          2HB       LYS  83  -7.146 -14.792  -6.106
  623   2HB   LYS  83          1HB       LYS  83  -7.389 -15.765  -7.547
  624   1HG   LYS  83          2HG       LYS  83  -8.749 -16.155  -4.882
  625   2HG   LYS  83          1HG       LYS  83  -9.492 -15.531  -6.341
  626   1HD   LYS  83          2HD       LYS  83  -9.103 -17.676  -7.485
  627   2HD   LYS  83          1HD       LYS  83  -8.331 -18.322  -6.040
  628   1HE   LYS  83          2HE       LYS  83 -10.340 -18.340  -4.818
  629   2HE   LYS  83          1HE       LYS  83 -11.136 -17.225  -5.929
  630   1HZ   LYS  83          1HZ       LYS  83 -10.244 -19.530  -7.305
  631   2HZ   LYS  83          2HZ       LYS  83 -11.821 -18.919  -7.151
  632   3HZ   LYS  83          3HZ       LYS  83 -11.203 -19.986  -5.984
  633    H    VAL  84           H        VAL  84  -4.028 -17.791  -6.194
  634    HA   VAL  84           HA       VAL  84  -2.406 -15.593  -5.214
  635    HB   VAL  84           HB       VAL  84  -1.557 -18.111  -6.685
  636   1HG1  VAL  84          1HG1      VAL  84  -0.083 -16.019  -5.079
  637   2HG1  VAL  84          2HG1      VAL  84   0.251 -16.570  -6.721
  638   3HG1  VAL  84          3HG1      VAL  84   0.582 -17.630  -5.350
  639   1HG2  VAL  84          1HG2      VAL  84  -2.906 -18.341  -4.476
  640   2HG2  VAL  84          2HG2      VAL  84  -1.469 -17.674  -3.706
  641   3HG2  VAL  84          3HG2      VAL  84  -1.366 -19.189  -4.595
  642    H    LYS  85           H        LYS  85  -2.352 -17.266  -8.369
  643    HA   LYS  85           HA       LYS  85  -0.837 -15.399  -9.776
  644   1HB   LYS  85          2HB       LYS  85  -3.207 -17.021 -10.757
  645   2HB   LYS  85          1HB       LYS  85  -2.107 -16.143 -11.816
  646   1HG   LYS  85          2HG       LYS  85  -0.976 -18.153 -11.857
  647   2HG   LYS  85          1HG       LYS  85  -0.274 -17.549 -10.364
  648   1HD   LYS  85          2HD       LYS  85  -0.998 -19.591  -9.569
  649   2HD   LYS  85          1HD       LYS  85  -2.498 -18.705  -9.324
  650   1HE   LYS  85          2HE       LYS  85  -3.090 -19.424 -11.737
  651   2HE   LYS  85          1HE       LYS  85  -1.777 -20.589 -11.562
  652   1HZ   LYS  85          1HZ       LYS  85  -2.858 -21.651  -9.807
  653   2HZ   LYS  85          2HZ       LYS  85  -4.107 -21.335 -10.914
  654   3HZ   LYS  85          3HZ       LYS  85  -3.920 -20.357  -9.538
  655    H    GLU  86           H        GLU  86  -4.283 -15.248  -8.974
  656    HA   GLU  86           HA       GLU  86  -4.779 -12.851 -10.513
  657   1HB   GLU  86          2HB       GLU  86  -6.254 -13.806  -8.027
  658   2HB   GLU  86          1HB       GLU  86  -6.832 -12.644  -9.224
  659   1HG   GLU  86          2HG       GLU  86  -6.555 -14.489 -10.973
  660   2HG   GLU  86          1HG       GLU  86  -6.378 -15.609  -9.626
  661    H    ALA  87           H        ALA  87  -3.936 -13.548  -7.122
  662    HA   ALA  87           HA       ALA  87  -3.884 -10.771  -6.331
  663   1HB   ALA  87          1HB       ALA  87  -2.818 -11.549  -4.311
  664   2HB   ALA  87          2HB       ALA  87  -2.312 -13.046  -5.094
  665   3HB   ALA  87          3HB       ALA  87  -4.021 -12.756  -4.765
  666    H    GLN  88           H        GLN  88  -1.377 -13.064  -7.288
  667    HA   GLN  88           HA       GLN  88   0.887 -11.399  -7.078
  668   1HB   GLN  88          2HB       GLN  88   1.653 -13.500  -7.563
  669   2HB   GLN  88          1HB       GLN  88   0.120 -13.955  -8.265
  670   1HG   GLN  88          2HG       GLN  88   0.728 -13.128 -10.412
  671   2HG   GLN  88          1HG       GLN  88   2.126 -12.304  -9.751
  672   1HE2  GLN  88          1HE2      GLN  88   1.452 -15.544  -8.539
  673   2HE2  GLN  88          2HE2      GLN  88   2.678 -16.320  -9.386
  674    H    ALA  89           H        ALA  89  -1.126 -12.032  -9.979
  675    HA   ALA  89           HA       ALA  89   0.127 -10.162 -11.693
  676   1HB   ALA  89          1HB       ALA  89  -2.164 -10.060 -12.827
  677   2HB   ALA  89          2HB       ALA  89  -2.740 -11.134 -11.553
  678   3HB   ALA  89          3HB       ALA  89  -1.471 -11.672 -12.653
  679    H    ALA  90           H        ALA  90  -2.523  -9.706  -9.344
  680    HA   ALA  90           HA       ALA  90  -3.004  -6.944  -9.954
  681   1HB   ALA  90          1HB       ALA  90  -3.871  -6.836  -7.587
  682   2HB   ALA  90          2HB       ALA  90  -3.291  -8.484  -7.347
  683   3HB   ALA  90          3HB       ALA  90  -4.562  -8.161  -8.525
  684    H    ALA  91           H        ALA  91  -0.632  -8.605  -7.911
  685    HA   ALA  91           HA       ALA  91   0.475  -6.485  -6.475
  686   1HB   ALA  91          1HB       ALA  91   1.217  -8.982  -6.612
  687   2HB   ALA  91          2HB       ALA  91   2.443  -7.761  -6.282
  688   3HB   ALA  91          3HB       ALA  91   2.282  -8.433  -7.905
  689    H    GLU  92           H        GLU  92   1.101  -7.359  -9.885
  690    HA   GLU  92           HA       GLU  92   2.972  -5.243 -10.381
  691   1HB   GLU  92          2HB       GLU  92   1.074  -6.728 -12.228
  692   2HB   GLU  92          1HB       GLU  92   2.255  -5.551 -12.795
  693   1HG   GLU  92          2HG       GLU  92   3.736  -7.291 -12.923
  694   2HG   GLU  92          1HG       GLU  92   3.798  -7.238 -11.164
  695    H    GLN  93           H        GLN  93  -0.511  -5.380 -10.122
  696    HA   GLN  93           HA       GLN  93  -1.000  -2.794 -11.355
  697   1HB   GLN  93          2HB       GLN  93  -2.716  -4.700 -10.914
  698   2HB   GLN  93          1HB       GLN  93  -2.732  -4.140  -9.249
  699   1HG   GLN  93          2HG       GLN  93  -3.129  -1.989 -11.272
  700   2HG   GLN  93          1HG       GLN  93  -4.409  -3.197 -11.199
  701   1HE2  GLN  93          1HE2      GLN  93  -2.412  -1.902  -8.476
  702   2HE2  GLN  93          2HE2      GLN  93  -3.731  -1.283  -7.600
  703    H    LEU  94           H        LEU  94  -0.407  -4.078  -8.118
  704    HA   LEU  94           HA       LEU  94  -0.779  -1.607  -6.718
  705   1HB   LEU  94          2HB       LEU  94   0.640  -4.188  -6.091
  706   2HB   LEU  94          1HB       LEU  94   0.834  -2.799  -5.025
  707    HG   LEU  94           HG       LEU  94  -1.640  -2.655  -4.815
  708   1HD1  LEU  94          1HD1      LEU  94  -2.349  -3.701  -6.879
  709   2HD1  LEU  94          2HD1      LEU  94  -2.922  -4.714  -5.555
  710   3HD1  LEU  94          3HD1      LEU  94  -1.495  -5.182  -6.459
  711   1HD2  LEU  94          1HD2      LEU  94  -1.903  -4.765  -3.472
  712   2HD2  LEU  94          2HD2      LEU  94  -0.434  -3.865  -3.092
  713   3HD2  LEU  94          3HD2      LEU  94  -0.356  -5.305  -4.110
  714    H    LYS  95           H        LYS  95   2.026  -3.168  -8.233
  715    HA   LYS  95           HA       LYS  95   4.029  -1.330  -7.413
  716   1HB   LYS  95          2HB       LYS  95   3.663  -2.870 -10.009
  717   2HB   LYS  95          1HB       LYS  95   5.117  -1.943  -9.628
  718   1HG   LYS  95          2HG       LYS  95   4.864  -3.460  -7.337
  719   2HG   LYS  95          1HG       LYS  95   4.188  -4.557  -8.528
  720   1HD   LYS  95          2HD       LYS  95   6.565  -4.981  -8.330
  721   2HD   LYS  95          1HD       LYS  95   6.253  -4.267  -9.911
  722   1HE   LYS  95          2HE       LYS  95   7.392  -2.324  -9.395
  723   2HE   LYS  95          1HE       LYS  95   6.868  -2.335  -7.707
  724   1HZ   LYS  95          1HZ       LYS  95   9.231  -2.769  -7.920
  725   2HZ   LYS  95          2HZ       LYS  95   8.920  -4.124  -8.897
  726   3HZ   LYS  95          3HZ       LYS  95   8.429  -4.114  -7.270
  727    H    THR  96           H        THR  96   1.609  -1.184  -9.982
  728    HA   THR  96           HA       THR  96   2.519   1.326 -11.106
  729    HB   THR  96           HB       THR  96  -0.324   0.285 -11.179
  730    HG1  THR  96           1HG      THR  96   0.458  -0.844 -13.084
  731   1HG2  THR  96          1HG2      THR  96   1.392   1.816 -13.152
  732   2HG2  THR  96          2HG2      THR  96   0.102   2.499 -12.162
  733   3HG2  THR  96          3HG2      THR  96  -0.278   1.323 -13.421
  734    H    THR  97           H        THR  97   0.391   0.436  -8.418
  735    HA   THR  97           HA       THR  97  -0.832   2.997  -8.101
  736    HB   THR  97           HB       THR  97  -0.477   0.605  -6.414
  737    HG1  THR  97           1HG      THR  97  -2.571   0.746  -6.443
  738   1HG2  THR  97          1HG2      THR  97  -0.722   3.342  -5.164
  739   2HG2  THR  97          2HG2      THR  97   0.458   2.087  -4.786
  740   3HG2  THR  97          3HG2      THR  97  -1.238   1.867  -4.345
  741    H    ILE  98           H        ILE  98   2.215   1.602  -6.931
  742    HA   ILE  98           HA       ILE  98   3.153   3.674  -5.298
  743    HB   ILE  98           HB       ILE  98   4.819   2.149  -7.307
  744   1HG1  ILE  98          2HG1      ILE  98   3.834   1.355  -4.548
  745   2HG1  ILE  98          1HG1      ILE  98   3.471   0.548  -6.074
  746   1HG2  ILE  98          1HG2      ILE  98   5.597   3.086  -4.538
  747   2HG2  ILE  98          2HG2      ILE  98   5.810   4.110  -5.958
  748   3HG2  ILE  98          3HG2      ILE  98   6.655   2.567  -5.849
  749   1HD1  ILE  98          1HD1      ILE  98   6.114   0.673  -4.615
  750   2HD1  ILE  98          2HD1      ILE  98   6.005   0.210  -6.313
  751   3HD1  ILE  98          3HD1      ILE  98   5.195  -0.758  -5.083
  752    H    ARG  99           H        ARG  99   3.149   3.350  -8.828
  753    HA   ARG  99           HA       ARG  99   4.627   5.747  -9.320
  754   1HB   ARG  99          2HB       ARG  99   3.967   3.817 -10.968
  755   2HB   ARG  99          1HB       ARG  99   2.508   4.770 -11.222
  756   1HG   ARG  99          2HG       ARG  99   3.885   5.682 -12.868
  757   2HG   ARG  99          1HG       ARG  99   4.240   6.770 -11.522
  758   1HD   ARG  99          2HD       ARG  99   6.378   6.187 -12.278
  759   2HD   ARG  99          1HD       ARG  99   6.137   5.049 -10.963
  760    HE   ARG  99           HE       ARG  99   5.984   4.400 -13.870
  761   1HH1  ARG  99          1HH2      ARG  99   5.946   3.397 -10.542
  762   2HH1  ARG  99          2HH2      ARG  99   6.179   1.728 -10.926
  763   1HH2  ARG  99          1HH1      ARG  99   6.261   2.230 -14.349
  764   2HH2  ARG  99          2HH1      ARG  99   6.351   1.067 -13.067
  765    H    ALA 100           H        ALA 100   1.100   5.117  -9.321
  766    HA   ALA 100           HA       ALA 100   0.338   7.854  -9.725
  767   1HB   ALA 100          1HB       ALA 100  -1.860   7.057  -8.668
  768   2HB   ALA 100          2HB       ALA 100  -1.094   5.476  -8.523
  769   3HB   ALA 100          3HB       ALA 100  -1.335   6.198 -10.114
  770    H    TYR 101           H        TYR 101   1.481   6.116  -6.970
  771    HA   TYR 101           HA       TYR 101   0.394   7.912  -4.974
  772   1HB   TYR 101          2HB       TYR 101   1.014   5.740  -4.219
  773   2HB   TYR 101          1HB       TYR 101   2.574   5.844  -5.001
  774    HD1  TYR 101           1HD      TYR 101   4.357   7.243  -4.125
  775    HD2  TYR 101           2HD      TYR 101   0.650   6.721  -2.036
  776    HE1  TYR 101           1HE      TYR 101   5.404   8.107  -2.056
  777    HE2  TYR 101           2HE      TYR 101   1.696   7.579   0.039
  778    HH   TYR 101           HH       TYR 101   3.526   8.425   0.962
  779    H    ASN 102           H        ASN 102   3.284   7.737  -6.976
  780    HA   ASN 102           HA       ASN 102   4.745   9.810  -5.625
  781   1HB   ASN 102          2HB       ASN 102   6.152   8.700  -7.065
  782   2HB   ASN 102          1HB       ASN 102   4.917   8.492  -8.304
  783   1HD2  ASN 102          1HD2      ASN 102   5.805  11.599  -6.771
  784   2HD2  ASN 102          2HD2      ASN 102   6.419  12.311  -8.185
  785    H    GLN 103           H        GLN 103   2.120   9.815  -7.974
  786    HA   GLN 103           HA       GLN 103   2.333  12.602  -8.649
  787   1HB   GLN 103          2HB       GLN 103   0.894  11.478 -10.116
  788   2HB   GLN 103          1HB       GLN 103   0.194  10.489  -8.845
  789   1HG   GLN 103          2HG       GLN 103  -0.247  13.454  -8.845
  790   2HG   GLN 103          1HG       GLN 103  -1.226  12.436  -9.896
  791   1HE2  GLN 103          1HE2      GLN 103  -0.308  10.689  -7.121
  792   2HE2  GLN 103          2HE2      GLN 103  -1.719  10.919  -6.208
  793    H    LYS 104           H        LYS 104   1.185  10.709  -6.007
  794    HA   LYS 104           HA       LYS 104  -0.157  12.946  -4.653
  795   1HB   LYS 104          2HB       LYS 104  -1.148  11.223  -3.552
  796   2HB   LYS 104          1HB       LYS 104  -0.121  10.098  -4.402
  797   1HG   LYS 104          2HG       LYS 104   1.468  10.053  -2.667
  798   2HG   LYS 104          1HG       LYS 104   0.833  11.506  -1.909
  799   1HD   LYS 104          2HD       LYS 104  -0.967   9.118  -2.205
  800   2HD   LYS 104          1HD       LYS 104   0.240   9.135  -0.934
  801   1HE   LYS 104          2HE       LYS 104  -0.671  11.127   0.045
  802   2HE   LYS 104          1HE       LYS 104  -1.737  11.385  -1.332
  803   1HZ   LYS 104          1HZ       LYS 104  -2.824   9.262  -0.793
  804   2HZ   LYS 104          2HZ       LYS 104  -2.971  10.406   0.454
  805   3HZ   LYS 104          3HZ       LYS 104  -1.857   9.132   0.594
  806    H    TYR 105           H        TYR 105   2.865  11.085  -4.362
  807    HA   TYR 105           HA       TYR 105   3.988  13.089  -2.521
  808   1HB   TYR 105          2HB       TYR 105   4.639  10.336  -3.302
  809   2HB   TYR 105          1HB       TYR 105   6.073  11.354  -3.303
  810    HD1  TYR 105           1HD      TYR 105   2.997  10.907  -1.264
  811    HD2  TYR 105           2HD      TYR 105   7.246  11.440  -1.270
  812    HE1  TYR 105           1HE      TYR 105   3.004  10.805   1.216
  813    HE2  TYR 105           2HE      TYR 105   7.266  11.337   1.209
  814    HH   TYR 105           HH       TYR 105   4.829  11.855   3.074
  815    H    GLY 106           H        GLY 106   3.179  13.866  -5.224
  816   1HA   GLY 106          2HA       GLY 106   5.705  15.190  -5.993
  817   2HA   GLY 106          1HA       GLY 106   4.990  14.144  -7.221
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  16.802   4.906  11.285
    2   2H    ALA   1          2HT       ALA   1  17.127   4.580   9.650
    3   3H    ALA   1          3HT       ALA   1  16.078   3.573  10.527
    4    HA   ALA   1           HA       ALA   1  15.213   6.281  10.624
    5   1HB   ALA   1          1HB       ALA   1  15.809   5.015   7.958
    6   2HB   ALA   1          2HB       ALA   1  16.105   6.670   8.486
    7   3HB   ALA   1          3HB       ALA   1  14.462   6.141   8.128
    8    H    ASP   2           H        ASP   2  13.047   6.156  11.025
    9    HA   ASP   2           HA       ASP   2  11.805   3.492  11.162
   10   1HB   ASP   2          2HB       ASP   2  11.024   6.284  11.969
   11   2HB   ASP   2          1HB       ASP   2   9.830   4.983  11.988
   12    H    LEU   3           H        LEU   3  11.869   6.173   9.020
   13    HA   LEU   3           HA       LEU   3   9.289   5.506   7.770
   14   1HB   LEU   3          2HB       LEU   3  11.374   7.493   6.817
   15   2HB   LEU   3          1HB       LEU   3   9.679   7.421   6.344
   16    HG   LEU   3           HG       LEU   3  10.785   8.133   9.075
   17   1HD1  LEU   3          1HD1      LEU   3   9.047   9.677   7.127
   18   2HD1  LEU   3          2HD1      LEU   3  10.788   9.897   7.308
   19   3HD1  LEU   3          3HD1      LEU   3   9.707  10.280   8.648
   20   1HD2  LEU   3          1HD2      LEU   3   8.844   6.886   9.599
   21   2HD2  LEU   3          2HD2      LEU   3   7.989   7.441   8.159
   22   3HD2  LEU   3          3HD2      LEU   3   8.245   8.542   9.513
   23    H    GLU   4           H        GLU   4  12.735   5.558   6.843
   24    HA   GLU   4           HA       GLU   4  12.352   4.325   4.283
   25   1HB   GLU   4          2HB       GLU   4  14.758   4.051   6.109
   26   2HB   GLU   4          1HB       GLU   4  14.730   3.854   4.362
   27   1HG   GLU   4          2HG       GLU   4  13.957   6.455   5.696
   28   2HG   GLU   4          1HG       GLU   4  15.610   6.100   5.203
   29    H    ASP   5           H        ASP   5  12.364   3.271   7.556
   30    HA   ASP   5           HA       ASP   5  12.856   0.465   6.993
   31   1HB   ASP   5          2HB       ASP   5  13.354   1.071   9.192
   32   2HB   ASP   5          1HB       ASP   5  11.949   2.126   9.312
   33    H    ASN   6           H        ASN   6   9.889   2.309   7.853
   34    HA   ASN   6           HA       ASN   6   8.060   0.188   7.601
   35   1HB   ASN   6          2HB       ASN   6   6.929   2.007   8.436
   36   2HB   ASN   6          1HB       ASN   6   7.942   3.148   7.562
   37   1HD2  ASN   6          1HD2      ASN   6   7.500   3.010   5.033
   38   2HD2  ASN   6          2HD2      ASN   6   5.864   2.995   4.584
   39    H    TRP   7           H        TRP   7   9.304   2.388   5.088
   40    HA   TRP   7           HA       TRP   7   7.762   1.550   2.895
   41   1HB   TRP   7          2HB       TRP   7  10.613   2.495   3.179
   42   2HB   TRP   7          1HB       TRP   7  10.071   1.914   1.608
   43    HD1  TRP   7           HD       TRP   7   8.428   4.246   4.256
   44    HE1  TRP   7           1HE      TRP   7   7.578   6.343   3.033
   45    HE3  TRP   7           3HE      TRP   7   9.933   3.162  -0.502
   46    HZ2  TRP   7           2HZ      TRP   7   7.546   7.426   0.397
   47    HZ3  TRP   7           3HZ      TRP   7   9.483   4.752  -2.350
   48    HH2  TRP   7           HH       TRP   7   8.292   6.881  -1.908
   49    H    GLU   8           H        GLU   8  10.881   0.112   3.932
   50    HA   GLU   8           HA       GLU   8  10.927  -1.981   2.091
   51   1HB   GLU   8          2HB       GLU   8  12.710  -1.328   3.781
   52   2HB   GLU   8          1HB       GLU   8  11.766  -2.208   4.980
   53   1HG   GLU   8          2HG       GLU   8  11.839  -4.182   3.402
   54   2HG   GLU   8          1HG       GLU   8  13.066  -3.305   2.489
   55    H    THR   9           H        THR   9   8.914  -1.539   4.928
   56    HA   THR   9           HA       THR   9   8.178  -4.303   5.213
   57    HB   THR   9           HB       THR   9   6.444  -1.952   6.005
   58    HG1  THR   9           1HG      THR   9   8.655  -1.804   6.748
   59   1HG2  THR   9          1HG2      THR   9   5.585  -3.465   7.661
   60   2HG2  THR   9          2HG2      THR   9   6.800  -4.677   7.254
   61   3HG2  THR   9          3HG2      THR   9   5.523  -4.286   6.101
   62    H    LEU  10           H        LEU  10   6.136  -1.629   3.924
   63    HA   LEU  10           HA       LEU  10   4.294  -3.454   2.734
   64   1HB   LEU  10          2HB       LEU  10   3.917  -1.369   1.100
   65   2HB   LEU  10          1HB       LEU  10   3.322  -1.355   2.755
   66    HG   LEU  10           HG       LEU  10   6.118  -0.392   2.267
   67   1HD1  LEU  10          1HD1      LEU  10   5.086   1.939   1.927
   68   2HD1  LEU  10          2HD1      LEU  10   3.603   1.088   1.500
   69   3HD1  LEU  10          3HD1      LEU  10   5.062   0.848   0.541
   70   1HD2  LEU  10          1HD2      LEU  10   5.740   0.864   4.227
   71   2HD2  LEU  10          2HD2      LEU  10   4.829  -0.608   4.541
   72   3HD2  LEU  10          3HD2      LEU  10   3.992   0.850   4.018
   73    H    ASN  11           H        ASN  11   7.384  -2.145   1.684
   74    HA   ASN  11           HA       ASN  11   7.127  -3.058  -1.059
   75   1HB   ASN  11          2HB       ASN  11   8.889  -1.403   0.096
   76   2HB   ASN  11          1HB       ASN  11   9.833  -2.882   0.252
   77   1HD2  ASN  11          1HD2      ASN  11   8.691  -4.044  -2.292
   78   2HD2  ASN  11          2HD2      ASN  11   9.396  -3.165  -3.565
   79    H    ASP  12           H        ASP  12   8.902  -4.379   1.754
   80    HA   ASP  12           HA       ASP  12   9.637  -6.849   0.547
   81   1HB   ASP  12          2HB       ASP  12  10.672  -6.052   2.620
   82   2HB   ASP  12          1HB       ASP  12   9.136  -6.221   3.472
   83    H    ASN  13           H        ASN  13   6.565  -5.737   1.573
   84    HA   ASN  13           HA       ASN  13   5.391  -8.309   2.234
   85   1HB   ASN  13          2HB       ASN  13   4.504  -5.516   1.818
   86   2HB   ASN  13          1HB       ASN  13   3.336  -6.695   1.312
   87   1HD2  ASN  13          1HD2      ASN  13   3.468  -4.741   3.700
   88   2HD2  ASN  13          2HD2      ASN  13   3.053  -5.724   5.034
   89    H    LEU  14           H        LEU  14   5.445  -6.163  -0.579
   90    HA   LEU  14           HA       LEU  14   3.921  -7.671  -2.402
   91   1HB   LEU  14          2HB       LEU  14   6.174  -5.700  -2.678
   92   2HB   LEU  14          1HB       LEU  14   5.443  -6.420  -4.111
   93    HG   LEU  14           HG       LEU  14   3.533  -5.339  -2.073
   94   1HD1  LEU  14          1HD1      LEU  14   5.619  -3.607  -3.187
   95   2HD1  LEU  14          2HD1      LEU  14   4.431  -3.284  -1.940
   96   3HD1  LEU  14          3HD1      LEU  14   4.004  -3.068  -3.630
   97   1HD2  LEU  14          1HD2      LEU  14   3.598  -4.941  -5.075
   98   2HD2  LEU  14          2HD2      LEU  14   2.210  -4.869  -3.991
   99   3HD2  LEU  14          3HD2      LEU  14   2.982  -6.415  -4.319
  100    H    LYS  15           H        LYS  15   7.331  -8.000  -1.504
  101    HA   LYS  15           HA       LYS  15   7.992  -9.792  -3.669
  102   1HB   LYS  15          2HB       LYS  15   9.682  -8.602  -2.208
  103   2HB   LYS  15          1HB       LYS  15   9.246  -9.711  -0.910
  104   1HG   LYS  15          2HG       LYS  15   9.722 -11.527  -2.893
  105   2HG   LYS  15          1HG       LYS  15  10.803 -10.235  -3.410
  106   1HD   LYS  15          2HD       LYS  15  12.189 -11.473  -1.995
  107   2HD   LYS  15          1HD       LYS  15  11.576 -10.240  -0.893
  108   1HE   LYS  15          2HE       LYS  15  11.312 -12.295   0.278
  109   2HE   LYS  15          1HE       LYS  15   9.698 -11.920  -0.332
  110   1HZ   LYS  15          1HZ       LYS  15  11.093 -13.328  -2.307
  111   2HZ   LYS  15          2HZ       LYS  15   9.712 -13.812  -1.445
  112   3HZ   LYS  15          3HZ       LYS  15  11.260 -14.177  -0.849
  113    H    VAL  16           H        VAL  16   6.888 -10.284  -0.323
  114    HA   VAL  16           HA       VAL  16   7.044 -13.114  -0.317
  115    HB   VAL  16           HB       VAL  16   5.130 -11.243   1.109
  116   1HG1  VAL  16          1HG1      VAL  16   5.514 -14.236   1.311
  117   2HG1  VAL  16          2HG1      VAL  16   4.008 -13.347   1.075
  118   3HG1  VAL  16          3HG1      VAL  16   4.834 -13.288   2.634
  119   1HG2  VAL  16          1HG2      VAL  16   7.498 -11.015   1.750
  120   2HG2  VAL  16          2HG2      VAL  16   7.616 -12.757   1.988
  121   3HG2  VAL  16          3HG2      VAL  16   6.596 -11.788   3.050
  122    H    ILE  17           H        ILE  17   4.794 -10.972  -1.911
  123    HA   ILE  17           HA       ILE  17   2.699 -12.931  -2.296
  124    HB   ILE  17           HB       ILE  17   3.265 -10.546  -4.063
  125   1HG1  ILE  17          2HG1      ILE  17   1.902 -10.709  -1.358
  126   2HG1  ILE  17          1HG1      ILE  17   3.368  -9.829  -1.763
  127   1HG2  ILE  17          1HG2      ILE  17   1.506 -12.165  -4.777
  128   2HG2  ILE  17          2HG2      ILE  17   0.825 -10.595  -4.356
  129   3HG2  ILE  17          3HG2      ILE  17   0.703 -11.940  -3.227
  130   1HD1  ILE  17          1HD1      ILE  17   1.647  -8.185  -1.778
  131   2HD1  ILE  17          2HD1      ILE  17   0.554  -9.238  -2.673
  132   3HD1  ILE  17          3HD1      ILE  17   1.962  -8.544  -3.476
  133    H    GLU  18           H        GLU  18   4.689 -11.488  -4.906
  134    HA   GLU  18           HA       GLU  18   4.276 -13.474  -6.815
  135   1HB   GLU  18          2HB       GLU  18   7.068 -12.389  -6.565
  136   2HB   GLU  18          1HB       GLU  18   6.038 -12.527  -7.995
  137   1HG   GLU  18          2HG       GLU  18   4.546 -10.759  -6.697
  138   2HG   GLU  18          1HG       GLU  18   6.046 -10.411  -5.857
  139    H    LYS  19           H        LYS  19   6.253 -13.595  -3.962
  140    HA   LYS  19           HA       LYS  19   7.294 -16.287  -4.744
  141   1HB   LYS  19          2HB       LYS  19   8.309 -14.085  -3.059
  142   2HB   LYS  19          1HB       LYS  19   8.486 -15.662  -2.307
  143   1HG   LYS  19          2HG       LYS  19  10.486 -15.232  -3.591
  144   2HG   LYS  19          1HG       LYS  19   9.561 -16.467  -4.428
  145   1HD   LYS  19          2HD       LYS  19  10.141 -15.008  -6.174
  146   2HD   LYS  19          1HD       LYS  19   8.503 -14.508  -5.771
  147   1HE   LYS  19          2HE       LYS  19   9.197 -12.477  -4.931
  148   2HE   LYS  19          1HE       LYS  19  10.713 -13.117  -4.301
  149   1HZ   LYS  19          1HZ       LYS  19  11.243 -13.411  -6.814
  150   2HZ   LYS  19          2HZ       LYS  19  11.438 -11.897  -6.066
  151   3HZ   LYS  19          3HZ       LYS  19  10.062 -12.211  -7.011
  152    H    ALA  20           H        ALA  20   4.637 -15.049  -3.233
  153    HA   ALA  20           HA       ALA  20   4.421 -16.550  -0.821
  154   1HB   ALA  20          1HB       ALA  20   1.885 -16.524  -1.419
  155   2HB   ALA  20          2HB       ALA  20   2.365 -15.542  -2.791
  156   3HB   ALA  20          3HB       ALA  20   2.678 -14.976  -1.152
  157    H    ASP  21           H        ASP  21   3.787 -17.343  -4.170
  158    HA   ASP  21           HA       ASP  21   3.481 -19.358  -5.277
  159   1HB   ASP  21          2HB       ASP  21   5.118 -20.169  -2.880
  160   2HB   ASP  21          1HB       ASP  21   4.534 -21.387  -4.007
  161    H    ASN  22           H        ASN  22   1.976 -18.810  -2.257
  162    HA   ASN  22           HA       ASN  22  -0.098 -20.773  -3.016
  163   1HB   ASN  22          2HB       ASN  22   0.684 -20.804  -0.114
  164   2HB   ASN  22          1HB       ASN  22  -0.109 -22.051  -1.079
  165   1HD2  ASN  22          1HD2      ASN  22   2.953 -20.223  -1.263
  166   2HD2  ASN  22          2HD2      ASN  22   3.916 -21.577  -1.562
  167    H    ALA  23           H        ALA  23  -2.137 -20.182  -2.343
  168    HA   ALA  23           HA       ALA  23  -2.698 -17.456  -1.844
  169   1HB   ALA  23          1HB       ALA  23  -4.550 -19.698  -1.049
  170   2HB   ALA  23          2HB       ALA  23  -4.245 -19.300  -2.740
  171   3HB   ALA  23          3HB       ALA  23  -4.964 -18.098  -1.668
  172    H    ALA  24           H        ALA  24  -1.824 -19.941   0.438
  173    HA   ALA  24           HA       ALA  24  -3.102 -18.780   2.737
  174   1HB   ALA  24          1HB       ALA  24  -2.343 -21.012   2.982
  175   2HB   ALA  24          2HB       ALA  24  -1.262 -20.056   3.996
  176   3HB   ALA  24          3HB       ALA  24  -0.724 -20.611   2.411
  177    H    GLN  25           H        GLN  25   0.244 -18.502   1.519
  178    HA   GLN  25           HA       GLN  25   1.026 -16.557   3.480
  179   1HB   GLN  25          2HB       GLN  25   2.385 -16.766   0.808
  180   2HB   GLN  25          1HB       GLN  25   3.085 -16.553   2.402
  181   1HG   GLN  25          2HG       GLN  25   2.148 -18.941   2.884
  182   2HG   GLN  25          1HG       GLN  25   2.029 -19.074   1.126
  183   1HE2  GLN  25          1HE2      GLN  25   4.225 -18.214   0.006
  184   2HE2  GLN  25          2HE2      GLN  25   5.649 -18.822   0.702
  185    H    VAL  26           H        VAL  26  -0.738 -16.306   0.512
  186    HA   VAL  26           HA       VAL  26  -0.038 -13.553  -0.079
  187    HB   VAL  26           HB       VAL  26  -2.579 -15.029  -0.850
  188   1HG1  VAL  26          1HG1      VAL  26  -2.910 -13.335  -2.490
  189   2HG1  VAL  26          2HG1      VAL  26  -1.280 -12.702  -2.289
  190   3HG1  VAL  26          3HG1      VAL  26  -2.484 -12.439  -1.039
  191   1HG2  VAL  26          1HG2      VAL  26  -0.077 -14.580  -2.499
  192   2HG2  VAL  26          2HG2      VAL  26  -1.452 -15.603  -2.903
  193   3HG2  VAL  26          3HG2      VAL  26  -0.370 -16.057  -1.600
  194    H    LYS  27           H        LYS  27  -2.833 -15.050   1.659
  195    HA   LYS  27           HA       LYS  27  -4.131 -12.616   2.309
  196   1HB   LYS  27          2HB       LYS  27  -3.737 -15.067   4.047
  197   2HB   LYS  27          1HB       LYS  27  -4.879 -13.783   4.397
  198   1HG   LYS  27          2HG       LYS  27  -6.444 -14.687   3.010
  199   2HG   LYS  27          1HG       LYS  27  -5.301 -14.793   1.679
  200   1HD   LYS  27          2HD       LYS  27  -6.058 -17.047   2.259
  201   2HD   LYS  27          1HD       LYS  27  -4.361 -16.861   2.679
  202   1HE   LYS  27          2HE       LYS  27  -4.764 -16.904   4.950
  203   2HE   LYS  27          1HE       LYS  27  -6.378 -16.209   4.792
  204   1HZ   LYS  27          1HZ       LYS  27  -5.860 -18.812   5.222
  205   2HZ   LYS  27          2HZ       LYS  27  -6.063 -18.785   3.534
  206   3HZ   LYS  27          3HZ       LYS  27  -7.298 -18.212   4.549
  207    H    ASP  28           H        ASP  28  -1.805 -14.518   4.121
  208    HA   ASP  28           HA       ASP  28  -1.238 -12.770   6.230
  209   1HB   ASP  28          2HB       ASP  28   0.689 -14.592   4.754
  210   2HB   ASP  28          1HB       ASP  28   0.912 -13.978   6.390
  211    H    ALA  29           H        ALA  29  -0.012 -12.756   2.909
  212    HA   ALA  29           HA       ALA  29   2.063 -10.836   3.386
  213   1HB   ALA  29          1HB       ALA  29   1.895 -12.323   1.352
  214   2HB   ALA  29          2HB       ALA  29   2.197 -10.626   0.982
  215   3HB   ALA  29          3HB       ALA  29   0.577 -11.296   0.786
  216    H    LEU  30           H        LEU  30  -0.999 -10.359   1.594
  217    HA   LEU  30           HA       LEU  30  -0.896  -7.522   1.729
  218   1HB   LEU  30          2HB       LEU  30  -3.217  -9.427   1.350
  219   2HB   LEU  30          1HB       LEU  30  -3.371  -7.680   1.192
  220    HG   LEU  30           HG       LEU  30  -1.307  -9.247  -0.361
  221   1HD1  LEU  30          1HD1      LEU  30  -2.902  -9.229  -2.257
  222   2HD1  LEU  30          2HD1      LEU  30  -4.138  -8.557  -1.197
  223   3HD1  LEU  30          3HD1      LEU  30  -3.508 -10.178  -0.901
  224   1HD2  LEU  30          1HD2      LEU  30  -1.833  -6.452  -0.069
  225   2HD2  LEU  30          2HD2      LEU  30  -2.385  -6.885  -1.682
  226   3HD2  LEU  30          3HD2      LEU  30  -0.728  -7.227  -1.198
  227    H    THR  31           H        THR  31  -1.757  -9.853   4.123
  228    HA   THR  31           HA       THR  31  -3.575  -8.316   5.717
  229    HB   THR  31           HB       THR  31  -1.512 -10.394   6.521
  230    HG1  THR  31           1HG      THR  31  -4.112 -10.425   5.558
  231   1HG2  THR  31          1HG2      THR  31  -1.983  -9.278   8.534
  232   2HG2  THR  31          2HG2      THR  31  -3.159 -10.592   8.529
  233   3HG2  THR  31          3HG2      THR  31  -3.659  -8.961   8.084
  234    H    LYS  32           H        LYS  32  -0.049  -8.718   5.945
  235    HA   LYS  32           HA       LYS  32   0.260  -6.758   8.029
  236   1HB   LYS  32          2HB       LYS  32   2.099  -8.172   6.113
  237   2HB   LYS  32          1HB       LYS  32   2.725  -6.894   7.162
  238   1HG   LYS  32          2HG       LYS  32   1.783  -8.141   9.132
  239   2HG   LYS  32          1HG       LYS  32   1.306  -9.434   8.035
  240   1HD   LYS  32          2HD       LYS  32   3.365 -10.295   8.612
  241   2HD   LYS  32          1HD       LYS  32   3.926  -9.224   7.332
  242   1HE   LYS  32          2HE       LYS  32   4.034  -8.816  10.317
  243   2HE   LYS  32          1HE       LYS  32   5.340  -8.697   9.138
  244   1HZ   LYS  32          1HZ       LYS  32   3.042  -6.874   8.944
  245   2HZ   LYS  32          2HZ       LYS  32   4.648  -6.640   8.442
  246   3HZ   LYS  32          3HZ       LYS  32   4.250  -6.563  10.091
  247    H    MET  33           H        MET  33   0.027  -6.575   4.550
  248    HA   MET  33           HA       MET  33   1.252  -3.981   4.197
  249   1HB   MET  33          2HB       MET  33  -0.940  -5.402   2.670
  250   2HB   MET  33          1HB       MET  33  -0.188  -3.900   2.134
  251   1HG   MET  33          2HG       MET  33   2.034  -5.089   2.305
  252   2HG   MET  33          1HG       MET  33   1.133  -6.588   2.493
  253   1HE   MET  33          1HE       MET  33   2.552  -3.940   0.428
  254   2HE   MET  33          2HE       MET  33   0.940  -3.291   0.147
  255   3HE   MET  33          3HE       MET  33   1.826  -4.036  -1.172
  256    H    ARG  34           H        ARG  34  -2.142  -4.944   4.198
  257    HA   ARG  34           HA       ARG  34  -3.349  -2.434   4.391
  258   1HB   ARG  34          2HB       ARG  34  -4.343  -4.902   4.334
  259   2HB   ARG  34          1HB       ARG  34  -4.395  -4.720   6.077
  260   1HG   ARG  34          2HG       ARG  34  -6.327  -3.518   5.924
  261   2HG   ARG  34          1HG       ARG  34  -5.542  -2.323   4.910
  262   1HD   ARG  34          2HD       ARG  34  -5.935  -3.986   2.961
  263   2HD   ARG  34          1HD       ARG  34  -7.048  -4.794   4.060
  264    HE   ARG  34           HE       ARG  34  -7.515  -2.277   2.718
  265   1HH1  ARG  34          1HH2      ARG  34  -8.140  -4.217   5.499
  266   2HH1  ARG  34          2HH2      ARG  34  -9.652  -3.451   5.860
  267   1HH2  ARG  34          1HH1      ARG  34  -9.503  -1.270   3.168
  268   2HH2  ARG  34          2HH1      ARG  34 -10.422  -1.788   4.542
  269    H    ALA  35           H        ALA  35  -1.606  -4.277   6.743
  270    HA   ALA  35           HA       ALA  35  -2.411  -2.685   9.048
  271   1HB   ALA  35          1HB       ALA  35  -1.462  -5.100   9.023
  272   2HB   ALA  35          2HB       ALA  35  -0.922  -4.007  10.296
  273   3HB   ALA  35          3HB       ALA  35   0.117  -4.325   8.910
  274    H    ALA  36           H        ALA  36   0.843  -3.031   7.527
  275    HA   ALA  36           HA       ALA  36   1.829  -0.628   8.731
  276   1HB   ALA  36          1HB       ALA  36   3.562  -0.783   6.820
  277   2HB   ALA  36          2HB       ALA  36   2.713  -2.254   6.348
  278   3HB   ALA  36          3HB       ALA  36   3.468  -2.144   7.939
  279    H    ALA  37           H        ALA  37   0.036  -1.175   5.752
  280    HA   ALA  37           HA       ALA  37   0.575   1.320   4.491
  281   1HB   ALA  37          1HB       ALA  37  -2.077  -0.147   4.464
  282   2HB   ALA  37          2HB       ALA  37  -0.692  -0.637   3.491
  283   3HB   ALA  37          3HB       ALA  37  -1.443   0.935   3.223
  284    H    LEU  38           H        LEU  38  -1.869   0.383   6.909
  285    HA   LEU  38           HA       LEU  38  -3.114   2.969   7.041
  286   1HB   LEU  38          2HB       LEU  38  -2.966   0.668   9.006
  287   2HB   LEU  38          1HB       LEU  38  -3.883   2.132   9.337
  288    HG   LEU  38           HG       LEU  38  -4.338   0.600   6.771
  289   1HD1  LEU  38          1HD1      LEU  38  -5.767   0.085   9.399
  290   2HD1  LEU  38          2HD1      LEU  38  -4.568  -0.996   8.692
  291   3HD1  LEU  38          3HD1      LEU  38  -6.092  -0.701   7.854
  292   1HD2  LEU  38          1HD2      LEU  38  -5.997   2.472   8.491
  293   2HD2  LEU  38          2HD2      LEU  38  -6.663   1.556   7.145
  294   3HD2  LEU  38          3HD2      LEU  38  -5.414   2.758   6.851
  295    H    ASP  39           H        ASP  39  -0.156   1.674   8.308
  296    HA   ASP  39           HA       ASP  39   0.106   3.752  10.375
  297   1HB   ASP  39          2HB       ASP  39   1.112   1.510  10.694
  298   2HB   ASP  39          1HB       ASP  39   2.147   1.783   9.293
  299    H    ALA  40           H        ALA  40   1.596   3.042   7.202
  300    HA   ALA  40           HA       ALA  40   3.401   5.218   7.134
  301   1HB   ALA  40          1HB       ALA  40   1.807   4.036   4.834
  302   2HB   ALA  40          2HB       ALA  40   3.371   3.458   5.405
  303   3HB   ALA  40          3HB       ALA  40   3.240   5.052   4.662
  304    H    GLN  41           H        GLN  41  -0.052   5.161   6.923
  305    HA   GLN  41           HA       GLN  41  -0.705   7.468   5.516
  306   1HB   GLN  41          2HB       GLN  41  -2.398   6.031   6.516
  307   2HB   GLN  41          1HB       GLN  41  -1.850   6.450   8.134
  308   1HG   GLN  41          2HG       GLN  41  -2.666   8.689   6.304
  309   2HG   GLN  41          1HG       GLN  41  -3.936   7.704   7.027
  310   1HE2  GLN  41          1HE2      GLN  41  -1.690  10.265   7.626
  311   2HE2  GLN  41          2HE2      GLN  41  -1.992  10.428   9.287
  312    H    LYS  42           H        LYS  42   0.176   7.322   8.984
  313    HA   LYS  42           HA       LYS  42   0.170  10.189   9.330
  314   1HB   LYS  42          2HB       LYS  42   1.489   7.976  10.931
  315   2HB   LYS  42          1HB       LYS  42   1.496   9.669  11.413
  316   1HG   LYS  42          2HG       LYS  42  -0.376   8.981  12.586
  317   2HG   LYS  42          1HG       LYS  42  -1.144   9.422  11.075
  318   1HD   LYS  42          2HD       LYS  42  -2.035   7.315  11.184
  319   2HD   LYS  42          1HD       LYS  42  -0.485   6.821  10.526
  320   1HE   LYS  42          2HE       LYS  42  -1.177   6.954  13.475
  321   2HE   LYS  42          1HE       LYS  42  -1.098   5.489  12.507
  322   1HZ   LYS  42          1HZ       LYS  42   1.280   6.532  11.985
  323   2HZ   LYS  42          2HZ       LYS  42   1.002   5.456  13.271
  324   3HZ   LYS  42          3HZ       LYS  42   1.052   7.132  13.553
  325    H    ALA  43           H        ALA  43   2.125   8.432   7.391
  326    HA   ALA  43           HA       ALA  43   4.697   9.634   8.130
  327   1HB   ALA  43          1HB       ALA  43   5.616   8.386   6.338
  328   2HB   ALA  43          2HB       ALA  43   4.063   8.271   5.509
  329   3HB   ALA  43          3HB       ALA  43   4.344   7.356   6.991
  330    H    THR  44           H        THR  44   5.802  11.233   6.913
  331    HA   THR  44           HA       THR  44   4.412  12.564   4.675
  332    HB   THR  44           HB       THR  44   4.891  14.827   5.967
  333    HG1  THR  44           1HG      THR  44   5.696  14.287   7.847
  334   1HG2  THR  44          1HG2      THR  44   2.552  13.065   6.756
  335   2HG2  THR  44          2HG2      THR  44   2.652  14.001   5.263
  336   3HG2  THR  44          3HG2      THR  44   2.607  14.825   6.820
  337    HA   PRO  45           HA       PRO  45   9.090  11.997   4.506
  338   1HB   PRO  45          2HB       PRO  45   8.269  11.910   1.628
  339   2HB   PRO  45          1HB       PRO  45   9.448  10.915   2.496
  340   1HG   PRO  45          2HG       PRO  45   6.993  10.008   1.859
  341   2HG   PRO  45          1HG       PRO  45   7.853   9.492   3.316
  342   1HD   PRO  45          2HD       PRO  45   5.484  11.262   3.089
  343   2HD   PRO  45          1HD       PRO  45   6.044  10.305   4.473
  344    HA   PRO  46           HA       PRO  46   9.201  16.022   2.076
  345   1HB   PRO  46          2HB       PRO  46   7.062  16.946   0.706
  346   2HB   PRO  46          1HB       PRO  46   8.019  15.575   0.120
  347   1HG   PRO  46          2HG       PRO  46   5.297  15.599   1.239
  348   2HG   PRO  46          1HG       PRO  46   6.090  14.371   0.239
  349   1HD   PRO  46          2HD       PRO  46   5.799  14.438   3.150
  350   2HD   PRO  46          1HD       PRO  46   6.400  13.117   2.135
  351    H    LYS  47           H        LYS  47   5.935  17.135   2.191
  352    HA   LYS  47           HA       LYS  47   5.874  18.171   4.876
  353   1HB   LYS  47          2HB       LYS  47   5.949  20.669   3.540
  354   2HB   LYS  47          1HB       LYS  47   7.173  20.043   4.631
  355   1HG   LYS  47          2HG       LYS  47   8.555  19.308   2.888
  356   2HG   LYS  47          1HG       LYS  47   7.234  19.245   1.723
  357   1HD   LYS  47          2HD       LYS  47   7.341  21.513   1.269
  358   2HD   LYS  47          1HD       LYS  47   7.875  21.929   2.896
  359   1HE   LYS  47          2HE       LYS  47  10.121  21.170   2.420
  360   2HE   LYS  47          1HE       LYS  47   9.620  20.510   0.863
  361   1HZ   LYS  47          1HZ       LYS  47   9.419  22.579  -0.058
  362   2HZ   LYS  47          2HZ       LYS  47  10.707  22.854   1.015
  363   3HZ   LYS  47          3HZ       LYS  47   9.136  23.350   1.427
  364    H    LEU  48           H        LEU  48   3.685  18.132   5.192
  365    HA   LEU  48           HA       LEU  48   1.881  18.379   2.902
  366   1HB   LEU  48          2HB       LEU  48   1.744  16.975   5.243
  367   2HB   LEU  48          1HB       LEU  48   0.774  18.374   5.682
  368    HG   LEU  48           HG       LEU  48   0.340  16.732   3.178
  369   1HD1  LEU  48          1HD1      LEU  48  -0.136  15.279   5.015
  370   2HD1  LEU  48          2HD1      LEU  48  -1.696  15.913   4.491
  371   3HD1  LEU  48          3HD1      LEU  48  -0.913  16.575   5.925
  372   1HD2  LEU  48          1HD2      LEU  48  -1.138  19.000   4.516
  373   2HD2  LEU  48          2HD2      LEU  48  -1.978  17.883   3.441
  374   3HD2  LEU  48          3HD2      LEU  48  -0.640  18.850   2.831
  375    H    GLU  49           H        GLU  49   3.527  20.568   4.665
  376    HA   GLU  49           HA       GLU  49   1.334  22.603   4.736
  377   1HB   GLU  49          2HB       GLU  49   4.192  22.698   5.776
  378   2HB   GLU  49          1HB       GLU  49   3.023  24.010   5.916
  379   1HG   GLU  49          2HG       GLU  49   1.500  22.342   7.112
  380   2HG   GLU  49          1HG       GLU  49   2.904  21.278   7.205
  381    H    ASP  50           H        ASP  50   2.521  21.444   2.296
  382    HA   ASP  50           HA       ASP  50   3.371  23.996   1.034
  383   1HB   ASP  50          2HB       ASP  50   5.346  22.504   1.878
  384   2HB   ASP  50          1HB       ASP  50   4.954  21.491   0.491
  385    H    LYS  51           H        LYS  51   2.901  20.507   0.337
  386    HA   LYS  51           HA       LYS  51   2.158  20.989  -2.387
  387   1HB   LYS  51          2HB       LYS  51   1.579  18.679  -2.469
  388   2HB   LYS  51          1HB       LYS  51   2.944  18.802  -1.376
  389   1HG   LYS  51          2HG       LYS  51   1.495  18.642   0.561
  390   2HG   LYS  51          1HG       LYS  51   0.054  18.710  -0.450
  391   1HD   LYS  51          2HD       LYS  51   0.596  16.390   0.253
  392   2HD   LYS  51          1HD       LYS  51   0.625  16.589  -1.498
  393   1HE   LYS  51          2HE       LYS  51   2.963  16.470  -1.603
  394   2HE   LYS  51          1HE       LYS  51   3.167  16.930   0.088
  395   1HZ   LYS  51          1HZ       LYS  51   2.493  14.831   0.811
  396   2HZ   LYS  51          2HZ       LYS  51   3.518  14.509  -0.505
  397   3HZ   LYS  51          3HZ       LYS  51   1.833  14.411  -0.693
  398    H    SER  52           H        SER  52  -0.341  19.590  -2.632
  399    HA   SER  52           HA       SER  52  -2.121  21.789  -2.100
  400   1HB   SER  52          2HB       SER  52  -2.523  20.459  -4.060
  401   2HB   SER  52          1HB       SER  52  -2.605  18.981  -3.104
  402    HG   SER  52           HG       SER  52  -4.687  19.628  -3.472
  403    HA   PRO  53           HA       PRO  53  -3.103  20.098   2.012
  404   1HB   PRO  53          2HB       PRO  53  -4.404  22.198   3.045
  405   2HB   PRO  53          1HB       PRO  53  -2.664  22.305   2.689
  406   1HG   PRO  53          2HG       PRO  53  -4.980  23.273   1.050
  407   2HG   PRO  53          1HG       PRO  53  -3.486  24.130   1.489
  408   1HD   PRO  53          2HD       PRO  53  -3.830  22.858  -0.929
  409   2HD   PRO  53          1HD       PRO  53  -2.239  23.071  -0.160
  410    H    ASP  54           H        ASP  54  -5.405  21.303  -0.324
  411    HA   ASP  54           HA       ASP  54  -7.604  20.693  -0.778
  412   1HB   ASP  54          2HB       ASP  54  -6.481  18.378  -0.314
  413   2HB   ASP  54          1HB       ASP  54  -7.354  18.431   1.212
  414    H    SER  55           H        SER  55  -9.178  19.308   1.619
  415    HA   SER  55           HA       SER  55  -9.207  21.448   3.596
  416   1HB   SER  55          2HB       SER  55 -10.581  22.793   2.362
  417   2HB   SER  55          1HB       SER  55 -11.039  21.483   1.281
  418    HG   SER  55           HG       SER  55 -12.184  22.339   3.673
  419    HA   PRO  56           HA       PRO  56 -12.735  17.989   4.349
  420   1HB   PRO  56          2HB       PRO  56 -11.005  15.890   3.086
  421   2HB   PRO  56          1HB       PRO  56 -12.773  15.908   3.285
  422   1HG   PRO  56          2HG       PRO  56 -11.820  16.554   0.957
  423   2HG   PRO  56          1HG       PRO  56 -13.022  17.637   1.684
  424   1HD   PRO  56          2HD       PRO  56 -10.033  17.956   1.595
  425   2HD   PRO  56          1HD       PRO  56 -11.287  19.173   1.246
  426    H    GLU  57           H        GLU  57 -11.341  18.910   6.272
  427    HA   GLU  57           HA       GLU  57  -9.945  18.520   8.152
  428   1HB   GLU  57          2HB       GLU  57 -11.402  15.862   7.948
  429   2HB   GLU  57          1HB       GLU  57 -10.675  16.543   9.404
  430   1HG   GLU  57          2HG       GLU  57 -12.215  18.442   9.325
  431   2HG   GLU  57          1HG       GLU  57 -12.910  17.844   7.819
  432    H    MET  58           H        MET  58  -8.731  17.848   5.582
  433    HA   MET  58           HA       MET  58  -6.804  16.849   4.781
  434   1HB   MET  58          2HB       MET  58  -6.326  15.785   7.570
  435   2HB   MET  58          1HB       MET  58  -5.162  16.124   6.305
  436   1HG   MET  58          2HG       MET  58  -4.856  18.059   7.489
  437   2HG   MET  58          1HG       MET  58  -6.242  18.598   6.544
  438   1HE   MET  58          1HE       MET  58  -5.859  18.008  10.995
  439   2HE   MET  58          2HE       MET  58  -4.749  18.690   9.809
  440   3HE   MET  58          3HE       MET  58  -5.023  16.950   9.849
  441    H    LYS  59           H        LYS  59  -9.364  15.200   6.167
  442    HA   LYS  59           HA       LYS  59  -8.746  12.485   6.149
  443   1HB   LYS  59          2HB       LYS  59 -11.001  13.604   6.600
  444   2HB   LYS  59          1HB       LYS  59 -11.215  13.682   4.845
  445   1HG   LYS  59          2HG       LYS  59 -10.418  10.972   5.570
  446   2HG   LYS  59          1HG       LYS  59 -11.763  11.451   6.600
  447   1HD   LYS  59          2HD       LYS  59 -13.167  11.897   4.716
  448   2HD   LYS  59          1HD       LYS  59 -11.810  11.803   3.591
  449   1HE   LYS  59          2HE       LYS  59 -13.134   9.731   3.516
  450   2HE   LYS  59          1HE       LYS  59 -11.520   9.413   4.150
  451   1HZ   LYS  59          1HZ       LYS  59 -12.334   8.843   6.132
  452   2HZ   LYS  59          2HZ       LYS  59 -13.835   8.703   5.347
  453   3HZ   LYS  59          3HZ       LYS  59 -13.434  10.134   6.170
  454    H    ASP  60           H        ASP  60  -9.603  14.568   3.428
  455    HA   ASP  60           HA       ASP  60  -9.587  12.671   1.374
  456   1HB   ASP  60          2HB       ASP  60 -10.352  14.799   0.822
  457   2HB   ASP  60          1HB       ASP  60  -8.954  15.611   1.516
  458    H    PHE  61           H        PHE  61  -6.863  14.080   3.111
  459    HA   PHE  61           HA       PHE  61  -4.874  13.113   1.198
  460   1HB   PHE  61          2HB       PHE  61  -4.559  15.000   2.934
  461   2HB   PHE  61          1HB       PHE  61  -4.398  13.715   4.129
  462    HD1  PHE  61           1HD      PHE  61  -2.218  13.019   4.611
  463    HD2  PHE  61           2HD      PHE  61  -3.101  14.525   0.681
  464    HE1  PHE  61           1HE      PHE  61   0.162  12.746   3.968
  465    HE2  PHE  61           2HE      PHE  61  -0.723  14.245   0.043
  466    HZ   PHE  61           HZ       PHE  61   0.913  13.356   1.684
  467    H    ARG  62           H        ARG  62  -5.928  12.138   4.450
  468    HA   ARG  62           HA       ARG  62  -4.551   9.642   4.527
  469   1HB   ARG  62          2HB       ARG  62  -7.146  10.483   5.859
  470   2HB   ARG  62          1HB       ARG  62  -6.178   9.096   6.333
  471   1HG   ARG  62          2HG       ARG  62  -4.844  10.415   7.624
  472   2HG   ARG  62          1HG       ARG  62  -4.431  11.408   6.230
  473   1HD   ARG  62          2HD       ARG  62  -6.475  12.746   6.576
  474   2HD   ARG  62          1HD       ARG  62  -6.886  11.738   7.962
  475    HE   ARG  62           HE       ARG  62  -4.241  13.024   8.100
  476   1HH1  ARG  62          1HH2      ARG  62  -7.609  13.104   8.859
  477   2HH1  ARG  62          2HH2      ARG  62  -7.417  14.206  10.181
  478   1HH2  ARG  62          1HH1      ARG  62  -3.982  14.465   9.818
  479   2HH2  ARG  62          2HH1      ARG  62  -5.369  14.979  10.719
  480    H    HIS  63           H        HIS  63  -7.549  10.671   3.043
  481    HA   HIS  63           HA       HIS  63  -8.701   8.074   2.534
  482   1HB   HIS  63          2HB       HIS  63  -9.671  10.522   2.214
  483   2HB   HIS  63          1HB       HIS  63  -8.995  10.373   0.595
  484    HD1  HIS  63           1HD      HIS  63 -10.376   7.397   2.406
  485    HD2  HIS  63           2HD      HIS  63 -11.575  10.026  -0.594
  486    HE1  HIS  63           1HE      HIS  63 -12.444   6.402   1.384
  487    H    GLY  64           H        GLY  64  -6.263  10.029   0.831
  488   1HA   GLY  64          2HA       GLY  64  -6.131   8.314  -1.474
  489   2HA   GLY  64          1HA       GLY  64  -4.828   9.367  -0.923
  490    H    PHE  65           H        PHE  65  -4.879   8.132   1.784
  491    HA   PHE  65           HA       PHE  65  -3.110   5.853   1.181
  492   1HB   PHE  65          2HB       PHE  65  -3.921   7.339   3.682
  493   2HB   PHE  65          1HB       PHE  65  -3.152   5.760   3.821
  494    HD1  PHE  65           1HD      PHE  65  -2.654   9.286   3.123
  495    HD2  PHE  65           2HD      PHE  65  -0.886   5.387   2.768
  496    HE1  PHE  65           1HE      PHE  65  -0.433  10.322   2.744
  497    HE2  PHE  65           2HE      PHE  65   1.333   6.429   2.388
  498    HZ   PHE  65           HZ       PHE  65   1.556   8.900   2.369
  499    H    ASP  66           H        ASP  66  -6.279   6.450   2.663
  500    HA   ASP  66           HA       ASP  66  -6.781   3.656   3.258
  501   1HB   ASP  66          2HB       ASP  66  -7.917   5.687   4.346
  502   2HB   ASP  66          1HB       ASP  66  -8.890   5.785   2.877
  503    H    ILE  67           H        ILE  67  -7.806   5.900   0.693
  504    HA   ILE  67           HA       ILE  67  -9.410   4.097  -0.775
  505    HB   ILE  67           HB       ILE  67  -7.697   6.440  -1.655
  506   1HG1  ILE  67          2HG1      ILE  67  -9.682   6.933  -0.242
  507   2HG1  ILE  67          1HG1      ILE  67  -9.874   7.573  -1.872
  508   1HG2  ILE  67          1HG2      ILE  67  -9.135   6.299  -3.783
  509   2HG2  ILE  67          2HG2      ILE  67  -9.452   4.629  -3.308
  510   3HG2  ILE  67          3HG2      ILE  67  -7.801   5.156  -3.631
  511   1HD1  ILE  67          1HD1      ILE  67 -11.345   5.370  -0.505
  512   2HD1  ILE  67          2HD1      ILE  67 -11.048   5.156  -2.226
  513   3HD1  ILE  67          3HD1      ILE  67 -11.931   6.566  -1.655
  514    H    LEU  68           H        LEU  68  -5.909   4.777  -1.071
  515    HA   LEU  68           HA       LEU  68  -5.402   2.896  -3.138
  516   1HB   LEU  68          2HB       LEU  68  -3.697   4.516  -2.474
  517   2HB   LEU  68          1HB       LEU  68  -3.618   3.831  -0.858
  518    HG   LEU  68           HG       LEU  68  -1.750   3.161  -2.472
  519   1HD1  LEU  68          1HD1      LEU  68  -1.415   1.230  -1.321
  520   2HD1  LEU  68          2HD1      LEU  68  -3.003   0.577  -1.707
  521   3HD1  LEU  68          3HD1      LEU  68  -2.823   1.741  -0.399
  522   1HD2  LEU  68          1HD2      LEU  68  -3.804   1.288  -3.650
  523   2HD2  LEU  68          2HD2      LEU  68  -2.176   1.632  -4.227
  524   3HD2  LEU  68          3HD2      LEU  68  -3.440   2.850  -4.385
  525    H    VAL  69           H        VAL  69  -5.397   2.539   0.396
  526    HA   VAL  69           HA       VAL  69  -4.698  -0.194   0.493
  527    HB   VAL  69           HB       VAL  69  -6.289   1.612   2.309
  528   1HG1  VAL  69          1HG1      VAL  69  -7.199  -0.530   2.775
  529   2HG1  VAL  69          2HG1      VAL  69  -5.988  -0.232   4.015
  530   3HG1  VAL  69          3HG1      VAL  69  -5.619  -1.303   2.663
  531   1HG2  VAL  69          1HG2      VAL  69  -3.634   0.258   2.776
  532   2HG2  VAL  69          2HG2      VAL  69  -4.308   1.643   3.633
  533   3HG2  VAL  69          3HG2      VAL  69  -3.752   1.818   1.967
  534    H    GLY  70           H        GLY  70  -7.418   1.384  -0.756
  535   1HA   GLY  70          2HA       GLY  70  -9.391  -0.671  -0.183
  536   2HA   GLY  70          1HA       GLY  70  -9.581   0.648  -1.338
  537    H    GLN  71           H        GLN  71  -7.310   0.133  -2.993
  538    HA   GLN  71           HA       GLN  71  -8.383  -2.042  -4.581
  539   1HB   GLN  71          2HB       GLN  71  -6.795  -1.477  -6.197
  540   2HB   GLN  71          1HB       GLN  71  -6.944   0.044  -5.326
  541   1HG   GLN  71          2HG       GLN  71  -4.627  -0.218  -5.451
  542   2HG   GLN  71          1HG       GLN  71  -4.973  -0.892  -3.868
  543   1HE2  GLN  71          1HE2      GLN  71  -6.284  -3.206  -5.705
  544   2HE2  GLN  71          2HE2      GLN  71  -4.936  -4.195  -5.996
  545    H    ILE  72           H        ILE  72  -5.983  -1.720  -2.108
  546    HA   ILE  72           HA       ILE  72  -4.880  -4.406  -2.456
  547    HB   ILE  72           HB       ILE  72  -4.729  -2.311  -0.279
  548   1HG1  ILE  72          2HG1      ILE  72  -2.587  -3.571  -2.018
  549   2HG1  ILE  72          1HG1      ILE  72  -3.404  -2.060  -2.411
  550   1HG2  ILE  72          1HG2      ILE  72  -3.786  -5.178  -0.254
  551   2HG2  ILE  72          2HG2      ILE  72  -4.625  -4.284   1.012
  552   3HG2  ILE  72          3HG2      ILE  72  -2.928  -3.948   0.675
  553   1HD1  ILE  72          1HD1      ILE  72  -2.625  -1.416   0.077
  554   2HD1  ILE  72          2HD1      ILE  72  -1.553  -1.213  -1.305
  555   3HD1  ILE  72          3HD1      ILE  72  -1.391  -2.629  -0.270
  556    H    ASP  73           H        ASP  73  -7.455  -2.804  -0.669
  557    HA   ASP  73           HA       ASP  73  -8.082  -4.864   1.187
  558   1HB   ASP  73          2HB       ASP  73  -9.048  -2.561   1.226
  559   2HB   ASP  73          1HB       ASP  73 -10.037  -2.984  -0.170
  560    H    ASP  74           H        ASP  74  -9.547  -4.217  -2.016
  561    HA   ASP  74           HA       ASP  74 -11.132  -6.603  -2.064
  562   1HB   ASP  74          2HB       ASP  74 -11.586  -4.716  -3.566
  563   2HB   ASP  74          1HB       ASP  74 -10.024  -4.942  -4.354
  564    H    ALA  75           H        ALA  75  -7.762  -5.972  -2.864
  565    HA   ALA  75           HA       ALA  75  -7.409  -8.469  -4.292
  566   1HB   ALA  75          1HB       ALA  75  -5.834  -6.596  -4.626
  567   2HB   ALA  75          2HB       ALA  75  -4.976  -8.010  -4.014
  568   3HB   ALA  75          3HB       ALA  75  -5.366  -6.675  -2.929
  569    H    LEU  76           H        LEU  76  -7.197  -7.424  -0.921
  570    HA   LEU  76           HA       LEU  76  -5.894  -9.677   0.154
  571   1HB   LEU  76          2HB       LEU  76  -7.099  -7.385   1.133
  572   2HB   LEU  76          1HB       LEU  76  -8.227  -8.601   1.679
  573    HG   LEU  76           HG       LEU  76  -5.459  -9.445   2.242
  574   1HD1  LEU  76          1HD1      LEU  76  -5.247  -6.887   2.335
  575   2HD1  LEU  76          2HD1      LEU  76  -4.758  -7.786   3.770
  576   3HD1  LEU  76          3HD1      LEU  76  -6.321  -6.974   3.730
  577   1HD2  LEU  76          1HD2      LEU  76  -7.641 -10.265   3.273
  578   2HD2  LEU  76          2HD2      LEU  76  -7.672  -8.755   4.184
  579   3HD2  LEU  76          3HD2      LEU  76  -6.346  -9.896   4.414
  580    H    LYS  77           H        LYS  77  -9.145  -9.126  -0.998
  581    HA   LYS  77           HA       LYS  77 -10.354 -11.529  -0.049
  582   1HB   LYS  77          2HB       LYS  77 -11.479  -9.430  -1.022
  583   2HB   LYS  77          1HB       LYS  77 -11.031 -10.064  -2.610
  584   1HG   LYS  77          2HG       LYS  77 -13.164 -10.977  -2.340
  585   2HG   LYS  77          1HG       LYS  77 -12.128 -12.274  -1.746
  586   1HD   LYS  77          2HD       LYS  77 -12.469 -10.863   0.574
  587   2HD   LYS  77          1HD       LYS  77 -13.986 -10.484  -0.237
  588   1HE   LYS  77          2HE       LYS  77 -14.273 -12.988  -0.618
  589   2HE   LYS  77          1HE       LYS  77 -12.895 -13.225   0.462
  590   1HZ   LYS  77          1HZ       LYS  77 -14.488 -13.237   2.027
  591   2HZ   LYS  77          2HZ       LYS  77 -15.608 -12.396   1.065
  592   3HZ   LYS  77          3HZ       LYS  77 -14.392 -11.548   1.895
  593    H    LEU  78           H        LEU  78  -8.780 -10.639  -3.112
  594    HA   LEU  78           HA       LEU  78  -9.171 -13.111  -4.437
  595   1HB   LEU  78          2HB       LEU  78  -7.329 -10.777  -4.702
  596   2HB   LEU  78          1HB       LEU  78  -6.778 -12.269  -5.479
  597    HG   LEU  78           HG       LEU  78  -8.913 -12.433  -6.700
  598   1HD1  LEU  78          1HD1      LEU  78  -9.553  -9.961  -5.078
  599   2HD1  LEU  78          2HD1      LEU  78 -10.519 -11.422  -5.286
  600   3HD1  LEU  78          3HD1      LEU  78 -10.363 -10.274  -6.612
  601   1HD2  LEU  78          1HD2      LEU  78  -6.870 -10.948  -7.435
  602   2HD2  LEU  78          2HD2      LEU  78  -7.943  -9.596  -7.091
  603   3HD2  LEU  78          3HD2      LEU  78  -8.394 -10.788  -8.309
  604    H    ALA  79           H        ALA  79  -6.876 -12.088  -2.010
  605    HA   ALA  79           HA       ALA  79  -5.092 -14.335  -2.189
  606   1HB   ALA  79          1HB       ALA  79  -4.779 -12.125  -0.884
  607   2HB   ALA  79          2HB       ALA  79  -4.251 -13.602  -0.079
  608   3HB   ALA  79          3HB       ALA  79  -5.782 -12.857   0.365
  609    H    ASN  80           H        ASN  80  -7.891 -13.656  -0.064
  610    HA   ASN  80           HA       ASN  80  -7.871 -16.304   1.089
  611   1HB   ASN  80          2HB       ASN  80  -8.915 -13.975   1.928
  612   2HB   ASN  80          1HB       ASN  80 -10.364 -14.649   1.187
  613   1HD2  ASN  80          1HD2      ASN  80  -7.657 -15.886   3.220
  614   2HD2  ASN  80          2HD2      ASN  80  -8.637 -16.791   4.232
  615    H    GLU  81           H        GLU  81  -9.012 -15.170  -1.928
  616    HA   GLU  81           HA       GLU  81 -11.130 -17.252  -2.093
  617   1HB   GLU  81          2HB       GLU  81 -10.234 -15.074  -3.978
  618   2HB   GLU  81          1HB       GLU  81 -11.404 -16.301  -4.439
  619   1HG   GLU  81          2HG       GLU  81 -11.718 -14.566  -1.980
  620   2HG   GLU  81          1HG       GLU  81 -12.409 -14.148  -3.548
  621    H    GLY  82           H        GLY  82  -7.805 -16.939  -2.697
  622   1HA   GLY  82          2HA       GLY  82  -6.448 -18.830  -3.338
  623   2HA   GLY  82          1HA       GLY  82  -7.831 -19.516  -4.184
  624    H    LYS  83           H        LYS  83  -7.442 -16.183  -4.835
  625    HA   LYS  83           HA       LYS  83  -6.398 -16.858  -7.546
  626   1HB   LYS  83          2HB       LYS  83  -7.288 -14.106  -6.730
  627   2HB   LYS  83          1HB       LYS  83  -7.307 -14.853  -8.318
  628   1HG   LYS  83          2HG       LYS  83  -9.120 -15.482  -5.995
  629   2HG   LYS  83          1HG       LYS  83  -9.567 -14.753  -7.525
  630   1HD   LYS  83          2HD       LYS  83  -8.787 -16.854  -8.679
  631   2HD   LYS  83          1HD       LYS  83  -8.591 -17.588  -7.091
  632   1HE   LYS  83          2HE       LYS  83 -10.907 -17.503  -6.630
  633   2HE   LYS  83          1HE       LYS  83 -11.209 -16.335  -7.917
  634   1HZ   LYS  83          1HZ       LYS  83 -11.630 -18.936  -8.194
  635   2HZ   LYS  83          2HZ       LYS  83 -10.018 -18.863  -8.723
  636   3HZ   LYS  83          3HZ       LYS  83 -11.210 -17.927  -9.491
  637    H    VAL  84           H        VAL  84  -4.270 -17.230  -6.773
  638    HA   VAL  84           HA       VAL  84  -2.705 -15.134  -5.508
  639    HB   VAL  84           HB       VAL  84  -1.750 -17.670  -6.883
  640   1HG1  VAL  84          1HG1      VAL  84   0.152 -17.300  -5.180
  641   2HG1  VAL  84          2HG1      VAL  84  -0.466 -15.655  -5.035
  642   3HG1  VAL  84          3HG1      VAL  84   0.119 -16.244  -6.592
  643   1HG2  VAL  84          1HG2      VAL  84  -3.183 -18.436  -5.185
  644   2HG2  VAL  84          2HG2      VAL  84  -2.775 -17.104  -4.108
  645   3HG2  VAL  84          3HG2      VAL  84  -1.612 -18.401  -4.386
  646    H    LYS  85           H        LYS  85  -2.701 -16.604  -8.780
  647    HA   LYS  85           HA       LYS  85  -0.758 -14.894  -9.907
  648   1HB   LYS  85          2HB       LYS  85  -3.173 -16.283 -11.077
  649   2HB   LYS  85          1HB       LYS  85  -2.138 -15.265 -12.079
  650   1HG   LYS  85          2HG       LYS  85  -0.260 -16.647 -11.785
  651   2HG   LYS  85          1HG       LYS  85  -0.923 -17.420 -10.348
  652   1HD   LYS  85          2HD       LYS  85  -2.454 -17.752 -12.911
  653   2HD   LYS  85          1HD       LYS  85  -0.937 -18.633 -12.761
  654   1HE   LYS  85          2HE       LYS  85  -3.058 -19.845 -11.962
  655   2HE   LYS  85          1HE       LYS  85  -1.688 -19.830 -10.852
  656   1HZ   LYS  85          1HZ       LYS  85  -2.738 -17.769  -9.877
  657   2HZ   LYS  85          2HZ       LYS  85  -3.539 -19.238  -9.576
  658   3HZ   LYS  85          3HZ       LYS  85  -4.134 -18.168 -10.756
  659    H    GLU  86           H        GLU  86  -4.233 -14.391  -9.404
  660    HA   GLU  86           HA       GLU  86  -4.290 -11.814 -10.718
  661   1HB   GLU  86          2HB       GLU  86  -6.152 -12.898  -8.571
  662   2HB   GLU  86          1HB       GLU  86  -6.460 -11.513  -9.624
  663   1HG   GLU  86          2HG       GLU  86  -5.876 -14.248 -10.772
  664   2HG   GLU  86          1HG       GLU  86  -7.511 -13.744 -10.358
  665    H    ALA  87           H        ALA  87  -3.867 -12.947  -7.379
  666    HA   ALA  87           HA       ALA  87  -3.763 -10.316  -6.226
  667   1HB   ALA  87          1HB       ALA  87  -2.956 -11.387  -4.246
  668   2HB   ALA  87          2HB       ALA  87  -2.317 -12.750  -5.165
  669   3HB   ALA  87          3HB       ALA  87  -4.059 -12.541  -4.997
  670    H    GLN  88           H        GLN  88  -1.180 -12.577  -7.175
  671    HA   GLN  88           HA       GLN  88   1.000 -10.840  -6.644
  672   1HB   GLN  88          2HB       GLN  88   2.079 -12.765  -7.181
  673   2HB   GLN  88          1HB       GLN  88   0.560 -13.468  -7.635
  674   1HG   GLN  88          2HG       GLN  88   0.844 -12.775  -9.935
  675   2HG   GLN  88          1HG       GLN  88   2.276 -11.852  -9.507
  676   1HE2  GLN  88          1HE2      GLN  88   1.206 -15.211  -8.742
  677   2HE2  GLN  88          2HE2      GLN  88   2.650 -15.931  -9.235
  678    H    ALA  89           H        ALA  89  -0.865 -11.399  -9.631
  679    HA   ALA  89           HA       ALA  89   0.547  -9.617 -11.313
  680   1HB   ALA  89          1HB       ALA  89  -1.178 -11.010 -12.270
  681   2HB   ALA  89          2HB       ALA  89  -1.691  -9.336 -12.488
  682   3HB   ALA  89          3HB       ALA  89  -2.401 -10.316 -11.206
  683    H    ALA  90           H        ALA  90  -1.880  -9.021  -8.811
  684    HA   ALA  90           HA       ALA  90  -2.248  -6.217  -9.391
  685   1HB   ALA  90          1HB       ALA  90  -3.370  -6.108  -7.306
  686   2HB   ALA  90          2HB       ALA  90  -2.407  -7.415  -6.614
  687   3HB   ALA  90          3HB       ALA  90  -3.640  -7.770  -7.825
  688    H    ALA  91           H        ALA  91   0.141  -8.120  -7.718
  689    HA   ALA  91           HA       ALA  91   1.475  -6.217  -6.145
  690   1HB   ALA  91          1HB       ALA  91   2.043  -8.729  -6.545
  691   2HB   ALA  91          2HB       ALA  91   3.379  -7.618  -6.256
  692   3HB   ALA  91          3HB       ALA  91   3.013  -8.143  -7.896
  693    H    GLU  92           H        GLU  92   1.919  -6.914  -9.614
  694    HA   GLU  92           HA       GLU  92   3.765  -4.761 -10.014
  695   1HB   GLU  92          2HB       GLU  92   1.988  -6.195 -12.000
  696   2HB   GLU  92          1HB       GLU  92   3.303  -5.099 -12.426
  697   1HG   GLU  92          2HG       GLU  92   4.490  -7.089 -12.498
  698   2HG   GLU  92          1HG       GLU  92   4.693  -6.725 -10.783
  699    H    GLN  93           H        GLN  93   0.313  -4.885  -9.723
  700    HA   GLN  93           HA       GLN  93  -0.160  -2.361 -11.078
  701   1HB   GLN  93          2HB       GLN  93  -1.932  -4.152 -10.481
  702   2HB   GLN  93          1HB       GLN  93  -1.835  -3.551  -8.833
  703   1HG   GLN  93          2HG       GLN  93  -2.238  -1.432 -10.894
  704   2HG   GLN  93          1HG       GLN  93  -3.568  -2.572 -10.731
  705   1HE2  GLN  93          1HE2      GLN  93  -1.384  -1.291  -8.146
  706   2HE2  GLN  93          2HE2      GLN  93  -2.635  -0.600  -7.233
  707    H    LEU  94           H        LEU  94   0.671  -3.506  -7.866
  708    HA   LEU  94           HA       LEU  94   0.459  -0.927  -6.599
  709   1HB   LEU  94          2HB       LEU  94   1.752  -3.536  -5.836
  710   2HB   LEU  94          1HB       LEU  94   2.041  -2.088  -4.880
  711    HG   LEU  94           HG       LEU  94  -0.562  -1.849  -4.832
  712   1HD1  LEU  94          1HD1      LEU  94  -1.693  -4.110  -4.959
  713   2HD1  LEU  94          2HD1      LEU  94  -0.233  -4.723  -5.715
  714   3HD1  LEU  94          3HD1      LEU  94  -1.166  -3.457  -6.511
  715   1HD2  LEU  94          1HD2      LEU  94   1.180  -2.915  -3.016
  716   2HD2  LEU  94          2HD2      LEU  94   0.108  -4.289  -3.263
  717   3HD2  LEU  94          3HD2      LEU  94  -0.543  -2.743  -2.739
  718    H    LYS  95           H        LYS  95   3.134  -2.744  -8.138
  719    HA   LYS  95           HA       LYS  95   5.326  -1.131  -7.500
  720   1HB   LYS  95          2HB       LYS  95   4.496  -2.455 -10.096
  721   2HB   LYS  95          1HB       LYS  95   5.939  -1.458 -10.042
  722   1HG   LYS  95          2HG       LYS  95   5.876  -4.181  -9.556
  723   2HG   LYS  95          1HG       LYS  95   7.176  -3.109  -9.128
  724   1HD   LYS  95          2HD       LYS  95   4.953  -3.370  -7.126
  725   2HD   LYS  95          1HD       LYS  95   5.998  -4.755  -7.355
  726   1HE   LYS  95          2HE       LYS  95   7.878  -3.678  -6.546
  727   2HE   LYS  95          1HE       LYS  95   7.331  -2.081  -7.055
  728   1HZ   LYS  95          1HZ       LYS  95   5.608  -2.239  -5.299
  729   2HZ   LYS  95          2HZ       LYS  95   7.196  -2.225  -4.693
  730   3HZ   LYS  95          3HZ       LYS  95   6.326  -3.682  -4.773
  731    H    THR  96           H        THR  96   2.716  -0.532  -9.798
  732    HA   THR  96           HA       THR  96   3.725   2.049 -10.678
  733    HB   THR  96           HB       THR  96   0.961   0.808 -10.867
  734    HG1  THR  96           1HG      THR  96   3.192   0.281 -12.100
  735   1HG2  THR  96          1HG2      THR  96   0.605   3.139 -11.074
  736   2HG2  THR  96          2HG2      THR  96   0.760   2.574 -12.737
  737   3HG2  THR  96          3HG2      THR  96   2.117   3.378 -11.950
  738    H    THR  97           H        THR  97   1.591   0.979  -8.044
  739    HA   THR  97           HA       THR  97   0.425   3.498  -7.435
  740    HB   THR  97           HB       THR  97   1.091   1.081  -5.785
  741    HG1  THR  97           1HG      THR  97  -1.310   2.522  -5.880
  742   1HG2  THR  97          1HG2      THR  97   0.435   3.804  -4.696
  743   2HG2  THR  97          2HG2      THR  97   1.703   2.689  -4.182
  744   3HG2  THR  97          3HG2      THR  97   0.013   2.331  -3.820
  745    H    ILE  98           H        ILE  98   3.502   2.030  -6.504
  746    HA   ILE  98           HA       ILE  98   4.517   4.036  -4.813
  747    HB   ILE  98           HB       ILE  98   6.066   2.451  -6.858
  748   1HG1  ILE  98          2HG1      ILE  98   5.248   1.724  -4.028
  749   2HG1  ILE  98          1HG1      ILE  98   4.603   0.999  -5.501
  750   1HG2  ILE  98          1HG2      ILE  98   7.933   2.712  -5.316
  751   2HG2  ILE  98          2HG2      ILE  98   6.896   3.532  -4.149
  752   3HG2  ILE  98          3HG2      ILE  98   7.283   4.308  -5.684
  753   1HD1  ILE  98          1HD1      ILE  98   6.328  -0.462  -4.622
  754   2HD1  ILE  98          2HD1      ILE  98   7.471   0.876  -4.530
  755   3HD1  ILE  98          3HD1      ILE  98   6.932   0.284  -6.101
  756    H    ARG  99           H        ARG  99   4.731   3.738  -8.377
  757    HA   ARG  99           HA       ARG  99   6.217   6.121  -8.766
  758   1HB   ARG  99          2HB       ARG  99   5.901   4.387 -10.509
  759   2HB   ARG  99          1HB       ARG  99   4.211   4.871 -10.657
  760   1HG   ARG  99          2HG       ARG  99   4.743   6.966 -11.566
  761   2HG   ARG  99          1HG       ARG  99   6.391   6.939 -10.937
  762   1HD   ARG  99          2HD       ARG  99   6.881   5.034 -12.512
  763   2HD   ARG  99          1HD       ARG  99   5.281   5.274 -13.216
  764    HE   ARG  99           HE       ARG  99   6.456   7.783 -13.297
  765   1HH1  ARG  99          1HH2      ARG  99   7.239   4.600 -14.340
  766   2HH1  ARG  99          2HH2      ARG  99   8.140   5.125 -15.722
  767   1HH2  ARG  99          1HH1      ARG  99   7.646   8.498 -15.090
  768   2HH2  ARG  99          2HH1      ARG  99   8.374   7.333 -16.144
  769    H    ALA 100           H        ALA 100   2.672   5.623  -9.120
  770    HA   ALA 100           HA       ALA 100   2.075   8.388  -9.525
  771   1HB   ALA 100          1HB       ALA 100   0.533   6.355  -9.861
  772   2HB   ALA 100          2HB       ALA 100  -0.205   7.794  -9.157
  773   3HB   ALA 100          3HB       ALA 100   0.238   6.433  -8.125
  774    H    TYR 101           H        TYR 101   2.720   6.506  -6.664
  775    HA   TYR 101           HA       TYR 101   1.697   8.420  -4.759
  776   1HB   TYR 101          2HB       TYR 101   1.990   6.194  -3.969
  777   2HB   TYR 101          1HB       TYR 101   3.611   6.106  -4.623
  778    HD1  TYR 101           1HD      TYR 101   5.440   7.495  -3.627
  779    HD2  TYR 101           2HD      TYR 101   1.613   7.006  -1.747
  780    HE1  TYR 101           1HE      TYR 101   6.406   8.221  -1.478
  781    HE2  TYR 101           2HE      TYR 101   2.584   7.742   0.415
  782    HH   TYR 101           HH       TYR 101   5.852   7.869   1.010
  783    H    ASN 102           H        ASN 102   4.700   7.948  -6.527
  784    HA   ASN 102           HA       ASN 102   6.255   9.740  -4.947
  785   1HB   ASN 102          2HB       ASN 102   7.729   8.613  -6.263
  786   2HB   ASN 102          1HB       ASN 102   6.583   8.441  -7.588
  787   1HD2  ASN 102          1HD2      ASN 102   7.546  11.579  -6.133
  788   2HD2  ASN 102          2HD2      ASN 102   8.337  12.156  -7.521
  789    H    GLN 103           H        GLN 103   3.935  10.267  -7.549
  790    HA   GLN 103           HA       GLN 103   4.601  13.022  -8.002
  791   1HB   GLN 103          2HB       GLN 103   3.137  12.029  -9.604
  792   2HB   GLN 103          1HB       GLN 103   2.091  11.352  -8.360
  793   1HG   GLN 103          2HG       GLN 103   2.433  14.323  -8.532
  794   2HG   GLN 103          1HG       GLN 103   1.357  13.529  -9.676
  795   1HE2  GLN 103          1HE2      GLN 103   1.413  11.762  -6.759
  796   2HE2  GLN 103          2HE2      GLN 103   0.018  12.419  -6.051
  797    H    LYS 104           H        LYS 104   3.001  11.173  -5.601
  798    HA   LYS 104           HA       LYS 104   1.835  13.487  -4.201
  799   1HB   LYS 104          2HB       LYS 104   0.466  11.859  -3.405
  800   2HB   LYS 104          1HB       LYS 104   1.442  10.646  -4.207
  801   1HG   LYS 104          2HG       LYS 104   2.919  10.507  -2.250
  802   2HG   LYS 104          1HG       LYS 104   1.992  11.769  -1.454
  803   1HD   LYS 104          2HD       LYS 104   0.843   9.126  -2.365
  804   2HD   LYS 104          1HD       LYS 104   1.352   9.494  -0.724
  805   1HE   LYS 104          2HE       LYS 104  -0.890  10.026  -0.521
  806   2HE   LYS 104          1HE       LYS 104  -0.299  11.587  -1.086
  807   1HZ   LYS 104          1HZ       LYS 104  -1.441  11.371  -2.955
  808   2HZ   LYS 104          2HZ       LYS 104  -2.185   9.996  -2.293
  809   3HZ   LYS 104          3HZ       LYS 104  -0.799   9.833  -3.263
  810    H    TYR 105           H        TYR 105   4.715  11.432  -4.017
  811    HA   TYR 105           HA       TYR 105   5.563  12.799  -1.532
  812   1HB   TYR 105          2HB       TYR 105   6.312  10.719  -1.055
  813   2HB   TYR 105          1HB       TYR 105   5.996  10.188  -2.691
  814    HD1  TYR 105           1HD      TYR 105   7.782  11.290  -4.456
  815    HD2  TYR 105           2HD      TYR 105   8.508  10.412  -0.324
  816    HE1  TYR 105           1HE      TYR 105  10.218  11.112  -4.927
  817    HE2  TYR 105           2HE      TYR 105  10.938  10.244  -0.781
  818    HH   TYR 105           HH       TYR 105  12.386   9.705  -2.843
  819    H    GLY 106           H        GLY 106   5.655  13.474  -4.709
  820   1HA   GLY 106          2HA       GLY 106   7.932  15.310  -4.343
  821   2HA   GLY 106          1HA       GLY 106   8.154  14.090  -5.597
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1  16.114   7.192  10.460
    2   2H    ALA   1          2HT       ALA   1  15.465   5.648  10.743
    3   3H    ALA   1          3HT       ALA   1  14.825   7.002  11.546
    4    HA   ALA   1           HA       ALA   1  13.830   7.844   9.627
    5   1HB   ALA   1          1HB       ALA   1  15.769   7.508   8.144
    6   2HB   ALA   1          2HB       ALA   1  14.298   6.886   7.396
    7   3HB   ALA   1          3HB       ALA   1  15.458   5.772   8.121
    8    H    ASP   2           H        ASP   2  12.061   6.957  10.792
    9    HA   ASP   2           HA       ASP   2  11.396   4.109  10.557
   10   1HB   ASP   2          2HB       ASP   2  10.138   6.541  11.790
   11   2HB   ASP   2          1HB       ASP   2   9.188   5.064  11.615
   12    H    LEU   3           H        LEU   3  10.955   6.911   8.723
   13    HA   LEU   3           HA       LEU   3   8.409   6.075   7.513
   14   1HB   LEU   3          2HB       LEU   3  10.265   8.346   6.725
   15   2HB   LEU   3          1HB       LEU   3   8.606   8.118   6.175
   16    HG   LEU   3           HG       LEU   3   9.423   8.530   9.068
   17   1HD1  LEU   3          1HD1      LEU   3   9.795  10.531   7.632
   18   2HD1  LEU   3          2HD1      LEU   3   8.509  10.783   8.813
   19   3HD1  LEU   3          3HD1      LEU   3   8.106  10.453   7.129
   20   1HD2  LEU   3          1HD2      LEU   3   7.368   7.374   9.118
   21   2HD2  LEU   3          2HD2      LEU   3   6.783   8.154   7.648
   22   3HD2  LEU   3          3HD2      LEU   3   6.861   9.061   9.158
   23    H    GLU   4           H        GLU   4  11.756   6.623   6.386
   24    HA   GLU   4           HA       GLU   4  11.349   5.508   3.776
   25   1HB   GLU   4          2HB       GLU   4  13.931   5.424   5.364
   26   2HB   GLU   4          1HB       GLU   4  13.745   5.465   3.612
   27   1HG   GLU   4          2HG       GLU   4  12.940   7.692   5.504
   28   2HG   GLU   4          1HG       GLU   4  14.382   7.688   4.487
   29    H    ASP   5           H        ASP   5  11.778   4.253   6.944
   30    HA   ASP   5           HA       ASP   5  12.629   1.595   6.163
   31   1HB   ASP   5          2HB       ASP   5  13.123   2.170   8.380
   32   2HB   ASP   5          1HB       ASP   5  11.547   2.919   8.623
   33    H    ASN   6           H        ASN   6   9.476   2.942   7.223
   34    HA   ASN   6           HA       ASN   6   7.921   0.631   6.937
   35   1HB   ASN   6          2HB       ASN   6   6.554   2.280   7.772
   36   2HB   ASN   6          1HB       ASN   6   7.444   3.551   6.940
   37   1HD2  ASN   6          1HD2      ASN   6   7.065   3.461   4.410
   38   2HD2  ASN   6          2HD2      ASN   6   5.453   3.237   3.920
   39    H    TRP   7           H        TRP   7   8.964   2.946   4.450
   40    HA   TRP   7           HA       TRP   7   7.502   1.972   2.251
   41   1HB   TRP   7          2HB       TRP   7  10.209   3.258   2.556
   42   2HB   TRP   7          1HB       TRP   7   9.783   2.587   0.985
   43    HD1  TRP   7           HD       TRP   7   7.933   4.803   3.590
   44    HE1  TRP   7           1HE      TRP   7   6.762   6.707   2.307
   45    HE3  TRP   7           3HE      TRP   7   9.309   3.624  -1.182
   46    HZ2  TRP   7           2HZ      TRP   7   6.453   7.613  -0.392
   47    HZ3  TRP   7           3HZ      TRP   7   8.569   5.023  -3.088
   48    HH2  TRP   7           HH       TRP   7   7.143   7.014  -2.700
   49    H    GLU   8           H        GLU   8  10.731   0.835   3.360
   50    HA   GLU   8           HA       GLU   8  10.958  -1.236   1.478
   51   1HB   GLU   8          2HB       GLU   8  12.712  -0.444   3.123
   52   2HB   GLU   8          1HB       GLU   8  11.848  -1.360   4.359
   53   1HG   GLU   8          2HG       GLU   8  12.161  -3.401   3.172
   54   2HG   GLU   8          1HG       GLU   8  12.851  -2.569   1.783
   55    H    THR   9           H        THR   9   9.012  -0.989   4.404
   56    HA   THR   9           HA       THR   9   8.441  -3.809   4.602
   57    HB   THR   9           HB       THR   9   6.647  -1.590   5.604
   58    HG1  THR   9           1HG      THR   9   9.160  -2.451   6.414
   59   1HG2  THR   9          1HG2      THR   9   5.850  -3.965   5.683
   60   2HG2  THR   9          2HG2      THR   9   6.024  -3.226   7.275
   61   3HG2  THR   9          3HG2      THR   9   7.248  -4.351   6.687
   62    H    LEU  10           H        LEU  10   6.198  -1.174   3.545
   63    HA   LEU  10           HA       LEU  10   4.349  -2.988   2.386
   64   1HB   LEU  10          2HB       LEU  10   3.534  -1.074   1.016
   65   2HB   LEU  10          1HB       LEU  10   3.691  -0.685   2.724
   66    HG   LEU  10           HG       LEU  10   6.165   0.050   1.847
   67   1HD1  LEU  10          1HD1      LEU  10   4.304   0.813  -0.414
   68   2HD1  LEU  10          2HD1      LEU  10   5.504  -0.471  -0.534
   69   3HD1  LEU  10          3HD1      LEU  10   6.019   1.195  -0.278
   70   1HD2  LEU  10          1HD2      LEU  10   3.613   1.670   1.887
   71   2HD2  LEU  10          2HD2      LEU  10   5.208   2.399   1.704
   72   3HD2  LEU  10          3HD2      LEU  10   4.806   1.516   3.178
   73    H    ASN  11           H        ASN  11   7.384  -1.678   1.201
   74    HA   ASN  11           HA       ASN  11   7.011  -2.601  -1.531
   75   1HB   ASN  11          2HB       ASN  11   8.741  -0.861  -0.565
   76   2HB   ASN  11          1HB       ASN  11   9.744  -2.282  -0.271
   77   1HD2  ASN  11          1HD2      ASN  11   8.531  -3.642  -2.750
   78   2HD2  ASN  11          2HD2      ASN  11   9.265  -2.869  -4.072
   79    H    ASP  12           H        ASP  12   8.960  -3.819   1.205
   80    HA   ASP  12           HA       ASP  12   9.745  -6.283   0.037
   81   1HB   ASP  12          2HB       ASP  12  10.810  -5.495   2.061
   82   2HB   ASP  12          1HB       ASP  12   9.279  -5.513   2.935
   83    H    ASN  13           H        ASN  13   6.667  -5.232   1.054
   84    HA   ASN  13           HA       ASN  13   5.541  -7.803   1.782
   85   1HB   ASN  13          2HB       ASN  13   4.656  -5.034   1.463
   86   2HB   ASN  13          1HB       ASN  13   3.490  -6.127   0.780
   87   1HD2  ASN  13          1HD2      ASN  13   3.592  -4.375   3.345
   88   2HD2  ASN  13          2HD2      ASN  13   3.061  -5.447   4.564
   89    H    LEU  14           H        LEU  14   5.437  -5.724  -1.107
   90    HA   LEU  14           HA       LEU  14   3.939  -7.403  -2.798
   91   1HB   LEU  14          2HB       LEU  14   6.114  -5.388  -3.344
   92   2HB   LEU  14          1HB       LEU  14   5.241  -6.188  -4.650
   93    HG   LEU  14           HG       LEU  14   3.643  -4.909  -2.439
   94   1HD1  LEU  14          1HD1      LEU  14   4.974  -3.411  -4.711
   95   2HD1  LEU  14          2HD1      LEU  14   5.213  -3.146  -2.984
   96   3HD1  LEU  14          3HD1      LEU  14   3.659  -2.768  -3.727
   97   1HD2  LEU  14          1HD2      LEU  14   2.702  -6.281  -4.393
   98   2HD2  LEU  14          2HD2      LEU  14   3.178  -4.935  -5.428
   99   3HD2  LEU  14          3HD2      LEU  14   2.005  -4.687  -4.143
  100    H    LYS  15           H        LYS  15   7.363  -7.588  -1.950
  101    HA   LYS  15           HA       LYS  15   8.038  -9.363  -4.121
  102   1HB   LYS  15          2HB       LYS  15   9.777  -8.152  -2.889
  103   2HB   LYS  15          1HB       LYS  15   9.367  -9.026  -1.417
  104   1HG   LYS  15          2HG       LYS  15   9.851 -10.926  -3.599
  105   2HG   LYS  15          1HG       LYS  15  11.223  -9.836  -3.439
  106   1HD   LYS  15          2HD       LYS  15  10.033 -11.196  -1.014
  107   2HD   LYS  15          1HD       LYS  15  11.220 -12.009  -2.029
  108   1HE   LYS  15          2HE       LYS  15  12.906 -10.444  -1.536
  109   2HE   LYS  15          1HE       LYS  15  11.750  -9.234  -0.974
  110   1HZ   LYS  15          1HZ       LYS  15  11.281 -10.551   0.943
  111   2HZ   LYS  15          2HZ       LYS  15  12.966 -10.366   0.833
  112   3HZ   LYS  15          3HZ       LYS  15  12.238 -11.830   0.375
  113    H    VAL  16           H        VAL  16   7.299 -10.049  -0.659
  114    HA   VAL  16           HA       VAL  16   7.480 -12.861  -0.925
  115    HB   VAL  16           HB       VAL  16   5.849 -13.030   0.977
  116   1HG1  VAL  16          1HG1      VAL  16   7.359 -11.717   2.563
  117   2HG1  VAL  16          2HG1      VAL  16   8.245 -11.211   1.125
  118   3HG1  VAL  16          3HG1      VAL  16   8.134 -12.924   1.535
  119   1HG2  VAL  16          1HG2      VAL  16   4.886 -11.129   1.962
  120   2HG2  VAL  16          2HG2      VAL  16   4.668 -10.849   0.238
  121   3HG2  VAL  16          3HG2      VAL  16   5.954 -10.018   1.113
  122    H    ILE  17           H        ILE  17   5.030 -10.727  -2.197
  123    HA   ILE  17           HA       ILE  17   2.969 -12.762  -2.419
  124    HB   ILE  17           HB       ILE  17   3.301 -10.410  -4.300
  125   1HG1  ILE  17          2HG1      ILE  17   2.161 -10.474  -1.498
  126   2HG1  ILE  17          1HG1      ILE  17   3.576  -9.590  -2.050
  127   1HG2  ILE  17          1HG2      ILE  17   0.843 -11.757  -3.150
  128   2HG2  ILE  17          2HG2      ILE  17   1.534 -12.160  -4.720
  129   3HG2  ILE  17          3HG2      ILE  17   0.881 -10.549  -4.430
  130   1HD1  ILE  17          1HD1      ILE  17   1.805  -7.988  -2.018
  131   2HD1  ILE  17          2HD1      ILE  17   0.694  -9.109  -2.804
  132   3HD1  ILE  17          3HD1      ILE  17   2.035  -8.417  -3.713
  133    H    GLU  18           H        GLU  18   4.704 -11.241  -5.142
  134    HA   GLU  18           HA       GLU  18   4.311 -13.248  -7.037
  135   1HB   GLU  18          2HB       GLU  18   7.045 -12.019  -6.978
  136   2HB   GLU  18          1HB       GLU  18   5.890 -12.130  -8.310
  137   1HG   GLU  18          2HG       GLU  18   4.461 -10.469  -6.904
  138   2HG   GLU  18          1HG       GLU  18   5.951 -10.161  -6.028
  139    H    LYS  19           H        LYS  19   6.485 -13.217  -4.315
  140    HA   LYS  19           HA       LYS  19   7.660 -15.831  -5.171
  141   1HB   LYS  19          2HB       LYS  19   8.640 -13.531  -3.625
  142   2HB   LYS  19          1HB       LYS  19   8.923 -15.046  -2.777
  143   1HG   LYS  19          2HG       LYS  19  10.839 -14.612  -4.169
  144   2HG   LYS  19          1HG       LYS  19   9.946 -15.947  -4.878
  145   1HD   LYS  19          2HD       LYS  19   9.889 -14.788  -6.841
  146   2HD   LYS  19          1HD       LYS  19   8.809 -13.635  -6.063
  147   1HE   LYS  19          2HE       LYS  19  10.732 -12.465  -7.023
  148   2HE   LYS  19          1HE       LYS  19  10.793 -12.361  -5.263
  149   1HZ   LYS  19          1HZ       LYS  19  12.430 -14.005  -7.082
  150   2HZ   LYS  19          2HZ       LYS  19  12.210 -14.483  -5.466
  151   3HZ   LYS  19          3HZ       LYS  19  12.931 -12.986  -5.821
  152    H    ALA  20           H        ALA  20   5.021 -14.802  -3.478
  153    HA   ALA  20           HA       ALA  20   5.113 -16.254  -1.036
  154   1HB   ALA  20          1HB       ALA  20   3.177 -14.913  -1.254
  155   2HB   ALA  20          2HB       ALA  20   2.530 -16.530  -1.519
  156   3HB   ALA  20          3HB       ALA  20   2.854 -15.482  -2.888
  157    H    ASP  21           H        ASP  21   4.190 -17.202  -4.297
  158    HA   ASP  21           HA       ASP  21   4.151 -19.279  -5.341
  159   1HB   ASP  21          2HB       ASP  21   6.289 -19.410  -3.514
  160   2HB   ASP  21          1HB       ASP  21   5.385 -20.884  -3.208
  161    H    ASN  22           H        ASN  22   2.743 -18.759  -2.239
  162    HA   ASN  22           HA       ASN  22   0.696 -20.775  -2.916
  163   1HB   ASN  22          2HB       ASN  22   1.567 -20.848  -0.046
  164   2HB   ASN  22          1HB       ASN  22   0.836 -22.112  -1.037
  165   1HD2  ASN  22          1HD2      ASN  22   3.764 -20.086  -1.211
  166   2HD2  ASN  22          2HD2      ASN  22   4.808 -21.363  -1.576
  167    H    ALA  23           H        ALA  23  -1.322 -20.252  -2.148
  168    HA   ALA  23           HA       ALA  23  -1.967 -17.563  -1.617
  169   1HB   ALA  23          1HB       ALA  23  -4.188 -18.333  -1.151
  170   2HB   ALA  23          2HB       ALA  23  -3.601 -19.942  -0.728
  171   3HB   ALA  23          3HB       ALA  23  -3.522 -19.386  -2.400
  172    H    ALA  24           H        ALA  24  -0.843 -19.976   0.628
  173    HA   ALA  24           HA       ALA  24  -1.991 -18.844   3.005
  174   1HB   ALA  24          1HB       ALA  24   0.481 -20.514   2.513
  175   2HB   ALA  24          2HB       ALA  24  -1.060 -21.028   3.199
  176   3HB   ALA  24          3HB       ALA  24   0.014 -19.984   4.129
  177    H    GLN  25           H        GLN  25   1.255 -18.410   1.564
  178    HA   GLN  25           HA       GLN  25   2.025 -16.357   3.416
  179   1HB   GLN  25          2HB       GLN  25   3.218 -16.606   0.668
  180   2HB   GLN  25          1HB       GLN  25   4.005 -16.245   2.194
  181   1HG   GLN  25          2HG       GLN  25   3.279 -18.653   2.885
  182   2HG   GLN  25          1HG       GLN  25   3.043 -18.907   1.153
  183   1HE2  GLN  25          1HE2      GLN  25   5.053 -18.096  -0.209
  184   2HE2  GLN  25          2HE2      GLN  25   6.575 -18.512   0.415
  185    H    VAL  26           H        VAL  26   0.047 -16.317   0.585
  186    HA   VAL  26           HA       VAL  26   0.529 -13.556  -0.160
  187    HB   VAL  26           HB       VAL  26  -1.964 -15.218  -0.652
  188   1HG1  VAL  26          1HG1      VAL  26  -2.024 -12.613  -0.940
  189   2HG1  VAL  26          2HG1      VAL  26  -2.596 -13.612  -2.267
  190   3HG1  VAL  26          3HG1      VAL  26  -0.991 -12.901  -2.332
  191   1HG2  VAL  26          1HG2      VAL  26  -0.005 -16.292  -1.636
  192   2HG2  VAL  26          2HG2      VAL  26   0.529 -14.772  -2.328
  193   3HG2  VAL  26          3HG2      VAL  26  -0.939 -15.546  -2.920
  194    H    LYS  27           H        LYS  27  -2.052 -15.142   1.820
  195    HA   LYS  27           HA       LYS  27  -3.395 -12.738   2.509
  196   1HB   LYS  27          2HB       LYS  27  -2.829 -15.128   4.284
  197   2HB   LYS  27          1HB       LYS  27  -4.015 -13.884   4.630
  198   1HG   LYS  27          2HG       LYS  27  -5.581 -14.934   3.354
  199   2HG   LYS  27          1HG       LYS  27  -4.508 -14.980   1.970
  200   1HD   LYS  27          2HD       LYS  27  -5.068 -17.268   2.572
  201   2HD   LYS  27          1HD       LYS  27  -3.377 -16.977   2.959
  202   1HE   LYS  27          2HE       LYS  27  -3.739 -17.020   5.240
  203   2HE   LYS  27          1HE       LYS  27  -5.406 -16.461   5.105
  204   1HZ   LYS  27          1HZ       LYS  27  -5.295 -18.792   5.726
  205   2HZ   LYS  27          2HZ       LYS  27  -4.417 -19.149   4.316
  206   3HZ   LYS  27          3HZ       LYS  27  -6.025 -18.609   4.206
  207    H    ASP  28           H        ASP  28  -0.885 -14.531   4.192
  208    HA   ASP  28           HA       ASP  28  -0.271 -12.774   6.262
  209   1HB   ASP  28          2HB       ASP  28   1.761 -14.340   4.641
  210   2HB   ASP  28          1HB       ASP  28   1.895 -13.870   6.337
  211    H    ALA  29           H        ALA  29   0.794 -12.689   2.882
  212    HA   ALA  29           HA       ALA  29   2.676 -10.547   3.245
  213   1HB   ALA  29          1HB       ALA  29   2.821 -11.961   1.275
  214   2HB   ALA  29          2HB       ALA  29   2.490 -10.305   0.769
  215   3HB   ALA  29          3HB       ALA  29   1.193 -11.496   0.780
  216    H    LEU  30           H        LEU  30  -0.406 -10.425   1.433
  217    HA   LEU  30           HA       LEU  30  -0.604  -7.590   1.513
  218   1HB   LEU  30          2HB       LEU  30  -2.811  -9.653   1.262
  219   2HB   LEU  30          1HB       LEU  30  -2.987  -7.938   0.911
  220    HG   LEU  30           HG       LEU  30  -1.015  -9.774  -0.477
  221   1HD1  LEU  30          1HD1      LEU  30  -3.170 -10.474  -1.183
  222   2HD1  LEU  30          2HD1      LEU  30  -2.633  -9.358  -2.435
  223   3HD1  LEU  30          3HD1      LEU  30  -3.792  -8.824  -1.216
  224   1HD2  LEU  30          1HD2      LEU  30  -1.707  -6.846  -0.702
  225   2HD2  LEU  30          2HD2      LEU  30  -1.186  -7.718  -2.143
  226   3HD2  LEU  30          3HD2      LEU  30  -0.125  -7.623  -0.744
  227    H    THR  31           H        THR  31  -1.291  -9.967   3.932
  228    HA   THR  31           HA       THR  31  -3.208  -8.528   5.501
  229    HB   THR  31           HB       THR  31  -1.051 -10.534   6.218
  230    HG1  THR  31           1HG      THR  31  -2.581 -11.855   5.690
  231   1HG2  THR  31          1HG2      THR  31  -1.306  -9.400   8.263
  232   2HG2  THR  31          2HG2      THR  31  -2.468 -10.719   8.393
  233   3HG2  THR  31          3HG2      THR  31  -3.022  -9.093   7.992
  234    H    LYS  32           H        LYS  32   0.333  -8.610   5.546
  235    HA   LYS  32           HA       LYS  32   0.568  -6.651   7.655
  236   1HB   LYS  32          2HB       LYS  32   2.403  -8.033   5.730
  237   2HB   LYS  32          1HB       LYS  32   3.018  -6.611   6.582
  238   1HG   LYS  32          2HG       LYS  32   2.209  -7.771   8.741
  239   2HG   LYS  32          1HG       LYS  32   2.025  -9.220   7.755
  240   1HD   LYS  32          2HD       LYS  32   4.592  -7.628   7.997
  241   2HD   LYS  32          1HD       LYS  32   4.236  -9.087   8.920
  242   1HE   LYS  32          2HE       LYS  32   3.836 -10.233   6.659
  243   2HE   LYS  32          1HE       LYS  32   4.599  -8.818   5.933
  244   1HZ   LYS  32          1HZ       LYS  32   5.908 -10.987   6.884
  245   2HZ   LYS  32          2HZ       LYS  32   6.055  -9.884   8.167
  246   3HZ   LYS  32          3HZ       LYS  32   6.605  -9.465   6.615
  247    H    MET  33           H        MET  33   0.265  -6.467   4.158
  248    HA   MET  33           HA       MET  33   1.251  -3.774   3.831
  249   1HB   MET  33          2HB       MET  33  -0.812  -5.414   2.342
  250   2HB   MET  33          1HB       MET  33  -0.422  -3.767   1.860
  251   1HG   MET  33          2HG       MET  33   2.062  -4.654   1.883
  252   2HG   MET  33          1HG       MET  33   1.283  -6.228   1.712
  253   1HE   MET  33          1HE       MET  33   1.381  -2.706   0.822
  254   2HE   MET  33          2HE       MET  33   0.689  -2.515  -0.781
  255   3HE   MET  33          3HE       MET  33   2.380  -2.972  -0.612
  256    H    ARG  34           H        ARG  34  -2.084  -4.903   3.753
  257    HA   ARG  34           HA       ARG  34  -3.404  -2.485   4.182
  258   1HB   ARG  34          2HB       ARG  34  -4.409  -4.816   3.768
  259   2HB   ARG  34          1HB       ARG  34  -4.265  -5.082   5.500
  260   1HG   ARG  34          2HG       ARG  34  -6.009  -3.656   6.014
  261   2HG   ARG  34          1HG       ARG  34  -5.624  -2.535   4.717
  262   1HD   ARG  34          2HD       ARG  34  -6.532  -4.252   3.085
  263   2HD   ARG  34          1HD       ARG  34  -7.102  -5.172   4.471
  264    HE   ARG  34           HE       ARG  34  -8.275  -2.725   3.430
  265   1HH1  ARG  34          1HH2      ARG  34  -7.749  -4.755   6.167
  266   2HH1  ARG  34          2HH2      ARG  34  -9.160  -4.214   7.013
  267   1HH2  ARG  34          1HH1      ARG  34 -10.134  -2.002   4.527
  268   2HH2  ARG  34          2HH1      ARG  34 -10.510  -2.661   6.083
  269    H    ALA  35           H        ALA  35  -1.570  -4.423   6.393
  270    HA   ALA  35           HA       ALA  35  -2.526  -3.096   8.812
  271   1HB   ALA  35          1HB       ALA  35   0.120  -4.529   8.556
  272   2HB   ALA  35          2HB       ALA  35  -1.398  -5.420   8.632
  273   3HB   ALA  35          3HB       ALA  35  -0.919  -4.383   9.973
  274    H    ALA  36           H        ALA  36   0.630  -2.994   7.067
  275    HA   ALA  36           HA       ALA  36   1.591  -0.729   8.535
  276   1HB   ALA  36          1HB       ALA  36   3.195  -2.043   7.339
  277   2HB   ALA  36          2HB       ALA  36   3.159  -0.474   6.533
  278   3HB   ALA  36          3HB       ALA  36   2.318  -1.852   5.820
  279    H    ALA  37           H        ALA  37  -0.213  -0.944   5.472
  280    HA   ALA  37           HA       ALA  37  -0.033   1.780   4.731
  281   1HB   ALA  37          1HB       ALA  37  -2.038   1.419   3.429
  282   2HB   ALA  37          2HB       ALA  37  -2.498   0.041   4.429
  283   3HB   ALA  37          3HB       ALA  37  -1.091  -0.068   3.371
  284    H    LEU  38           H        LEU  38  -2.198   0.162   7.034
  285    HA   LEU  38           HA       LEU  38  -3.806   2.478   7.596
  286   1HB   LEU  38          2HB       LEU  38  -3.184  -0.026   9.177
  287   2HB   LEU  38          1HB       LEU  38  -4.261   1.221   9.794
  288    HG   LEU  38           HG       LEU  38  -4.712   0.044   7.044
  289   1HD1  LEU  38          1HD1      LEU  38  -5.925  -1.056   9.594
  290   2HD1  LEU  38          2HD1      LEU  38  -4.569  -1.818   8.766
  291   3HD1  LEU  38          3HD1      LEU  38  -6.128  -1.676   7.957
  292   1HD2  LEU  38          1HD2      LEU  38  -6.066   1.981   7.520
  293   2HD2  LEU  38          2HD2      LEU  38  -6.456   1.391   9.135
  294   3HD2  LEU  38          3HD2      LEU  38  -7.113   0.580   7.717
  295    H    ASP  39           H        ASP  39  -0.719   1.293   8.851
  296    HA   ASP  39           HA       ASP  39  -0.642   3.398  10.921
  297   1HB   ASP  39          2HB       ASP  39   0.356   1.097  11.240
  298   2HB   ASP  39          1HB       ASP  39   1.576   1.529  10.042
  299    H    ALA  40           H        ALA  40   0.971   2.643   7.843
  300    HA   ALA  40           HA       ALA  40   2.806   4.811   7.844
  301   1HB   ALA  40          1HB       ALA  40   3.224   4.269   5.618
  302   2HB   ALA  40          2HB       ALA  40   1.525   3.958   5.260
  303   3HB   ALA  40          3HB       ALA  40   2.466   2.775   6.164
  304    H    GLN  41           H        GLN  41  -0.603   4.858   7.621
  305    HA   GLN  41           HA       GLN  41  -1.203   6.987   5.937
  306   1HB   GLN  41          2HB       GLN  41  -2.942   5.787   7.136
  307   2HB   GLN  41          1HB       GLN  41  -2.333   6.368   8.683
  308   1HG   GLN  41          2HG       GLN  41  -3.107   8.371   6.575
  309   2HG   GLN  41          1HG       GLN  41  -4.374   7.593   7.520
  310   1HE2  GLN  41          1HE2      GLN  41  -2.099  10.151   7.534
  311   2HE2  GLN  41          2HE2      GLN  41  -2.222  10.560   9.175
  312    H    LYS  42           H        LYS  42  -0.241   7.242   9.369
  313    HA   LYS  42           HA       LYS  42  -0.081  10.128   9.293
  314   1HB   LYS  42          2HB       LYS  42   1.085   8.112  11.235
  315   2HB   LYS  42          1HB       LYS  42   1.180   9.857  11.449
  316   1HG   LYS  42          2HG       LYS  42  -0.750   9.497  12.664
  317   2HG   LYS  42          1HG       LYS  42  -1.483   9.667  11.079
  318   1HD   LYS  42          2HD       LYS  42  -2.459   7.680  11.810
  319   2HD   LYS  42          1HD       LYS  42  -1.071   7.063  10.921
  320   1HE   LYS  42          2HE       LYS  42   0.200   7.125  13.148
  321   2HE   LYS  42          1HE       LYS  42  -1.367   7.379  13.912
  322   1HZ   LYS  42          1HZ       LYS  42  -2.133   5.339  12.753
  323   2HZ   LYS  42          2HZ       LYS  42  -0.917   5.062  13.907
  324   3HZ   LYS  42          3HZ       LYS  42  -0.536   5.067  12.251
  325    H    ALA  43           H        ALA  43   1.633   8.233   7.432
  326    HA   ALA  43           HA       ALA  43   4.360   9.041   8.112
  327   1HB   ALA  43          1HB       ALA  43   3.291   7.908   5.506
  328   2HB   ALA  43          2HB       ALA  43   3.877   6.937   6.858
  329   3HB   ALA  43          3HB       ALA  43   4.984   7.997   5.989
  330    H    THR  44           H        THR  44   5.616  10.594   6.912
  331    HA   THR  44           HA       THR  44   4.212  12.299   4.955
  332    HB   THR  44           HB       THR  44   5.113  14.310   6.524
  333    HG1  THR  44           1HG      THR  44   4.893  12.048   8.113
  334   1HG2  THR  44          1HG2      THR  44   2.859  14.604   7.343
  335   2HG2  THR  44          2HG2      THR  44   2.499  12.897   7.104
  336   3HG2  THR  44          3HG2      THR  44   2.764  13.947   5.710
  337    HA   PRO  45           HA       PRO  45   8.779  11.400   4.284
  338   1HB   PRO  45          2HB       PRO  45   7.736  11.475   1.486
  339   2HB   PRO  45          1HB       PRO  45   8.858  10.336   2.243
  340   1HG   PRO  45          2HG       PRO  45   6.269   9.721   1.738
  341   2HG   PRO  45          1HG       PRO  45   7.183   9.027   3.085
  342   1HD   PRO  45          2HD       PRO  45   5.002  11.040   3.161
  343   2HD   PRO  45          1HD       PRO  45   5.561   9.940   4.430
  344    HA   PRO  46           HA       PRO  46   8.885  15.511   1.964
  345   1HB   PRO  46          2HB       PRO  46   6.701  16.648   0.899
  346   2HB   PRO  46          1HB       PRO  46   7.433  15.211   0.162
  347   1HG   PRO  46          2HG       PRO  46   4.932  15.455   1.732
  348   2HG   PRO  46          1HG       PRO  46   5.367  14.286   0.479
  349   1HD   PRO  46          2HD       PRO  46   5.524  13.936   3.337
  350   2HD   PRO  46          1HD       PRO  46   5.976  12.773   2.084
  351    H    LYS  47           H        LYS  47   6.429  15.167   4.346
  352    HA   LYS  47           HA       LYS  47   5.887  16.465   6.212
  353   1HB   LYS  47          2HB       LYS  47   7.937  18.499   5.295
  354   2HB   LYS  47          1HB       LYS  47   7.266  18.290   6.900
  355   1HG   LYS  47          2HG       LYS  47   8.391  16.210   7.224
  356   2HG   LYS  47          1HG       LYS  47   8.853  16.115   5.526
  357   1HD   LYS  47          2HD       LYS  47  10.306  18.063   5.770
  358   2HD   LYS  47          1HD       LYS  47   9.783  18.274   7.440
  359   1HE   LYS  47          2HE       LYS  47  11.049  15.699   6.497
  360   2HE   LYS  47          1HE       LYS  47  12.023  17.056   7.064
  361   1HZ   LYS  47          1HZ       LYS  47  10.561  17.023   9.099
  362   2HZ   LYS  47          2HZ       LYS  47  11.641  15.721   8.933
  363   3HZ   LYS  47          3HZ       LYS  47   9.995  15.515   8.568
  364    H    LEU  48           H        LEU  48   3.815  17.074   5.708
  365    HA   LEU  48           HA       LEU  48   3.363  19.181   3.703
  366   1HB   LEU  48          2HB       LEU  48   1.660  17.261   5.244
  367   2HB   LEU  48          1HB       LEU  48   0.890  18.776   4.793
  368    HG   LEU  48           HG       LEU  48   1.967  18.181   2.389
  369   1HD1  LEU  48          1HD1      LEU  48   2.111  15.859   1.940
  370   2HD1  LEU  48          2HD1      LEU  48   1.346  15.431   3.471
  371   3HD1  LEU  48          3HD1      LEU  48   2.988  16.073   3.456
  372   1HD2  LEU  48          1HD2      LEU  48  -0.586  17.152   3.627
  373   2HD2  LEU  48          2HD2      LEU  48  -0.218  16.912   1.918
  374   3HD2  LEU  48          3HD2      LEU  48  -0.360  18.545   2.567
  375    H    GLU  49           H        GLU  49   4.801  19.632   6.298
  376    HA   GLU  49           HA       GLU  49   3.054  21.784   7.441
  377   1HB   GLU  49          2HB       GLU  49   5.563  20.492   8.575
  378   2HB   GLU  49          1HB       GLU  49   4.605  21.746   9.367
  379   1HG   GLU  49          2HG       GLU  49   2.609  20.116   9.107
  380   2HG   GLU  49          1HG       GLU  49   3.830  18.886   8.778
  381    H    ASP  50           H        ASP  50   4.630  21.744   4.912
  382    HA   ASP  50           HA       ASP  50   6.154  24.252   5.376
  383   1HB   ASP  50          2HB       ASP  50   7.602  22.046   5.366
  384   2HB   ASP  50          1HB       ASP  50   7.346  22.106   3.625
  385    H    LYS  51           H        LYS  51   5.399  21.907   2.782
  386    HA   LYS  51           HA       LYS  51   5.138  23.944   0.780
  387   1HB   LYS  51          2HB       LYS  51   4.296  22.185  -0.631
  388   2HB   LYS  51          1HB       LYS  51   5.573  21.506   0.356
  389   1HG   LYS  51          2HG       LYS  51   3.921  20.547   1.894
  390   2HG   LYS  51          1HG       LYS  51   2.607  21.276   0.976
  391   1HD   LYS  51          2HD       LYS  51   2.621  19.126   0.077
  392   2HD   LYS  51          1HD       LYS  51   3.680  19.961  -1.055
  393   1HE   LYS  51          2HE       LYS  51   5.618  19.207   0.478
  394   2HE   LYS  51          1HE       LYS  51   4.445  18.114   1.210
  395   1HZ   LYS  51          1HZ       LYS  51   4.954  18.229  -1.706
  396   2HZ   LYS  51          2HZ       LYS  51   4.080  17.051  -0.850
  397   3HZ   LYS  51          3HZ       LYS  51   5.766  17.162  -0.666
  398    H    SER  52           H        SER  52   2.610  23.399  -0.415
  399    HA   SER  52           HA       SER  52   0.944  25.067   1.249
  400   1HB   SER  52          2HB       SER  52   1.013  24.953  -1.335
  401   2HB   SER  52          1HB       SER  52  -0.014  23.534  -1.168
  402    HG   SER  52           HG       SER  52  -1.625  24.800  -0.696
  403    HA   PRO  53           HA       PRO  53  -1.051  21.673   3.407
  404   1HB   PRO  53          2HB       PRO  53  -3.130  22.932   4.524
  405   2HB   PRO  53          1HB       PRO  53  -1.468  23.416   4.939
  406   1HG   PRO  53          2HG       PRO  53  -3.313  24.630   2.902
  407   2HG   PRO  53          1HG       PRO  53  -2.445  25.437   4.233
  408   1HD   PRO  53          2HD       PRO  53  -1.453  25.405   1.712
  409   2HD   PRO  53          1HD       PRO  53  -0.383  25.318   3.132
  410    H    ASP  54           H        ASP  54  -2.582  23.358   0.826
  411    HA   ASP  54           HA       ASP  54  -4.144  22.618  -0.740
  412   1HB   ASP  54          2HB       ASP  54  -3.168  20.273   0.013
  413   2HB   ASP  54          1HB       ASP  54  -4.713  20.111   0.839
  414    H    SER  55           H        SER  55  -6.557  20.953   0.296
  415    HA   SER  55           HA       SER  55  -7.673  22.678   2.360
  416   1HB   SER  55          2HB       SER  55  -7.874  24.181   0.475
  417   2HB   SER  55          1HB       SER  55  -8.656  22.930  -0.489
  418    HG   SER  55           HG       SER  55 -10.097  24.460   0.564
  419    HA   PRO  56           HA       PRO  56 -10.876  19.236   0.764
  420   1HB   PRO  56          2HB       PRO  56  -8.732  17.161   0.455
  421   2HB   PRO  56          1HB       PRO  56 -10.268  17.327  -0.422
  422   1HG   PRO  56          2HG       PRO  56  -8.030  18.031  -1.597
  423   2HG   PRO  56          1HG       PRO  56  -9.448  19.093  -1.730
  424   1HD   PRO  56          2HD       PRO  56  -7.043  19.385   0.062
  425   2HD   PRO  56          1HD       PRO  56  -7.875  20.631  -0.906
  426    H    GLU  57           H        GLU  57  -9.700  20.103   3.297
  427    HA   GLU  57           HA       GLU  57  -9.435  19.363   5.522
  428   1HB   GLU  57          2HB       GLU  57 -11.861  18.655   4.843
  429   2HB   GLU  57          1HB       GLU  57 -11.197  17.025   4.747
  430   1HG   GLU  57          2HG       GLU  57 -12.009  17.203   6.968
  431   2HG   GLU  57          1HG       GLU  57 -10.270  17.453   7.115
  432    H    MET  58           H        MET  58  -7.743  18.371   3.297
  433    HA   MET  58           HA       MET  58  -5.973  16.934   2.968
  434   1HB   MET  58          2HB       MET  58  -6.518  16.037   5.812
  435   2HB   MET  58          1HB       MET  58  -5.062  15.776   4.877
  436   1HG   MET  58          2HG       MET  58  -4.260  17.852   5.314
  437   2HG   MET  58          1HG       MET  58  -5.806  18.627   4.970
  438   1HE   MET  58          1HE       MET  58  -3.837  16.409   7.266
  439   2HE   MET  58          2HE       MET  58  -4.140  17.013   8.893
  440   3HE   MET  58          3HE       MET  58  -3.241  18.005   7.747
  441    H    LYS  59           H        LYS  59  -9.108  16.037   3.518
  442    HA   LYS  59           HA       LYS  59  -9.262  13.271   3.665
  443   1HB   LYS  59          2HB       LYS  59 -11.162  14.937   3.385
  444   2HB   LYS  59          1HB       LYS  59 -10.772  14.980   1.661
  445   1HG   LYS  59          2HG       LYS  59 -11.127  12.231   2.782
  446   2HG   LYS  59          1HG       LYS  59 -12.582  13.221   2.811
  447   1HD   LYS  59          2HD       LYS  59 -12.553  13.533   0.456
  448   2HD   LYS  59          1HD       LYS  59 -10.893  12.954   0.319
  449   1HE   LYS  59          2HE       LYS  59 -12.456  11.212  -0.424
  450   2HE   LYS  59          1HE       LYS  59 -11.637  10.700   1.051
  451   1HZ   LYS  59          1HZ       LYS  59 -14.287  12.029   1.041
  452   2HZ   LYS  59          2HZ       LYS  59 -13.525  11.244   2.341
  453   3HZ   LYS  59          3HZ       LYS  59 -14.096  10.344   1.018
  454    H    ASP  60           H        ASP  60  -8.769  15.233   0.751
  455    HA   ASP  60           HA       ASP  60  -8.493  13.144  -1.108
  456   1HB   ASP  60          2HB       ASP  60  -8.645  15.378  -1.902
  457   2HB   ASP  60          1HB       ASP  60  -7.273  15.909  -0.931
  458    H    PHE  61           H        PHE  61  -6.336  14.219   1.417
  459    HA   PHE  61           HA       PHE  61  -3.995  12.834   0.351
  460   1HB   PHE  61          2HB       PHE  61  -4.224  14.849   2.112
  461   2HB   PHE  61          1HB       PHE  61  -4.299  13.527   3.269
  462    HD1  PHE  61           1HD      PHE  61  -2.257  12.939   4.226
  463    HD2  PHE  61           2HD      PHE  61  -2.303  14.411   0.191
  464    HE1  PHE  61           1HE      PHE  61   0.208  12.707   4.114
  465    HE2  PHE  61           2HE      PHE  61   0.163  14.183   0.084
  466    HZ   PHE  61           HZ       PHE  61   1.418  13.332   2.046
  467    H    ARG  62           H        ARG  62  -6.242  12.347   3.062
  468    HA   ARG  62           HA       ARG  62  -5.411   9.700   3.746
  469   1HB   ARG  62          2HB       ARG  62  -8.099  11.062   4.074
  470   2HB   ARG  62          1HB       ARG  62  -7.619   9.590   4.899
  471   1HG   ARG  62          2HG       ARG  62  -6.577  10.792   6.528
  472   2HG   ARG  62          1HG       ARG  62  -5.540  11.560   5.331
  473   1HD   ARG  62          2HD       ARG  62  -7.129  13.320   4.968
  474   2HD   ARG  62          1HD       ARG  62  -8.361  12.483   5.890
  475    HE   ARG  62           HE       ARG  62  -6.135  14.026   7.011
  476   1HH1  ARG  62          1HH2      ARG  62  -8.558  11.609   7.446
  477   2HH1  ARG  62          2HH2      ARG  62  -8.595  11.767   9.170
  478   1HH2  ARG  62          1HH1      ARG  62  -6.171  14.244   9.264
  479   2HH2  ARG  62          2HH1      ARG  62  -7.244  13.256  10.199
  480    H    HIS  63           H        HIS  63  -7.640  10.949   1.322
  481    HA   HIS  63           HA       HIS  63  -9.019   8.518   0.705
  482   1HB   HIS  63          2HB       HIS  63  -9.221  11.068  -0.211
  483   2HB   HIS  63          1HB       HIS  63  -8.307  10.382  -1.546
  484    HD1  HIS  63           1HD      HIS  63 -10.876   8.471   0.449
  485    HD2  HIS  63           2HD      HIS  63 -10.493  10.175  -3.334
  486    HE1  HIS  63           1HE      HIS  63 -12.853   7.675  -0.890
  487    H    GLY  64           H        GLY  64  -5.908   9.822  -0.443
  488   1HA   GLY  64          2HA       GLY  64  -5.466   7.701  -2.319
  489   2HA   GLY  64          1HA       GLY  64  -4.202   8.705  -1.604
  490    H    PHE  65           H        PHE  65  -4.987   8.001   1.162
  491    HA   PHE  65           HA       PHE  65  -3.522   5.453   1.329
  492   1HB   PHE  65          2HB       PHE  65  -4.529   7.500   3.293
  493   2HB   PHE  65          1HB       PHE  65  -4.187   5.875   3.887
  494    HD1  PHE  65           1HD      PHE  65  -2.767   9.022   2.810
  495    HD2  PHE  65           2HD      PHE  65  -1.895   4.870   3.472
  496    HE1  PHE  65           1HE      PHE  65  -0.340   9.531   2.853
  497    HE2  PHE  65           2HE      PHE  65   0.531   5.384   3.510
  498    HZ   PHE  65           HZ       PHE  65   1.305   7.719   3.195
  499    H    ASP  66           H        ASP  66  -6.816   6.654   1.957
  500    HA   ASP  66           HA       ASP  66  -7.818   4.078   2.834
  501   1HB   ASP  66          2HB       ASP  66  -8.960   6.226   3.381
  502   2HB   ASP  66          1HB       ASP  66  -9.345   6.430   1.671
  503    H    ILE  67           H        ILE  67  -7.921   5.883  -0.246
  504    HA   ILE  67           HA       ILE  67  -9.373   3.988  -1.759
  505    HB   ILE  67           HB       ILE  67  -7.117   5.848  -2.594
  506   1HG1  ILE  67          2HG1      ILE  67  -9.449   6.693  -1.686
  507   2HG1  ILE  67          1HG1      ILE  67  -8.775   7.413  -3.141
  508   1HG2  ILE  67          1HG2      ILE  67  -7.151   4.199  -4.287
  509   2HG2  ILE  67          2HG2      ILE  67  -8.169   5.494  -4.918
  510   3HG2  ILE  67          3HG2      ILE  67  -8.908   4.049  -4.230
  511   1HD1  ILE  67          1HD1      ILE  67 -10.577   5.030  -3.435
  512   2HD1  ILE  67          2HD1      ILE  67 -10.317   6.380  -4.536
  513   3HD1  ILE  67          3HD1      ILE  67 -11.294   6.602  -3.086
  514    H    LEU  68           H        LEU  68  -5.893   4.233  -1.123
  515    HA   LEU  68           HA       LEU  68  -5.001   2.041  -2.679
  516   1HB   LEU  68          2HB       LEU  68  -3.324   3.455  -1.836
  517   2HB   LEU  68          1HB       LEU  68  -3.995   3.446  -0.213
  518    HG   LEU  68           HG       LEU  68  -3.209   1.181   0.169
  519   1HD1  LEU  68          1HD1      LEU  68  -1.608   0.336  -1.848
  520   2HD1  LEU  68          2HD1      LEU  68  -2.808   1.212  -2.792
  521   3HD1  LEU  68          3HD1      LEU  68  -3.308  -0.107  -1.735
  522   1HD2  LEU  68          1HD2      LEU  68  -1.563   2.860   0.636
  523   2HD2  LEU  68          2HD2      LEU  68  -1.162   3.037  -1.073
  524   3HD2  LEU  68          3HD2      LEU  68  -0.720   1.563  -0.211
  525    H    VAL  69           H        VAL  69  -5.843   2.095   0.794
  526    HA   VAL  69           HA       VAL  69  -5.508  -0.667   1.259
  527    HB   VAL  69           HB       VAL  69  -7.228   1.432   2.583
  528   1HG1  VAL  69          1HG1      VAL  69  -6.928  -1.490   3.163
  529   2HG1  VAL  69          2HG1      VAL  69  -8.366  -0.482   3.247
  530   3HG1  VAL  69          3HG1      VAL  69  -7.139  -0.369   4.507
  531   1HG2  VAL  69          1HG2      VAL  69  -4.841   1.798   2.836
  532   2HG2  VAL  69          2HG2      VAL  69  -4.585   0.108   3.268
  533   3HG2  VAL  69          3HG2      VAL  69  -5.460   1.175   4.364
  534    H    GLY  70           H        GLY  70  -7.981   0.966  -0.506
  535   1HA   GLY  70          2HA       GLY  70 -10.056  -1.008   0.028
  536   2HA   GLY  70          1HA       GLY  70 -10.116   0.237  -1.212
  537    H    GLN  71           H        GLN  71  -7.791  -0.419  -2.693
  538    HA   GLN  71           HA       GLN  71  -8.824  -2.700  -4.163
  539   1HB   GLN  71          2HB       GLN  71  -7.324  -2.120  -5.827
  540   2HB   GLN  71          1HB       GLN  71  -7.376  -0.593  -4.960
  541   1HG   GLN  71          2HG       GLN  71  -5.084  -0.907  -5.149
  542   2HG   GLN  71          1HG       GLN  71  -5.370  -1.646  -3.586
  543   1HE2  GLN  71          1HE2      GLN  71  -6.768  -3.992  -5.005
  544   2HE2  GLN  71          2HE2      GLN  71  -5.488  -4.925  -5.610
  545    H    ILE  72           H        ILE  72  -6.412  -2.178  -1.713
  546    HA   ILE  72           HA       ILE  72  -5.299  -4.866  -1.940
  547    HB   ILE  72           HB       ILE  72  -5.074  -2.644   0.115
  548   1HG1  ILE  72          2HG1      ILE  72  -3.114  -4.048  -1.719
  549   2HG1  ILE  72          1HG1      ILE  72  -3.824  -2.465  -2.011
  550   1HG2  ILE  72          1HG2      ILE  72  -3.373  -4.133   1.258
  551   2HG2  ILE  72          2HG2      ILE  72  -3.922  -5.462   0.243
  552   3HG2  ILE  72          3HG2      ILE  72  -5.019  -4.728   1.406
  553   1HD1  ILE  72          1HD1      ILE  72  -1.790  -1.858  -1.063
  554   2HD1  ILE  72          2HD1      ILE  72  -1.742  -3.268  -0.008
  555   3HD1  ILE  72          3HD1      ILE  72  -2.808  -1.916   0.375
  556    H    ASP  73           H        ASP  73  -7.939  -3.266  -0.265
  557    HA   ASP  73           HA       ASP  73  -8.455  -5.268   1.706
  558   1HB   ASP  73          2HB       ASP  73  -9.589  -3.110   1.770
  559   2HB   ASP  73          1HB       ASP  73 -10.399  -3.457   0.239
  560    H    ASP  74           H        ASP  74  -9.874  -4.878  -1.570
  561    HA   ASP  74           HA       ASP  74 -11.273  -7.392  -1.476
  562   1HB   ASP  74          2HB       ASP  74 -11.960  -6.913  -3.646
  563   2HB   ASP  74          1HB       ASP  74 -11.516  -5.298  -3.105
  564    H    ALA  75           H        ALA  75  -7.989  -6.497  -2.456
  565    HA   ALA  75           HA       ALA  75  -7.442  -9.040  -3.699
  566   1HB   ALA  75          1HB       ALA  75  -5.177  -8.324  -3.820
  567   2HB   ALA  75          2HB       ALA  75  -5.344  -7.280  -2.408
  568   3HB   ALA  75          3HB       ALA  75  -6.100  -6.825  -3.935
  569    H    LEU  76           H        LEU  76  -7.476  -7.817  -0.431
  570    HA   LEU  76           HA       LEU  76  -5.908  -9.784   0.862
  571   1HB   LEU  76          2HB       LEU  76  -7.542  -7.626   1.602
  572   2HB   LEU  76          1HB       LEU  76  -8.420  -9.004   2.246
  573    HG   LEU  76           HG       LEU  76  -6.046  -9.709   3.163
  574   1HD1  LEU  76          1HD1      LEU  76  -4.475  -7.991   3.498
  575   2HD1  LEU  76          2HD1      LEU  76  -5.665  -6.719   3.220
  576   3HD1  LEU  76          3HD1      LEU  76  -5.061  -7.667   1.867
  577   1HD2  LEU  76          1HD2      LEU  76  -7.830  -9.242   4.692
  578   2HD2  LEU  76          2HD2      LEU  76  -7.817  -7.526   4.287
  579   3HD2  LEU  76          3HD2      LEU  76  -6.484  -8.225   5.206
  580    H    LYS  77           H        LYS  77  -9.135  -9.689  -0.444
  581    HA   LYS  77           HA       LYS  77 -10.088 -12.198   0.545
  582   1HB   LYS  77          2HB       LYS  77 -11.384 -10.184  -0.456
  583   2HB   LYS  77          1HB       LYS  77 -10.954 -10.867  -2.028
  584   1HG   LYS  77          2HG       LYS  77 -13.015 -11.889  -1.610
  585   2HG   LYS  77          1HG       LYS  77 -11.863 -13.094  -1.032
  586   1HD   LYS  77          2HD       LYS  77 -12.201 -11.582   1.251
  587   2HD   LYS  77          1HD       LYS  77 -13.788 -11.415   0.511
  588   1HE   LYS  77          2HE       LYS  77 -13.943 -13.895   0.345
  589   2HE   LYS  77          1HE       LYS  77 -12.372 -14.028   1.144
  590   1HZ   LYS  77          1HZ       LYS  77 -14.967 -13.399   2.257
  591   2HZ   LYS  77          2HZ       LYS  77 -13.707 -12.403   2.808
  592   3HZ   LYS  77          3HZ       LYS  77 -13.605 -14.087   2.997
  593    H    LEU  78           H        LEU  78  -8.743 -11.211  -2.617
  594    HA   LEU  78           HA       LEU  78  -8.938 -13.711  -3.893
  595   1HB   LEU  78          2HB       LEU  78  -7.219 -11.282  -4.216
  596   2HB   LEU  78          1HB       LEU  78  -6.671 -12.741  -5.044
  597    HG   LEU  78           HG       LEU  78  -8.825 -12.946  -6.186
  598   1HD1  LEU  78          1HD1      LEU  78 -10.407 -10.893  -5.924
  599   2HD1  LEU  78          2HD1      LEU  78  -9.551 -10.609  -4.409
  600   3HD1  LEU  78          3HD1      LEU  78 -10.430 -12.117  -4.657
  601   1HD2  LEU  78          1HD2      LEU  78  -8.017 -10.040  -6.442
  602   2HD2  LEU  78          2HD2      LEU  78  -8.527 -11.154  -7.711
  603   3HD2  LEU  78          3HD2      LEU  78  -6.937 -11.330  -6.968
  604    H    ALA  79           H        ALA  79  -6.491 -12.486  -1.668
  605    HA   ALA  79           HA       ALA  79  -4.653 -14.667  -1.924
  606   1HB   ALA  79          1HB       ALA  79  -4.331 -12.426  -0.691
  607   2HB   ALA  79          2HB       ALA  79  -3.685 -13.861   0.102
  608   3HB   ALA  79          3HB       ALA  79  -5.209 -13.164   0.644
  609    H    ASN  80           H        ASN  80  -7.313 -14.084   0.382
  610    HA   ASN  80           HA       ASN  80  -7.050 -16.690   1.591
  611   1HB   ASN  80          2HB       ASN  80  -8.168 -14.408   2.446
  612   2HB   ASN  80          1HB       ASN  80  -9.624 -15.181   1.826
  613   1HD2  ASN  80          1HD2      ASN  80  -6.713 -16.192   3.688
  614   2HD2  ASN  80          2HD2      ASN  80  -7.558 -17.138   4.783
  615    H    GLU  81           H        GLU  81  -8.483 -15.713  -1.358
  616    HA   GLU  81           HA       GLU  81 -10.458 -17.942  -1.317
  617   1HB   GLU  81          2HB       GLU  81  -9.893 -15.671  -3.212
  618   2HB   GLU  81          1HB       GLU  81 -10.900 -17.025  -3.708
  619   1HG   GLU  81          2HG       GLU  81 -11.415 -15.495  -1.152
  620   2HG   GLU  81          1HG       GLU  81 -12.115 -15.003  -2.694
  621    H    GLY  82           H        GLY  82  -7.215 -17.445  -2.151
  622   1HA   GLY  82          2HA       GLY  82  -5.797 -19.257  -2.871
  623   2HA   GLY  82          1HA       GLY  82  -7.187 -20.032  -3.620
  624    H    LYS  83           H        LYS  83  -7.036 -16.691  -4.318
  625    HA   LYS  83           HA       LYS  83  -6.138 -17.336  -7.085
  626   1HB   LYS  83          2HB       LYS  83  -7.072 -14.593  -6.311
  627   2HB   LYS  83          1HB       LYS  83  -7.272 -15.450  -7.831
  628   1HG   LYS  83          2HG       LYS  83  -8.775 -15.850  -5.253
  629   2HG   LYS  83          1HG       LYS  83  -9.412 -15.360  -6.812
  630   1HD   LYS  83          2HD       LYS  83  -8.395 -17.726  -7.568
  631   2HD   LYS  83          1HD       LYS  83  -8.632 -18.096  -5.862
  632   1HE   LYS  83          2HE       LYS  83 -10.673 -18.739  -6.828
  633   2HE   LYS  83          1HE       LYS  83 -11.022 -17.125  -6.206
  634   1HZ   LYS  83          1HZ       LYS  83 -10.137 -16.478  -8.594
  635   2HZ   LYS  83          2HZ       LYS  83 -11.766 -16.872  -8.313
  636   3HZ   LYS  83          3HZ       LYS  83 -10.710 -18.032  -8.962
  637    H    VAL  84           H        VAL  84  -3.953 -17.584  -6.493
  638    HA   VAL  84           HA       VAL  84  -2.426 -15.414  -5.305
  639    HB   VAL  84           HB       VAL  84  -1.463 -17.914  -6.736
  640   1HG1  VAL  84          1HG1      VAL  84   0.598 -17.405  -5.289
  641   2HG1  VAL  84          2HG1      VAL  84  -0.085 -15.792  -5.084
  642   3HG1  VAL  84          3HG1      VAL  84   0.344 -16.369  -6.694
  643   1HG2  VAL  84          1HG2      VAL  84  -2.680 -18.658  -4.858
  644   2HG2  VAL  84          2HG2      VAL  84  -2.176 -17.286  -3.878
  645   3HG2  VAL  84          3HG2      VAL  84  -1.023 -18.562  -4.262
  646    H    LYS  85           H        LYS  85  -2.465 -16.872  -8.588
  647    HA   LYS  85           HA       LYS  85  -0.744 -14.982  -9.784
  648   1HB   LYS  85          2HB       LYS  85  -3.155 -16.384 -10.995
  649   2HB   LYS  85          1HB       LYS  85  -1.943 -15.505 -11.920
  650   1HG   LYS  85          2HG       LYS  85  -0.945 -17.577 -12.075
  651   2HG   LYS  85          1HG       LYS  85  -0.286 -17.136 -10.508
  652   1HD   LYS  85          2HD       LYS  85  -1.184 -19.148  -9.850
  653   2HD   LYS  85          1HD       LYS  85  -2.679 -18.230  -9.721
  654   1HE   LYS  85          2HE       LYS  85  -3.202 -18.851 -12.094
  655   2HE   LYS  85          1HE       LYS  85  -1.756 -19.862 -12.103
  656   1HZ   LYS  85          1HZ       LYS  85  -3.144 -21.435 -11.366
  657   2HZ   LYS  85          2HZ       LYS  85  -4.323 -20.320 -10.862
  658   3HZ   LYS  85          3HZ       LYS  85  -2.994 -20.667  -9.860
  659    H    GLU  86           H        GLU  86  -4.229 -14.787  -9.123
  660    HA   GLU  86           HA       GLU  86  -4.585 -12.231 -10.415
  661   1HB   GLU  86          2HB       GLU  86  -6.173 -13.419  -8.106
  662   2HB   GLU  86          1HB       GLU  86  -6.670 -12.075  -9.137
  663   1HG   GLU  86          2HG       GLU  86  -6.431 -13.663 -11.121
  664   2HG   GLU  86          1HG       GLU  86  -6.317 -14.969  -9.942
  665    H    ALA  87           H        ALA  87  -3.844 -13.298  -7.109
  666    HA   ALA  87           HA       ALA  87  -3.804 -10.647  -5.994
  667   1HB   ALA  87          1HB       ALA  87  -2.269 -13.086  -5.058
  668   2HB   ALA  87          2HB       ALA  87  -3.949 -12.747  -4.640
  669   3HB   ALA  87          3HB       ALA  87  -2.668 -11.666  -4.091
  670    H    GLN  88           H        GLN  88  -1.178 -12.796  -7.064
  671    HA   GLN  88           HA       GLN  88   0.945 -10.954  -6.707
  672   1HB   GLN  88          2HB       GLN  88   2.046 -12.865  -7.250
  673   2HB   GLN  88          1HB       GLN  88   0.542 -13.613  -7.683
  674   1HG   GLN  88          2HG       GLN  88   0.754 -12.899  -9.976
  675   2HG   GLN  88          1HG       GLN  88   2.149 -11.912  -9.575
  676   1HE2  GLN  88          1HE2      GLN  88   1.276 -15.323  -8.783
  677   2HE2  GLN  88          2HE2      GLN  88   2.727 -15.974  -9.346
  678    H    ALA  89           H        ALA  89  -1.031 -11.686  -9.593
  679    HA   ALA  89           HA       ALA  89   0.179  -9.823 -11.349
  680   1HB   ALA  89          1HB       ALA  89  -2.768 -10.541 -11.193
  681   2HB   ALA  89          2HB       ALA  89  -1.549 -11.487 -12.045
  682   3HB   ALA  89          3HB       ALA  89  -1.939  -9.855 -12.590
  683    H    ALA  90           H        ALA  90  -2.178  -9.405  -8.759
  684    HA   ALA  90           HA       ALA  90  -2.812  -6.650  -9.359
  685   1HB   ALA  90          1HB       ALA  90  -4.007  -8.322  -7.728
  686   2HB   ALA  90          2HB       ALA  90  -3.916  -6.620  -7.274
  687   3HB   ALA  90          3HB       ALA  90  -2.802  -7.785  -6.557
  688    H    ALA  91           H        ALA  91  -0.206  -8.317  -7.778
  689    HA   ALA  91           HA       ALA  91   0.975  -6.261  -6.262
  690   1HB   ALA  91          1HB       ALA  91   1.746  -8.727  -6.586
  691   2HB   ALA  91          2HB       ALA  91   2.990  -7.499  -6.367
  692   3HB   ALA  91          3HB       ALA  91   2.637  -8.113  -7.980
  693    H    GLU  92           H        GLU  92   1.488  -7.038  -9.719
  694    HA   GLU  92           HA       GLU  92   3.134  -4.743 -10.224
  695   1HB   GLU  92          2HB       GLU  92   1.583  -6.684 -11.905
  696   2HB   GLU  92          1HB       GLU  92   2.094  -5.177 -12.667
  697   1HG   GLU  92          2HG       GLU  92   4.375  -5.644 -12.380
  698   2HG   GLU  92          1HG       GLU  92   4.082  -6.809 -11.089
  699    H    GLN  93           H        GLN  93  -0.309  -5.190  -9.852
  700    HA   GLN  93           HA       GLN  93  -1.016  -2.656 -11.108
  701   1HB   GLN  93          2HB       GLN  93  -2.578  -4.699 -10.689
  702   2HB   GLN  93          1HB       GLN  93  -2.667  -4.133  -9.028
  703   1HG   GLN  93          2HG       GLN  93  -3.188  -2.031 -11.085
  704   2HG   GLN  93          1HG       GLN  93  -4.379  -3.320 -11.020
  705   1HE2  GLN  93          1HE2      GLN  93  -2.539  -2.010  -8.222
  706   2HE2  GLN  93          2HE2      GLN  93  -3.902  -1.414  -7.409
  707    H    LEU  94           H        LEU  94  -0.230  -3.889  -7.908
  708    HA   LEU  94           HA       LEU  94  -0.825  -1.500  -6.436
  709   1HB   LEU  94          2HB       LEU  94   0.814  -3.954  -5.964
  710   2HB   LEU  94          1HB       LEU  94   1.197  -2.559  -4.971
  711    HG   LEU  94           HG       LEU  94  -1.412  -2.494  -4.530
  712   1HD1  LEU  94          1HD1      LEU  94  -1.950  -4.204  -6.229
  713   2HD1  LEU  94          2HD1      LEU  94  -2.448  -4.727  -4.619
  714   3HD1  LEU  94          3HD1      LEU  94  -0.985  -5.382  -5.346
  715   1HD2  LEU  94          1HD2      LEU  94  -0.098  -4.864  -3.222
  716   2HD2  LEU  94          2HD2      LEU  94  -1.054  -3.572  -2.509
  717   3HD2  LEU  94          3HD2      LEU  94   0.604  -3.268  -2.968
  718    H    LYS  95           H        LYS  95   2.158  -2.787  -7.853
  719    HA   LYS  95           HA       LYS  95   3.951  -0.735  -7.219
  720   1HB   LYS  95          2HB       LYS  95   3.708  -2.352  -9.782
  721   2HB   LYS  95          1HB       LYS  95   5.126  -1.401  -9.327
  722   1HG   LYS  95          2HG       LYS  95   4.773  -2.903  -7.043
  723   2HG   LYS  95          1HG       LYS  95   4.169  -4.017  -8.260
  724   1HD   LYS  95          2HD       LYS  95   6.525  -4.437  -7.971
  725   2HD   LYS  95          1HD       LYS  95   6.300  -3.682  -9.548
  726   1HE   LYS  95          2HE       LYS  95   7.380  -1.733  -8.904
  727   2HE   LYS  95          1HE       LYS  95   6.811  -1.836  -7.235
  728   1HZ   LYS  95          1HZ       LYS  95   8.895  -3.574  -8.442
  729   2HZ   LYS  95          2HZ       LYS  95   8.378  -3.600  -6.824
  730   3HZ   LYS  95          3HZ       LYS  95   9.196  -2.242  -7.437
  731    H    THR  96           H        THR  96   1.610  -0.894  -9.905
  732    HA   THR  96           HA       THR  96   2.350   1.702 -10.982
  733    HB   THR  96           HB       THR  96  -0.295   0.253 -11.316
  734    HG1  THR  96           1HG      THR  96   2.191  -0.444 -12.074
  735   1HG2  THR  96          1HG2      THR  96  -0.245   1.436 -13.522
  736   2HG2  THR  96          2HG2      THR  96   1.209   2.282 -12.990
  737   3HG2  THR  96          3HG2      THR  96  -0.318   2.535 -12.144
  738    H    THR  97           H        THR  97  -0.031   0.555  -8.613
  739    HA   THR  97           HA       THR  97  -1.510   2.986  -8.377
  740    HB   THR  97           HB       THR  97  -0.944   0.727  -6.474
  741    HG1  THR  97           1HG      THR  97  -2.751   0.056  -7.259
  742   1HG2  THR  97          1HG2      THR  97  -2.746   1.862  -5.024
  743   2HG2  THR  97          2HG2      THR  97  -2.314   3.336  -5.890
  744   3HG2  THR  97          3HG2      THR  97  -1.096   2.488  -4.932
  745    H    ILE  98           H        ILE  98   1.400   1.793  -6.722
  746    HA   ILE  98           HA       ILE  98   1.862   3.893  -4.927
  747    HB   ILE  98           HB       ILE  98   3.816   2.323  -6.602
  748   1HG1  ILE  98          2HG1      ILE  98   2.986   2.039  -3.694
  749   2HG1  ILE  98          1HG1      ILE  98   2.353   1.051  -5.008
  750   1HG2  ILE  98          1HG2      ILE  98   4.250   4.245  -4.306
  751   2HG2  ILE  98          2HG2      ILE  98   5.009   4.269  -5.896
  752   3HG2  ILE  98          3HG2      ILE  98   5.443   3.019  -4.734
  753   1HD1  ILE  98          1HD1      ILE  98   4.928   0.595  -5.479
  754   2HD1  ILE  98          2HD1      ILE  98   4.068  -0.314  -4.238
  755   3HD1  ILE  98          3HD1      ILE  98   5.088   1.048  -3.781
  756    H    ARG  99           H        ARG  99   2.509   3.679  -8.399
  757    HA   ARG  99           HA       ARG  99   4.016   6.027  -8.704
  758   1HB   ARG  99          2HB       ARG  99   3.434   4.266 -10.468
  759   2HB   ARG  99          1HB       ARG  99   1.918   5.131 -10.680
  760   1HG   ARG  99          2HG       ARG  99   3.049   6.406 -12.211
  761   2HG   ARG  99          1HG       ARG  99   3.750   7.214 -10.813
  762   1HD   ARG  99          2HD       ARG  99   5.032   4.728 -11.980
  763   2HD   ARG  99          1HD       ARG  99   5.355   6.324 -12.641
  764    HE   ARG  99           HE       ARG  99   5.792   6.613  -9.908
  765   1HH1  ARG  99          1HH2      ARG  99   6.901   4.584 -12.465
  766   2HH1  ARG  99          2HH2      ARG  99   8.484   4.375 -11.791
  767   1HH2  ARG  99          1HH1      ARG  99   7.852   6.355  -9.014
  768   2HH2  ARG  99          2HH1      ARG  99   9.021   5.375  -9.836
  769    H    ALA 100           H        ALA 100   0.459   5.681  -9.046
  770    HA   ALA 100           HA       ALA 100  -0.015   8.501  -9.280
  771   1HB   ALA 100          1HB       ALA 100  -1.706   6.780  -9.883
  772   2HB   ALA 100          2HB       ALA 100  -2.353   7.947  -8.729
  773   3HB   ALA 100          3HB       ALA 100  -1.854   6.347  -8.180
  774    H    TYR 101           H        TYR 101  -0.348   6.304  -6.477
  775    HA   TYR 101           HA       TYR 101  -0.915   8.272  -4.542
  776   1HB   TYR 101          2HB       TYR 101  -1.123   6.058  -3.815
  777   2HB   TYR 101          1HB       TYR 101   0.407   5.583  -4.496
  778    HD1  TYR 101           1HD      TYR 101   2.545   6.512  -3.458
  779    HD2  TYR 101           2HD      TYR 101  -1.283   6.627  -1.515
  780    HE1  TYR 101           1HE      TYR 101   3.663   6.780  -1.277
  781    HE2  TYR 101           2HE      TYR 101  -0.157   6.909   0.678
  782    HH   TYR 101           HH       TYR 101   2.761   6.141   1.347
  783    H    ASN 102           H        ASN 102   1.988   7.607  -6.296
  784    HA   ASN 102           HA       ASN 102   3.795   8.924  -4.468
  785   1HB   ASN 102          2HB       ASN 102   5.377   8.233  -5.947
  786   2HB   ASN 102          1HB       ASN 102   4.107   7.623  -6.983
  787   1HD2  ASN 102          1HD2      ASN 102   5.234  10.985  -6.196
  788   2HD2  ASN 102          2HD2      ASN 102   5.435  11.443  -7.821
  789    H    GLN 103           H        GLN 103   1.455  10.042  -6.863
  790    HA   GLN 103           HA       GLN 103   2.496  12.722  -7.061
  791   1HB   GLN 103          2HB       GLN 103   0.411  13.374  -7.992
  792   2HB   GLN 103          1HB       GLN 103   0.558  11.687  -8.463
  793   1HG   GLN 103          2HG       GLN 103  -1.673  11.900  -7.682
  794   2HG   GLN 103          1HG       GLN 103  -0.818  11.163  -6.341
  795   1HE2  GLN 103          1HE2      GLN 103  -0.982  12.123  -4.392
  796   2HE2  GLN 103          2HE2      GLN 103  -1.514  13.705  -4.111
  797    H    LYS 104           H        LYS 104   1.059  10.869  -4.639
  798    HA   LYS 104           HA       LYS 104   0.225  13.144  -2.960
  799   1HB   LYS 104          2HB       LYS 104  -0.832  11.543  -1.698
  800   2HB   LYS 104          1HB       LYS 104  -0.520  10.518  -3.077
  801   1HG   LYS 104          2HG       LYS 104   0.417   9.140  -1.516
  802   2HG   LYS 104          1HG       LYS 104   1.805  10.156  -1.714
  803   1HD   LYS 104          2HD       LYS 104   0.497  11.594   0.178
  804   2HD   LYS 104          1HD       LYS 104  -0.085   9.975   0.548
  805   1HE   LYS 104          2HE       LYS 104   1.847  10.122   1.865
  806   2HE   LYS 104          1HE       LYS 104   2.445   9.310   0.420
  807   1HZ   LYS 104          1HZ       LYS 104   3.048  11.551  -0.439
  808   2HZ   LYS 104          2HZ       LYS 104   3.934  11.061   0.926
  809   3HZ   LYS 104          3HZ       LYS 104   2.674  12.190   1.087
  810    H    TYR 105           H        TYR 105   3.059  11.194  -3.500
  811    HA   TYR 105           HA       TYR 105   4.451  12.531  -1.228
  812   1HB   TYR 105          2HB       TYR 105   5.308  10.445  -0.896
  813   2HB   TYR 105          1HB       TYR 105   4.587   9.876  -2.394
  814    HD1  TYR 105           1HD      TYR 105   5.784  10.588  -4.572
  815    HD2  TYR 105           2HD      TYR 105   7.662  10.562  -0.727
  816    HE1  TYR 105           1HE      TYR 105   8.013  10.479  -5.673
  817    HE2  TYR 105           2HE      TYR 105   9.893  10.460  -1.808
  818    HH   TYR 105           HH       TYR 105  10.445   9.524  -4.788
  819    H    GLY 106           H        GLY 106   3.730  13.138  -4.307
  820   1HA   GLY 106          2HA       GLY 106   6.395  13.957  -5.261
  821   2HA   GLY 106          1HA       GLY 106   4.865  14.206  -6.108
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  15.775   3.871   8.279
    2   2H    ALA   1          2HT       ALA   1  16.868   5.173   8.229
    3   3H    ALA   1          3HT       ALA   1  15.431   5.229   7.322
    4    HA   ALA   1           HA       ALA   1  15.798   5.505  10.236
    5   1HB   ALA   1          1HB       ALA   1  14.600   7.534   9.930
    6   2HB   ALA   1          2HB       ALA   1  13.997   7.034   8.348
    7   3HB   ALA   1          3HB       ALA   1  15.697   7.454   8.552
    8    H    ASP   2           H        ASP   2  13.081   6.345  10.600
    9    HA   ASP   2           HA       ASP   2  11.806   3.699  10.841
   10   1HB   ASP   2          2HB       ASP   2  11.205   6.491  11.784
   11   2HB   ASP   2          1HB       ASP   2   9.931   5.269  11.827
   12    H    LEU   3           H        LEU   3  11.726   6.431   8.757
   13    HA   LEU   3           HA       LEU   3   9.072   5.762   7.658
   14   1HB   LEU   3          2HB       LEU   3  11.082   7.833   6.711
   15   2HB   LEU   3          1HB       LEU   3   9.393   7.719   6.227
   16    HG   LEU   3           HG       LEU   3  10.301   8.152   9.090
   17   1HD1  LEU   3          1HD1      LEU   3   9.262  10.188   7.097
   18   2HD1  LEU   3          2HD1      LEU   3  10.947  10.036   7.595
   19   3HD1  LEU   3          3HD1      LEU   3   9.718  10.501   8.772
   20   1HD2  LEU   3          1HD2      LEU   3   8.099   7.275   9.132
   21   2HD2  LEU   3          2HD2      LEU   3   7.624   8.153   7.679
   22   3HD2  LEU   3          3HD2      LEU   3   7.854   9.017   9.197
   23    H    GLU   4           H        GLU   4  12.461   5.916   6.571
   24    HA   GLU   4           HA       GLU   4  12.013   4.751   3.993
   25   1HB   GLU   4          2HB       GLU   4  14.512   4.423   5.674
   26   2HB   GLU   4          1HB       GLU   4  14.388   4.451   3.915
   27   1HG   GLU   4          2HG       GLU   4  13.584   6.824   4.063
   28   2HG   GLU   4          1HG       GLU   4  13.912   6.777   5.797
   29    H    ASP   5           H        ASP   5  12.137   3.596   7.210
   30    HA   ASP   5           HA       ASP   5  12.723   0.825   6.591
   31   1HB   ASP   5          2HB       ASP   5  13.171   1.390   8.812
   32   2HB   ASP   5          1HB       ASP   5  11.735   2.401   8.937
   33    H    ASN   6           H        ASN   6   9.699   2.603   7.345
   34    HA   ASN   6           HA       ASN   6   7.880   0.485   7.134
   35   1HB   ASN   6          2HB       ASN   6   6.645   2.335   7.690
   36   2HB   ASN   6          1HB       ASN   6   7.787   3.421   6.913
   37   1HD2  ASN   6          1HD2      ASN   6   7.649   3.192   4.332
   38   2HD2  ASN   6          2HD2      ASN   6   6.071   3.198   3.704
   39    H    TRP   7           H        TRP   7   9.267   2.460   4.510
   40    HA   TRP   7           HA       TRP   7   7.829   1.355   2.343
   41   1HB   TRP   7          2HB       TRP   7  10.591   2.533   2.618
   42   2HB   TRP   7          1HB       TRP   7  10.110   1.814   1.085
   43    HD1  TRP   7           HD       TRP   7   8.795   4.477   3.575
   44    HE1  TRP   7           1HE      TRP   7   7.605   6.315   2.218
   45    HE3  TRP   7           3HE      TRP   7   9.168   2.486  -1.107
   46    HZ2  TRP   7           2HZ      TRP   7   6.903   6.867  -0.503
   47    HZ3  TRP   7           3HZ      TRP   7   8.232   3.685  -3.063
   48    HH2  TRP   7           HH       TRP   7   7.102   5.870  -2.768
   49    H    GLU   8           H        GLU   8  10.920   0.198   3.753
   50    HA   GLU   8           HA       GLU   8  11.271  -1.991   2.038
   51   1HB   GLU   8          2HB       GLU   8  12.844  -1.126   3.848
   52   2HB   GLU   8          1HB       GLU   8  11.842  -2.015   4.997
   53   1HG   GLU   8          2HG       GLU   8  12.206  -4.066   3.705
   54   2HG   GLU   8          1HG       GLU   8  13.289  -3.196   2.626
   55    H    THR   9           H        THR   9   9.063  -1.530   4.748
   56    HA   THR   9           HA       THR   9   8.401  -4.322   5.023
   57    HB   THR   9           HB       THR   9   6.670  -1.947   5.770
   58    HG1  THR   9           1HG      THR   9   7.734  -2.670   7.885
   59   1HG2  THR   9          1HG2      THR   9   5.686  -3.512   7.370
   60   2HG2  THR   9          2HG2      THR   9   6.785  -4.783   6.829
   61   3HG2  THR   9          3HG2      THR   9   5.546  -4.164   5.737
   62    H    LEU  10           H        LEU  10   6.328  -1.700   3.662
   63    HA   LEU  10           HA       LEU  10   4.560  -3.525   2.397
   64   1HB   LEU  10          2HB       LEU  10   3.839  -1.641   0.977
   65   2HB   LEU  10          1HB       LEU  10   3.951  -1.183   2.672
   66    HG   LEU  10           HG       LEU  10   6.467  -0.534   1.858
   67   1HD1  LEU  10          1HD1      LEU  10   4.669  -0.084  -0.542
   68   2HD1  LEU  10          2HD1      LEU  10   6.121  -1.084  -0.495
   69   3HD1  LEU  10          3HD1      LEU  10   6.251   0.662  -0.330
   70   1HD2  LEU  10          1HD2      LEU  10   3.969   1.163   1.656
   71   2HD2  LEU  10          2HD2      LEU  10   5.605   1.815   1.610
   72   3HD2  LEU  10          3HD2      LEU  10   5.023   0.994   3.060
   73    H    ASN  11           H        ASN  11   7.716  -2.307   1.460
   74    HA   ASN  11           HA       ASN  11   7.532  -3.198  -1.300
   75   1HB   ASN  11          2HB       ASN  11   9.216  -1.500  -0.313
   76   2HB   ASN  11          1HB       ASN  11  10.125  -2.913   0.230
   77   1HD2  ASN  11          1HD2      ASN  11   8.488  -1.767  -2.792
   78   2HD2  ASN  11          2HD2      ASN  11   9.700  -2.325  -3.842
   79    H    ASP  12           H        ASP  12   9.375  -4.514   1.479
   80    HA   ASP  12           HA       ASP  12  10.085  -6.973   0.264
   81   1HB   ASP  12          2HB       ASP  12  11.168  -6.321   2.311
   82   2HB   ASP  12          1HB       ASP  12   9.633  -6.246   3.175
   83    H    ASN  13           H        ASN  13   7.037  -5.847   1.243
   84    HA   ASN  13           HA       ASN  13   5.782  -8.392   1.868
   85   1HB   ASN  13          2HB       ASN  13   5.034  -5.568   1.565
   86   2HB   ASN  13          1HB       ASN  13   3.829  -6.626   0.898
   87   1HD2  ASN  13          1HD2      ASN  13   3.815  -4.856   3.357
   88   2HD2  ASN  13          2HD2      ASN  13   3.319  -5.890   4.617
   89    H    LEU  14           H        LEU  14   5.679  -6.167  -0.912
   90    HA   LEU  14           HA       LEU  14   4.178  -7.733  -2.690
   91   1HB   LEU  14          2HB       LEU  14   6.375  -5.717  -3.169
   92   2HB   LEU  14          1HB       LEU  14   5.430  -6.416  -4.483
   93    HG   LEU  14           HG       LEU  14   3.957  -5.227  -2.136
   94   1HD1  LEU  14          1HD1      LEU  14   5.168  -3.628  -4.409
   95   2HD1  LEU  14          2HD1      LEU  14   5.589  -3.495  -2.701
   96   3HD1  LEU  14          3HD1      LEU  14   3.985  -3.016  -3.254
   97   1HD2  LEU  14          1HD2      LEU  14   3.414  -5.226  -5.122
   98   2HD2  LEU  14          2HD2      LEU  14   2.293  -4.748  -3.848
   99   3HD2  LEU  14          3HD2      LEU  14   2.789  -6.431  -3.999
  100    H    LYS  15           H        LYS  15   7.559  -8.026  -1.811
  101    HA   LYS  15           HA       LYS  15   8.278  -9.672  -4.078
  102   1HB   LYS  15          2HB       LYS  15   9.949  -8.514  -2.599
  103   2HB   LYS  15          1HB       LYS  15   9.527  -9.640  -1.313
  104   1HG   LYS  15          2HG       LYS  15  10.055 -11.473  -3.181
  105   2HG   LYS  15          1HG       LYS  15  10.995 -10.160  -3.884
  106   1HD   LYS  15          2HD       LYS  15  12.581 -11.186  -2.512
  107   2HD   LYS  15          1HD       LYS  15  11.974  -9.917  -1.451
  108   1HE   LYS  15          2HE       LYS  15  11.835 -11.760  -0.033
  109   2HE   LYS  15          1HE       LYS  15  10.221 -11.806  -0.747
  110   1HZ   LYS  15          1HZ       LYS  15  12.016 -13.155  -2.436
  111   2HZ   LYS  15          2HZ       LYS  15  10.678 -13.781  -1.597
  112   3HZ   LYS  15          3HZ       LYS  15  12.211 -13.757  -0.864
  113    H    VAL  16           H        VAL  16   7.298 -10.378  -0.729
  114    HA   VAL  16           HA       VAL  16   7.465 -13.195  -0.861
  115    HB   VAL  16           HB       VAL  16   5.505 -11.444   0.657
  116   1HG1  VAL  16          1HG1      VAL  16   4.537 -13.626   0.581
  117   2HG1  VAL  16          2HG1      VAL  16   5.366 -13.526   2.135
  118   3HG1  VAL  16          3HG1      VAL  16   6.107 -14.403   0.796
  119   1HG2  VAL  16          1HG2      VAL  16   8.203 -12.665   1.296
  120   2HG2  VAL  16          2HG2      VAL  16   7.093 -12.155   2.566
  121   3HG2  VAL  16          3HG2      VAL  16   7.720 -10.974   1.421
  122    H    ILE  17           H        ILE  17   5.087 -11.027  -2.249
  123    HA   ILE  17           HA       ILE  17   3.051 -13.040  -2.671
  124    HB   ILE  17           HB       ILE  17   3.373 -10.553  -4.359
  125   1HG1  ILE  17          2HG1      ILE  17   2.285 -10.810  -1.540
  126   2HG1  ILE  17          1HG1      ILE  17   3.706  -9.905  -2.037
  127   1HG2  ILE  17          1HG2      ILE  17   0.942 -11.981  -3.244
  128   2HG2  ILE  17          2HG2      ILE  17   1.574 -12.241  -4.866
  129   3HG2  ILE  17          3HG2      ILE  17   0.937 -10.661  -4.409
  130   1HD1  ILE  17          1HD1      ILE  17   2.034  -8.252  -1.894
  131   2HD1  ILE  17          2HD1      ILE  17   0.813  -9.306  -2.606
  132   3HD1  ILE  17          3HD1      ILE  17   2.091  -8.630  -3.616
  133    H    GLU  18           H        GLU  18   4.901 -11.361  -5.248
  134    HA   GLU  18           HA       GLU  18   4.457 -13.194  -7.300
  135   1HB   GLU  18          2HB       GLU  18   7.246 -12.103  -7.031
  136   2HB   GLU  18          1HB       GLU  18   6.180 -12.121  -8.439
  137   1HG   GLU  18          2HG       GLU  18   4.710 -10.480  -7.055
  138   2HG   GLU  18          1HG       GLU  18   6.149 -10.257  -6.075
  139    H    LYS  19           H        LYS  19   6.543 -13.473  -4.535
  140    HA   LYS  19           HA       LYS  19   7.627 -16.069  -5.537
  141   1HB   LYS  19          2HB       LYS  19   8.577 -14.006  -3.638
  142   2HB   LYS  19          1HB       LYS  19   8.845 -15.651  -3.089
  143   1HG   LYS  19          2HG       LYS  19  10.786 -14.945  -4.354
  144   2HG   LYS  19          1HG       LYS  19   9.921 -16.151  -5.289
  145   1HD   LYS  19          2HD       LYS  19  10.418 -14.452  -6.865
  146   2HD   LYS  19          1HD       LYS  19   8.729 -14.184  -6.450
  147   1HE   LYS  19          2HE       LYS  19   9.204 -12.279  -5.183
  148   2HE   LYS  19          1HE       LYS  19  10.880 -12.749  -4.907
  149   1HZ   LYS  19          1HZ       LYS  19   9.721 -11.877  -7.495
  150   2HZ   LYS  19          2HZ       LYS  19  11.328 -12.371  -7.253
  151   3HZ   LYS  19          3HZ       LYS  19  10.748 -10.962  -6.502
  152    H    ALA  20           H        ALA  20   4.980 -15.012  -3.836
  153    HA   ALA  20           HA       ALA  20   4.850 -16.776  -1.601
  154   1HB   ALA  20          1HB       ALA  20   2.720 -15.582  -3.378
  155   2HB   ALA  20          2HB       ALA  20   3.100 -15.175  -1.708
  156   3HB   ALA  20          3HB       ALA  20   2.294 -16.695  -2.088
  157    H    ASP  21           H        ASP  21   3.418 -17.205  -4.814
  158    HA   ASP  21           HA       ASP  21   3.132 -19.131  -6.103
  159   1HB   ASP  21          2HB       ASP  21   4.846 -20.715  -4.207
  160   2HB   ASP  21          1HB       ASP  21   4.721 -20.832  -5.958
  161    H    ASN  22           H        ASN  22   2.190 -18.883  -2.848
  162    HA   ASN  22           HA       ASN  22   0.170 -21.007  -3.317
  163   1HB   ASN  22          2HB       ASN  22   1.348 -20.886  -0.553
  164   2HB   ASN  22          1HB       ASN  22   0.501 -22.209  -1.356
  165   1HD2  ASN  22          1HD2      ASN  22   3.392 -20.226  -1.994
  166   2HD2  ASN  22          2HD2      ASN  22   4.386 -21.536  -2.369
  167    H    ALA  23           H        ALA  23  -1.802 -20.556  -2.378
  168    HA   ALA  23           HA       ALA  23  -2.532 -17.881  -1.872
  169   1HB   ALA  23          1HB       ALA  23  -4.120 -19.707  -2.444
  170   2HB   ALA  23          2HB       ALA  23  -4.642 -18.782  -1.037
  171   3HB   ALA  23          3HB       ALA  23  -3.905 -20.371  -0.826
  172    H    ALA  24           H        ALA  24  -1.259 -20.281   0.357
  173    HA   ALA  24           HA       ALA  24  -2.130 -19.060   2.790
  174   1HB   ALA  24          1HB       ALA  24   0.410 -20.641   2.315
  175   2HB   ALA  24          2HB       ALA  24  -1.177 -21.353   2.604
  176   3HB   ALA  24          3HB       ALA  24  -0.399 -20.391   3.862
  177    H    GLN  25           H        GLN  25   1.019 -18.730   1.102
  178    HA   GLN  25           HA       GLN  25   2.013 -16.764   2.928
  179   1HB   GLN  25          2HB       GLN  25   2.932 -16.994   0.076
  180   2HB   GLN  25          1HB       GLN  25   3.871 -16.620   1.511
  181   1HG   GLN  25          2HG       GLN  25   3.250 -18.988   2.323
  182   2HG   GLN  25          1HG       GLN  25   2.743 -19.291   0.658
  183   1HE2  GLN  25          1HE2      GLN  25   4.509 -18.606  -1.033
  184   2HE2  GLN  25          2HE2      GLN  25   6.107 -19.025  -0.646
  185    H    VAL  26           H        VAL  26  -0.083 -16.505   0.132
  186    HA   VAL  26           HA       VAL  26   0.429 -13.692  -0.351
  187    HB   VAL  26           HB       VAL  26  -2.072 -15.275  -1.018
  188   1HG1  VAL  26          1HG1      VAL  26  -2.025 -12.625  -1.083
  189   2HG1  VAL  26          2HG1      VAL  26  -2.709 -13.516  -2.433
  190   3HG1  VAL  26          3HG1      VAL  26  -1.076 -12.869  -2.541
  191   1HG2  VAL  26          1HG2      VAL  26   0.582 -14.907  -2.421
  192   2HG2  VAL  26          2HG2      VAL  26  -0.880 -15.200  -3.357
  193   3HG2  VAL  26          3HG2      VAL  26  -0.342 -16.383  -2.179
  194    H    LYS  27           H        LYS  27  -2.168 -15.417   1.499
  195    HA   LYS  27           HA       LYS  27  -3.539 -13.087   2.347
  196   1HB   LYS  27          2HB       LYS  27  -2.895 -15.613   3.881
  197   2HB   LYS  27          1HB       LYS  27  -4.028 -14.399   4.453
  198   1HG   LYS  27          2HG       LYS  27  -5.701 -15.149   3.090
  199   2HG   LYS  27          1HG       LYS  27  -4.635 -15.314   1.703
  200   1HD   LYS  27          2HD       LYS  27  -5.479 -17.529   2.406
  201   2HD   LYS  27          1HD       LYS  27  -3.736 -17.405   2.630
  202   1HE   LYS  27          2HE       LYS  27  -3.877 -17.390   4.924
  203   2HE   LYS  27          1HE       LYS  27  -5.465 -16.624   4.942
  204   1HZ   LYS  27          1HZ       LYS  27  -6.143 -18.687   5.431
  205   2HZ   LYS  27          2HZ       LYS  27  -4.760 -19.430   4.778
  206   3HZ   LYS  27          3HZ       LYS  27  -6.029 -18.942   3.758
  207    H    ASP  28           H        ASP  28  -0.990 -14.929   3.889
  208    HA   ASP  28           HA       ASP  28  -0.356 -13.261   6.045
  209   1HB   ASP  28          2HB       ASP  28   1.615 -14.800   4.327
  210   2HB   ASP  28          1HB       ASP  28   1.829 -14.352   6.018
  211    H    ALA  29           H        ALA  29   0.704 -13.048   2.663
  212    HA   ALA  29           HA       ALA  29   2.589 -10.928   3.123
  213   1HB   ALA  29          1HB       ALA  29   2.519 -12.441   1.093
  214   2HB   ALA  29          2HB       ALA  29   2.711 -10.725   0.741
  215   3HB   ALA  29          3HB       ALA  29   1.139 -11.497   0.529
  216    H    LEU  30           H        LEU  30  -0.571 -10.748   1.417
  217    HA   LEU  30           HA       LEU  30  -0.706  -7.907   1.487
  218   1HB   LEU  30          2HB       LEU  30  -2.988  -9.904   1.430
  219   2HB   LEU  30          1HB       LEU  30  -3.122  -8.193   1.043
  220    HG   LEU  30           HG       LEU  30  -1.408 -10.203  -0.446
  221   1HD1  LEU  30          1HD1      LEU  30  -4.003 -10.240  -0.667
  222   2HD1  LEU  30          2HD1      LEU  30  -3.049 -10.172  -2.147
  223   3HD1  LEU  30          3HD1      LEU  30  -3.806  -8.708  -1.518
  224   1HD2  LEU  30          1HD2      LEU  30  -1.433  -8.125  -2.101
  225   2HD2  LEU  30          2HD2      LEU  30  -0.275  -8.181  -0.778
  226   3HD2  LEU  30          3HD2      LEU  30  -1.739  -7.210  -0.624
  227    H    THR  31           H        THR  31  -1.367 -10.265   3.958
  228    HA   THR  31           HA       THR  31  -3.126  -8.733   5.618
  229    HB   THR  31           HB       THR  31  -0.982 -10.753   6.349
  230    HG1  THR  31           1HG      THR  31  -3.802 -11.032   6.227
  231   1HG2  THR  31          1HG2      THR  31  -2.478 -10.978   8.438
  232   2HG2  THR  31          2HG2      THR  31  -3.135  -9.407   7.984
  233   3HG2  THR  31          3HG2      THR  31  -1.419  -9.571   8.355
  234    H    LYS  32           H        LYS  32   0.406  -8.985   5.518
  235    HA   LYS  32           HA       LYS  32   0.842  -7.043   7.613
  236   1HB   LYS  32          2HB       LYS  32   2.520  -8.437   5.549
  237   2HB   LYS  32          1HB       LYS  32   3.220  -7.106   6.476
  238   1HG   LYS  32          2HG       LYS  32   2.569  -8.291   8.576
  239   2HG   LYS  32          1HG       LYS  32   1.993  -9.641   7.598
  240   1HD   LYS  32          2HD       LYS  32   4.250  -9.912   6.637
  241   2HD   LYS  32          1HD       LYS  32   4.829  -8.568   7.621
  242   1HE   LYS  32          2HE       LYS  32   3.801 -11.248   8.579
  243   2HE   LYS  32          1HE       LYS  32   5.413 -10.571   8.802
  244   1HZ   LYS  32          1HZ       LYS  32   3.890  -8.663   9.883
  245   2HZ   LYS  32          2HZ       LYS  32   4.578  -9.938  10.770
  246   3HZ   LYS  32          3HZ       LYS  32   2.963 -10.035  10.251
  247    H    MET  33           H        MET  33   0.430  -6.852   4.120
  248    HA   MET  33           HA       MET  33   1.516  -4.202   3.776
  249   1HB   MET  33          2HB       MET  33  -0.672  -5.672   2.286
  250   2HB   MET  33          1HB       MET  33   0.002  -4.127   1.769
  251   1HG   MET  33          2HG       MET  33   2.288  -5.340   1.918
  252   2HG   MET  33          1HG       MET  33   1.333  -6.817   1.864
  253   1HE   MET  33          1HE       MET  33   2.164  -3.520   0.575
  254   2HE   MET  33          2HE       MET  33   0.745  -3.242  -0.426
  255   3HE   MET  33          3HE       MET  33   2.273  -3.685  -1.179
  256    H    ARG  34           H        ARG  34  -1.864  -5.248   3.841
  257    HA   ARG  34           HA       ARG  34  -3.045  -2.728   4.163
  258   1HB   ARG  34          2HB       ARG  34  -4.201  -5.026   3.868
  259   2HB   ARG  34          1HB       ARG  34  -4.064  -5.191   5.616
  260   1HG   ARG  34          2HG       ARG  34  -5.639  -3.535   6.043
  261   2HG   ARG  34          1HG       ARG  34  -5.272  -2.643   4.572
  262   1HD   ARG  34          2HD       ARG  34  -6.382  -4.428   3.238
  263   2HD   ARG  34          1HD       ARG  34  -6.827  -5.243   4.730
  264    HE   ARG  34           HE       ARG  34  -8.089  -2.865   3.647
  265   1HH1  ARG  34          1HH2      ARG  34  -7.266  -4.660   6.470
  266   2HH1  ARG  34          2HH2      ARG  34  -8.602  -4.068   7.401
  267   1HH2  ARG  34          1HH1      ARG  34  -9.864  -2.095   4.845
  268   2HH2  ARG  34          2HH1      ARG  34 -10.072  -2.623   6.481
  269    H    ALA  35           H        ALA  35  -1.186  -4.618   6.353
  270    HA   ALA  35           HA       ALA  35  -2.029  -3.232   8.781
  271   1HB   ALA  35          1HB       ALA  35  -0.456  -4.551   9.900
  272   2HB   ALA  35          2HB       ALA  35   0.642  -4.602   8.524
  273   3HB   ALA  35          3HB       ALA  35  -0.834  -5.567   8.511
  274    H    ALA  36           H        ALA  36   1.040  -3.168   6.893
  275    HA   ALA  36           HA       ALA  36   2.048  -0.833   8.216
  276   1HB   ALA  36          1HB       ALA  36   3.713  -0.770   6.494
  277   2HB   ALA  36          2HB       ALA  36   2.672  -1.637   5.364
  278   3HB   ALA  36          3HB       ALA  36   3.354  -2.477   6.758
  279    H    ALA  37           H        ALA  37  -0.126  -1.239   5.482
  280    HA   ALA  37           HA       ALA  37   0.005   1.396   4.424
  281   1HB   ALA  37          1HB       ALA  37  -2.089   0.920   3.383
  282   2HB   ALA  37          2HB       ALA  37  -2.540  -0.228   4.643
  283   3HB   ALA  37          3HB       ALA  37  -1.265  -0.634   3.494
  284    H    LEU  38           H        LEU  38  -1.981   0.034   7.043
  285    HA   LEU  38           HA       LEU  38  -3.402   2.452   7.632
  286   1HB   LEU  38          2HB       LEU  38  -2.699   0.051   9.344
  287   2HB   LEU  38          1HB       LEU  38  -3.759   1.348   9.889
  288    HG   LEU  38           HG       LEU  38  -4.341  -0.011   7.257
  289   1HD1  LEU  38          1HD1      LEU  38  -5.073  -1.080  10.002
  290   2HD1  LEU  38          2HD1      LEU  38  -4.054  -1.877   8.804
  291   3HD1  LEU  38          3HD1      LEU  38  -5.773  -1.646   8.485
  292   1HD2  LEU  38          1HD2      LEU  38  -5.672   1.952   7.865
  293   2HD2  LEU  38          2HD2      LEU  38  -6.045   1.248   9.439
  294   3HD2  LEU  38          3HD2      LEU  38  -6.683   0.512   7.970
  295    H    ASP  39           H        ASP  39  -0.239   1.208   8.616
  296    HA   ASP  39           HA       ASP  39   0.118   3.364  10.592
  297   1HB   ASP  39          2HB       ASP  39   1.112   0.933  10.641
  298   2HB   ASP  39          1HB       ASP  39   2.333   1.590   9.554
  299    H    ALA  40           H        ALA  40   0.778   2.769   7.238
  300    HA   ALA  40           HA       ALA  40   2.921   4.606   6.828
  301   1HB   ALA  40          1HB       ALA  40   2.331   3.039   5.079
  302   2HB   ALA  40          2HB       ALA  40   2.075   4.666   4.450
  303   3HB   ALA  40          3HB       ALA  40   0.697   3.699   4.976
  304    H    GLN  41           H        GLN  41  -0.566   5.105   7.031
  305    HA   GLN  41           HA       GLN  41  -1.019   7.593   5.980
  306   1HB   GLN  41          2HB       GLN  41  -2.624   6.213   7.366
  307   2HB   GLN  41          1HB       GLN  41  -1.828   6.834   8.806
  308   1HG   GLN  41          2HG       GLN  41  -2.817   8.811   6.768
  309   2HG   GLN  41          1HG       GLN  41  -3.992   8.039   7.824
  310   1HE2  GLN  41          1HE2      GLN  41  -1.072  10.102   7.839
  311   2HE2  GLN  41          2HE2      GLN  41  -1.322  10.728   9.398
  312    H    LYS  42           H        LYS  42   0.035   7.224   9.358
  313    HA   LYS  42           HA       LYS  42   0.699   9.931   9.810
  314   1HB   LYS  42          2HB       LYS  42   2.183   7.600  11.035
  315   2HB   LYS  42          1HB       LYS  42   1.864   9.188  11.743
  316   1HG   LYS  42          2HG       LYS  42  -0.291   7.164  11.063
  317   2HG   LYS  42          1HG       LYS  42   0.394   7.386  12.667
  318   1HD   LYS  42          2HD       LYS  42  -0.267   9.844  12.464
  319   2HD   LYS  42          1HD       LYS  42  -1.201   9.362  11.052
  320   1HE   LYS  42          2HE       LYS  42  -2.373   7.663  12.477
  321   2HE   LYS  42          1HE       LYS  42  -1.542   8.339  13.877
  322   1HZ   LYS  42          1HZ       LYS  42  -2.897  10.089  13.916
  323   2HZ   LYS  42          2HZ       LYS  42  -3.909   9.200  12.881
  324   3HZ   LYS  42          3HZ       LYS  42  -2.810  10.325  12.238
  325    H    ALA  43           H        ALA  43   2.121   7.992   7.520
  326    HA   ALA  43           HA       ALA  43   4.900   8.838   7.965
  327   1HB   ALA  43          1HB       ALA  43   4.145   6.636   6.864
  328   2HB   ALA  43          2HB       ALA  43   5.461   7.515   6.091
  329   3HB   ALA  43          3HB       ALA  43   3.832   7.607   5.425
  330    H    THR  44           H        THR  44   6.038  10.333   6.757
  331    HA   THR  44           HA       THR  44   4.824  11.759   4.525
  332    HB   THR  44           HB       THR  44   5.573  13.524   6.859
  333    HG1  THR  44           1HG      THR  44   3.541  13.348   7.674
  334   1HG2  THR  44          1HG2      THR  44   5.173  14.650   4.765
  335   2HG2  THR  44          2HG2      THR  44   3.781  14.943   5.798
  336   3HG2  THR  44          3HG2      THR  44   3.674  13.759   4.503
  337    HA   PRO  45           HA       PRO  45   9.406  11.194   4.416
  338   1HB   PRO  45          2HB       PRO  45   9.038  11.762   1.524
  339   2HB   PRO  45          1HB       PRO  45   9.846  10.406   2.312
  340   1HG   PRO  45          2HG       PRO  45   7.410  10.186   1.116
  341   2HG   PRO  45          1HG       PRO  45   7.944   9.163   2.455
  342   1HD   PRO  45          2HD       PRO  45   5.963  11.386   2.479
  343   2HD   PRO  45          1HD       PRO  45   6.087   9.978   3.551
  344    HA   PRO  46           HA       PRO  46   9.904  15.640   2.906
  345   1HB   PRO  46          2HB       PRO  46   7.827  17.104   1.980
  346   2HB   PRO  46          1HB       PRO  46   8.683  15.946   0.942
  347   1HG   PRO  46          2HG       PRO  46   6.030  15.694   2.266
  348   2HG   PRO  46          1HG       PRO  46   6.578  15.065   0.705
  349   1HD   PRO  46          2HD       PRO  46   6.417  13.590   3.104
  350   2HD   PRO  46          1HD       PRO  46   7.284  13.101   1.647
  351    H    LYS  47           H        LYS  47   6.633  16.703   3.571
  352    HA   LYS  47           HA       LYS  47   6.742  16.722   6.419
  353   1HB   LYS  47          2HB       LYS  47   7.011  19.439   6.366
  354   2HB   LYS  47          1HB       LYS  47   8.351  18.351   6.675
  355   1HG   LYS  47          2HG       LYS  47   9.242  18.592   4.529
  356   2HG   LYS  47          1HG       LYS  47   7.687  19.054   3.831
  357   1HD   LYS  47          2HD       LYS  47   7.822  21.209   5.060
  358   2HD   LYS  47          1HD       LYS  47   9.391  20.733   5.699
  359   1HE   LYS  47          2HE       LYS  47  10.267  20.554   3.390
  360   2HE   LYS  47          1HE       LYS  47   8.701  21.075   2.766
  361   1HZ   LYS  47          1HZ       LYS  47   9.289  22.967   4.609
  362   2HZ   LYS  47          2HZ       LYS  47   9.535  23.119   2.934
  363   3HZ   LYS  47          3HZ       LYS  47  10.812  22.629   3.942
  364    H    LEU  48           H        LEU  48   4.624  16.836   6.952
  365    HA   LEU  48           HA       LEU  48   2.684  17.976   5.065
  366   1HB   LEU  48          2HB       LEU  48   2.627  16.174   7.379
  367   2HB   LEU  48          1HB       LEU  48   1.373  17.394   7.532
  368    HG   LEU  48           HG       LEU  48   1.739  15.881   4.938
  369   1HD1  LEU  48          1HD1      LEU  48   0.273  15.021   7.437
  370   2HD1  LEU  48          2HD1      LEU  48   1.431  14.095   6.479
  371   3HD1  LEU  48          3HD1      LEU  48  -0.179  14.426   5.838
  372   1HD2  LEU  48          1HD2      LEU  48  -0.512  16.578   4.522
  373   2HD2  LEU  48          2HD2      LEU  48   0.300  17.994   5.192
  374   3HD2  LEU  48          3HD2      LEU  48  -0.761  17.021   6.211
  375    H    GLU  49           H        GLU  49   0.865  19.340   6.532
  376    HA   GLU  49           HA       GLU  49   0.518  21.531   7.322
  377   1HB   GLU  49          2HB       GLU  49   2.648  20.402   9.142
  378   2HB   GLU  49          1HB       GLU  49   2.104  22.067   9.345
  379   1HG   GLU  49          2HG       GLU  49   0.830  20.516  10.792
  380   2HG   GLU  49          1HG       GLU  49  -0.216  21.292   9.602
  381    H    ASP  50           H        ASP  50   2.668  20.858   5.251
  382    HA   ASP  50           HA       ASP  50   3.802  23.589   5.127
  383   1HB   ASP  50          2HB       ASP  50   5.492  21.066   5.164
  384   2HB   ASP  50          1HB       ASP  50   6.077  22.644   4.619
  385    H    LYS  51           H        LYS  51   3.957  20.399   3.492
  386    HA   LYS  51           HA       LYS  51   4.323  21.572   0.902
  387   1HB   LYS  51          2HB       LYS  51   4.028  19.376   0.040
  388   2HB   LYS  51          1HB       LYS  51   4.837  19.185   1.580
  389   1HG   LYS  51          2HG       LYS  51   3.079  18.051   2.523
  390   2HG   LYS  51          1HG       LYS  51   1.870  19.091   1.797
  391   1HD   LYS  51          2HD       LYS  51   1.569  16.911   0.850
  392   2HD   LYS  51          1HD       LYS  51   2.300  17.907  -0.406
  393   1HE   LYS  51          2HE       LYS  51   3.661  16.026  -0.530
  394   2HE   LYS  51          1HE       LYS  51   4.565  16.965   0.656
  395   1HZ   LYS  51          1HZ       LYS  51   4.341  15.170   1.937
  396   2HZ   LYS  51          2HZ       LYS  51   3.103  14.510   0.982
  397   3HZ   LYS  51          3HZ       LYS  51   2.739  15.669   2.170
  398    H    SER  52           H        SER  52   2.297  20.357  -0.684
  399    HA   SER  52           HA       SER  52   0.161  22.282  -0.286
  400   1HB   SER  52          2HB       SER  52   0.817  20.216  -2.354
  401   2HB   SER  52          1HB       SER  52  -0.810  20.888  -2.307
  402    HG   SER  52           HG       SER  52  -0.019  22.857  -2.753
  403    HA   PRO  53           HA       PRO  53  -2.069  19.076   2.099
  404   1HB   PRO  53          2HB       PRO  53  -3.768  20.645   3.421
  405   2HB   PRO  53          1HB       PRO  53  -2.023  20.775   3.752
  406   1HG   PRO  53          2HG       PRO  53  -3.733  22.484   1.974
  407   2HG   PRO  53          1HG       PRO  53  -2.572  22.986   3.224
  408   1HD   PRO  53          2HD       PRO  53  -1.940  22.861   0.542
  409   2HD   PRO  53          1HD       PRO  53  -0.739  22.650   1.837
  410    H    ASP  54           H        ASP  54  -3.292  21.319  -0.207
  411    HA   ASP  54           HA       ASP  54  -5.006  21.127  -1.756
  412   1HB   ASP  54          2HB       ASP  54  -4.510  18.538  -1.303
  413   2HB   ASP  54          1HB       ASP  54  -6.076  18.607  -0.500
  414    H    SER  55           H        SER  55  -7.520  21.303  -1.686
  415    HA   SER  55           HA       SER  55  -8.206  22.746   0.759
  416   1HB   SER  55          2HB       SER  55  -9.317  23.909  -0.855
  417   2HB   SER  55          1HB       SER  55  -9.256  22.560  -1.980
  418    HG   SER  55           HG       SER  55 -11.391  23.107  -1.309
  419    HA   PRO  56           HA       PRO  56 -11.692  19.085   0.654
  420   1HB   PRO  56          2HB       PRO  56  -9.460  17.138   0.185
  421   2HB   PRO  56          1HB       PRO  56 -11.199  16.935  -0.128
  422   1HG   PRO  56          2HG       PRO  56  -9.598  17.563  -2.113
  423   2HG   PRO  56          1HG       PRO  56 -11.156  18.398  -1.951
  424   1HD   PRO  56          2HD       PRO  56  -8.405  19.425  -1.384
  425   2HD   PRO  56          1HD       PRO  56  -9.839  20.312  -1.947
  426    H    GLU  57           H        GLU  57 -10.816  20.333   2.826
  427    HA   GLU  57           HA       GLU  57 -10.012  20.127   5.056
  428   1HB   GLU  57          2HB       GLU  57 -11.630  17.581   4.724
  429   2HB   GLU  57          1HB       GLU  57 -11.270  18.386   6.251
  430   1HG   GLU  57          2HG       GLU  57 -12.605  20.277   5.692
  431   2HG   GLU  57          1HG       GLU  57 -12.700  19.807   3.995
  432    H    MET  58           H        MET  58  -8.251  18.939   2.992
  433    HA   MET  58           HA       MET  58  -6.303  17.694   2.902
  434   1HB   MET  58          2HB       MET  58  -6.656  17.047   5.825
  435   2HB   MET  58          1HB       MET  58  -5.181  17.190   4.889
  436   1HG   MET  58          2HG       MET  58  -5.054  19.272   5.798
  437   2HG   MET  58          1HG       MET  58  -6.229  19.716   4.555
  438   1HE   MET  58          1HE       MET  58  -5.740  21.333   6.956
  439   2HE   MET  58          2HE       MET  58  -5.465  20.110   8.195
  440   3HE   MET  58          3HE       MET  58  -6.836  21.208   8.338
  441    H    LYS  59           H        LYS  59  -9.298  16.532   3.766
  442    HA   LYS  59           HA       LYS  59  -9.054  13.814   4.321
  443   1HB   LYS  59          2HB       LYS  59 -11.157  15.278   4.014
  444   2HB   LYS  59          1HB       LYS  59 -10.987  14.967   2.281
  445   1HG   LYS  59          2HG       LYS  59 -10.934  12.560   4.085
  446   2HG   LYS  59          1HG       LYS  59 -12.478  13.388   3.943
  447   1HD   LYS  59          2HD       LYS  59 -12.678  12.942   1.659
  448   2HD   LYS  59          1HD       LYS  59 -10.943  12.748   1.436
  449   1HE   LYS  59          2HE       LYS  59 -12.772  10.819   2.899
  450   2HE   LYS  59          1HE       LYS  59 -12.055  10.562   1.311
  451   1HZ   LYS  59          1HZ       LYS  59  -9.888  11.119   2.725
  452   2HZ   LYS  59          2HZ       LYS  59 -10.482   9.541   2.523
  453   3HZ   LYS  59          3HZ       LYS  59 -10.833  10.410   3.942
  454    H    ASP  60           H        ASP  60  -8.838  15.504   1.232
  455    HA   ASP  60           HA       ASP  60  -8.689  13.271  -0.477
  456   1HB   ASP  60          2HB       ASP  60  -8.965  15.409  -1.442
  457   2HB   ASP  60          1HB       ASP  60  -7.551  16.067  -0.624
  458    H    PHE  61           H        PHE  61  -6.312  14.620   1.709
  459    HA   PHE  61           HA       PHE  61  -4.036  13.190   0.578
  460   1HB   PHE  61          2HB       PHE  61  -4.154  15.271   2.229
  461   2HB   PHE  61          1HB       PHE  61  -4.222  14.031   3.475
  462    HD1  PHE  61           1HD      PHE  61  -2.224  13.087   4.273
  463    HD2  PHE  61           2HD      PHE  61  -2.245  15.046   0.451
  464    HE1  PHE  61           1HE      PHE  61   0.248  12.852   4.139
  465    HE2  PHE  61           2HE      PHE  61   0.219  14.803   0.312
  466    HZ   PHE  61           HZ       PHE  61   1.465  13.712   2.159
  467    H    ARG  62           H        ARG  62  -6.085  12.802   3.440
  468    HA   ARG  62           HA       ARG  62  -5.154  10.221   4.218
  469   1HB   ARG  62          2HB       ARG  62  -7.820  11.594   4.686
  470   2HB   ARG  62          1HB       ARG  62  -7.257  10.182   5.567
  471   1HG   ARG  62          2HG       ARG  62  -6.098  11.508   7.010
  472   2HG   ARG  62          1HG       ARG  62  -5.148  12.155   5.675
  473   1HD   ARG  62          2HD       ARG  62  -6.911  13.831   5.238
  474   2HD   ARG  62          1HD       ARG  62  -7.850  13.178   6.571
  475    HE   ARG  62           HE       ARG  62  -5.167  13.955   7.381
  476   1HH1  ARG  62          1HH2      ARG  62  -8.393  14.988   6.731
  477   2HH1  ARG  62          2HH2      ARG  62  -8.316  16.341   7.809
  478   1HH2  ARG  62          1HH1      ARG  62  -5.054  15.714   8.795
  479   2HH2  ARG  62          2HH1      ARG  62  -6.429  16.751   8.976
  480    H    HIS  63           H        HIS  63  -7.619  11.272   1.919
  481    HA   HIS  63           HA       HIS  63  -8.932   8.741   1.520
  482   1HB   HIS  63          2HB       HIS  63  -9.400  11.227   0.591
  483   2HB   HIS  63          1HB       HIS  63  -8.521  10.619  -0.801
  484    HD1  HIS  63           1HD      HIS  63 -10.570   8.194   1.142
  485    HD2  HIS  63           2HD      HIS  63 -11.029  10.565  -2.253
  486    HE1  HIS  63           1HE      HIS  63 -12.643   7.374  -0.016
  487    H    GLY  64           H        GLY  64  -5.988  10.161   0.114
  488   1HA   GLY  64          2HA       GLY  64  -5.629   8.084  -1.825
  489   2HA   GLY  64          1HA       GLY  64  -4.337   9.107  -1.193
  490    H    PHE  65           H        PHE  65  -4.924   8.334   1.614
  491    HA   PHE  65           HA       PHE  65  -3.405   5.802   1.619
  492   1HB   PHE  65          2HB       PHE  65  -4.359   7.662   3.807
  493   2HB   PHE  65          1HB       PHE  65  -3.577   6.117   4.150
  494    HD1  PHE  65           1HD      PHE  65  -3.033   9.552   3.427
  495    HD2  PHE  65           2HD      PHE  65  -1.309   5.661   2.923
  496    HE1  PHE  65           1HE      PHE  65  -0.816  10.582   3.043
  497    HE2  PHE  65           2HE      PHE  65   0.910   6.694   2.524
  498    HZ   PHE  65           HZ       PHE  65   1.151   9.164   2.571
  499    H    ASP  66           H        ASP  66  -6.618   6.997   2.519
  500    HA   ASP  66           HA       ASP  66  -7.558   4.460   3.546
  501   1HB   ASP  66          2HB       ASP  66  -8.578   6.845   3.861
  502   2HB   ASP  66          1HB       ASP  66  -9.344   6.562   2.298
  503    H    ILE  67           H        ILE  67  -7.841   6.157   0.424
  504    HA   ILE  67           HA       ILE  67  -9.346   4.197  -0.954
  505    HB   ILE  67           HB       ILE  67  -7.198   6.103  -1.946
  506   1HG1  ILE  67          2HG1      ILE  67  -9.504   6.908  -0.964
  507   2HG1  ILE  67          1HG1      ILE  67  -8.937   7.584  -2.485
  508   1HG2  ILE  67          1HG2      ILE  67  -8.341   5.647  -4.215
  509   2HG2  ILE  67          2HG2      ILE  67  -8.968   4.182  -3.459
  510   3HG2  ILE  67          3HG2      ILE  67  -7.228   4.425  -3.602
  511   1HD1  ILE  67          1HD1      ILE  67 -11.368   6.896  -2.496
  512   2HD1  ILE  67          2HD1      ILE  67 -10.845   5.225  -2.334
  513   3HD1  ILE  67          3HD1      ILE  67 -10.407   6.153  -3.766
  514    H    LEU  68           H        LEU  68  -5.868   4.452  -0.347
  515    HA   LEU  68           HA       LEU  68  -4.979   2.332  -1.986
  516   1HB   LEU  68          2HB       LEU  68  -3.667   4.071  -0.504
  517   2HB   LEU  68          1HB       LEU  68  -3.772   2.839   0.736
  518    HG   LEU  68           HG       LEU  68  -1.708   2.419  -0.277
  519   1HD1  LEU  68          1HD1      LEU  68  -3.133   0.365  -0.204
  520   2HD1  LEU  68          2HD1      LEU  68  -1.862   0.321  -1.418
  521   3HD1  LEU  68          3HD1      LEU  68  -3.519   0.626  -1.904
  522   1HD2  LEU  68          1HD2      LEU  68  -1.293   2.468  -2.680
  523   2HD2  LEU  68          2HD2      LEU  68  -2.005   3.990  -2.153
  524   3HD2  LEU  68          3HD2      LEU  68  -2.994   2.796  -2.987
  525    H    VAL  69           H        VAL  69  -5.983   2.292   1.417
  526    HA   VAL  69           HA       VAL  69  -5.597  -0.454   1.904
  527    HB   VAL  69           HB       VAL  69  -7.510   1.570   3.084
  528   1HG1  VAL  69          1HG1      VAL  69  -6.992  -1.290   3.815
  529   2HG1  VAL  69          2HG1      VAL  69  -8.537  -0.491   3.558
  530   3HG1  VAL  69          3HG1      VAL  69  -7.588  -0.132   5.000
  531   1HG2  VAL  69          1HG2      VAL  69  -5.907   1.635   4.918
  532   2HG2  VAL  69          2HG2      VAL  69  -5.034   1.906   3.411
  533   3HG2  VAL  69          3HG2      VAL  69  -4.974   0.329   4.193
  534    H    GLY  70           H        GLY  70  -7.964   1.180   0.007
  535   1HA   GLY  70          2HA       GLY  70 -10.024  -0.858   0.288
  536   2HA   GLY  70          1HA       GLY  70 -10.017   0.446  -0.891
  537    H    GLN  71           H        GLN  71  -7.562  -0.116  -2.246
  538    HA   GLN  71           HA       GLN  71  -8.490  -2.352  -3.865
  539   1HB   GLN  71          2HB       GLN  71  -6.832  -1.774  -5.398
  540   2HB   GLN  71          1HB       GLN  71  -7.094  -0.240  -4.590
  541   1HG   GLN  71          2HG       GLN  71  -4.756  -0.464  -4.642
  542   2HG   GLN  71          1HG       GLN  71  -5.181  -0.950  -3.014
  543   1HE2  GLN  71          1HE2      GLN  71  -6.245  -3.394  -5.071
  544   2HE2  GLN  71          2HE2      GLN  71  -4.896  -4.414  -4.982
  545    H    ILE  72           H        ILE  72  -6.227  -1.898  -1.268
  546    HA   ILE  72           HA       ILE  72  -5.040  -4.546  -1.521
  547    HB   ILE  72           HB       ILE  72  -5.100  -2.526   0.764
  548   1HG1  ILE  72          2HG1      ILE  72  -3.078  -3.304  -1.365
  549   2HG1  ILE  72          1HG1      ILE  72  -3.807  -1.724  -1.094
  550   1HG2  ILE  72          1HG2      ILE  72  -3.424  -3.925   1.876
  551   2HG2  ILE  72          2HG2      ILE  72  -3.416  -5.059   0.526
  552   3HG2  ILE  72          3HG2      ILE  72  -4.831  -4.927   1.562
  553   1HD1  ILE  72          1HD1      ILE  72  -1.583  -1.620  -0.197
  554   2HD1  ILE  72          2HD1      ILE  72  -1.789  -3.144   0.657
  555   3HD1  ILE  72          3HD1      ILE  72  -2.677  -1.714   1.182
  556    H    ASP  73           H        ASP  73  -7.833  -3.089   0.065
  557    HA   ASP  73           HA       ASP  73  -8.403  -5.242   1.865
  558   1HB   ASP  73          2HB       ASP  73  -9.520  -3.125   2.142
  559   2HB   ASP  73          1HB       ASP  73 -10.242  -3.237   0.533
  560    H    ASP  74           H        ASP  74  -9.891  -4.566  -1.332
  561    HA   ASP  74           HA       ASP  74 -11.303  -7.049  -1.472
  562   1HB   ASP  74          2HB       ASP  74 -11.847  -5.136  -2.924
  563   2HB   ASP  74          1HB       ASP  74 -10.284  -5.289  -3.726
  564    H    ALA  75           H        ALA  75  -7.960  -6.209  -2.253
  565    HA   ALA  75           HA       ALA  75  -7.493  -8.672  -3.720
  566   1HB   ALA  75          1HB       ALA  75  -5.484  -6.845  -2.358
  567   2HB   ALA  75          2HB       ALA  75  -6.064  -6.638  -4.011
  568   3HB   ALA  75          3HB       ALA  75  -5.122  -8.064  -3.579
  569    H    LEU  76           H        LEU  76  -7.402  -7.658  -0.362
  570    HA   LEU  76           HA       LEU  76  -5.884  -9.772   0.727
  571   1HB   LEU  76          2HB       LEU  76  -7.373  -7.617   1.694
  572   2HB   LEU  76          1HB       LEU  76  -8.324  -8.983   2.243
  573    HG   LEU  76           HG       LEU  76  -5.868  -9.860   2.983
  574   1HD1  LEU  76          1HD1      LEU  76  -5.558  -6.952   3.661
  575   2HD1  LEU  76          2HD1      LEU  76  -5.059  -7.489   2.062
  576   3HD1  LEU  76          3HD1      LEU  76  -4.327  -8.206   3.495
  577   1HD2  LEU  76          1HD2      LEU  76  -7.628  -7.929   4.520
  578   2HD2  LEU  76          2HD2      LEU  76  -6.355  -8.906   5.250
  579   3HD2  LEU  76          3HD2      LEU  76  -7.753  -9.689   4.510
  580    H    LYS  77           H        LYS  77  -9.132  -9.486  -0.469
  581    HA   LYS  77           HA       LYS  77 -10.169 -11.999   0.409
  582   1HB   LYS  77          2HB       LYS  77 -11.403  -9.899  -0.466
  583   2HB   LYS  77          1HB       LYS  77 -10.999 -10.494  -2.078
  584   1HG   LYS  77          2HG       LYS  77 -13.092 -11.468  -1.715
  585   2HG   LYS  77          1HG       LYS  77 -11.979 -12.745  -1.228
  586   1HD   LYS  77          2HD       LYS  77 -12.263 -11.357   1.150
  587   2HD   LYS  77          1HD       LYS  77 -13.852 -11.135   0.433
  588   1HE   LYS  77          2HE       LYS  77 -13.893 -13.662   0.056
  589   2HE   LYS  77          1HE       LYS  77 -12.450 -13.746   1.076
  590   1HZ   LYS  77          1HZ       LYS  77 -15.059 -13.695   1.927
  591   2HZ   LYS  77          2HZ       LYS  77 -14.481 -12.132   2.253
  592   3HZ   LYS  77          3HZ       LYS  77 -13.678 -13.486   2.890
  593    H    LEU  78           H        LEU  78  -8.622 -10.909  -2.604
  594    HA   LEU  78           HA       LEU  78  -9.017 -13.299  -4.074
  595   1HB   LEU  78          2HB       LEU  78  -7.187 -10.938  -4.223
  596   2HB   LEU  78          1HB       LEU  78  -6.650 -12.374  -5.110
  597    HG   LEU  78           HG       LEU  78  -8.835 -12.465  -6.271
  598   1HD1  LEU  78          1HD1      LEU  78 -10.269 -10.348  -6.047
  599   2HD1  LEU  78          2HD1      LEU  78  -9.362 -10.016  -4.573
  600   3HD1  LEU  78          3HD1      LEU  78 -10.337 -11.480  -4.698
  601   1HD2  LEU  78          1HD2      LEU  78  -6.815 -11.045  -7.048
  602   2HD2  LEU  78          2HD2      LEU  78  -7.736  -9.651  -6.494
  603   3HD2  LEU  78          3HD2      LEU  78  -8.379 -10.678  -7.776
  604    H    ALA  79           H        ALA  79  -6.515 -12.382  -1.761
  605    HA   ALA  79           HA       ALA  79  -4.820 -14.662  -2.152
  606   1HB   ALA  79          1HB       ALA  79  -4.328 -12.532  -0.819
  607   2HB   ALA  79          2HB       ALA  79  -3.806 -14.042  -0.081
  608   3HB   ALA  79          3HB       ALA  79  -5.272 -13.246   0.483
  609    H    ASN  80           H        ASN  80  -7.413 -14.046   0.235
  610    HA   ASN  80           HA       ASN  80  -7.293 -16.736   1.271
  611   1HB   ASN  80          2HB       ASN  80  -8.273 -14.442   2.280
  612   2HB   ASN  80          1HB       ASN  80  -9.777 -15.113   1.652
  613   1HD2  ASN  80          1HD2      ASN  80  -6.877 -16.390   3.373
  614   2HD2  ASN  80          2HD2      ASN  80  -7.748 -17.346   4.440
  615    H    GLU  81           H        GLU  81  -8.650 -15.507  -1.596
  616    HA   GLU  81           HA       GLU  81 -10.765 -17.603  -1.692
  617   1HB   GLU  81          2HB       GLU  81 -10.048 -15.284  -3.487
  618   2HB   GLU  81          1HB       GLU  81 -11.209 -16.518  -3.967
  619   1HG   GLU  81          2HG       GLU  81 -11.433 -15.017  -1.353
  620   2HG   GLU  81          1HG       GLU  81 -12.187 -14.439  -2.840
  621    H    GLY  82           H        GLY  82  -7.503 -17.206  -2.521
  622   1HA   GLY  82          2HA       GLY  82  -6.170 -19.033  -3.352
  623   2HA   GLY  82          1HA       GLY  82  -7.598 -19.705  -4.128
  624    H    LYS  83           H        LYS  83  -7.256 -16.324  -4.626
  625    HA   LYS  83           HA       LYS  83  -6.420 -16.858  -7.443
  626   1HB   LYS  83          2HB       LYS  83  -7.223 -14.130  -6.468
  627   2HB   LYS  83          1HB       LYS  83  -7.430 -14.851  -8.056
  628   1HG   LYS  83          2HG       LYS  83  -8.975 -15.485  -5.554
  629   2HG   LYS  83          1HG       LYS  83  -9.583 -14.743  -7.022
  630   1HD   LYS  83          2HD       LYS  83  -8.696 -16.973  -8.159
  631   2HD   LYS  83          1HD       LYS  83  -8.848 -17.616  -6.523
  632   1HE   LYS  83          2HE       LYS  83 -10.924 -18.020  -7.725
  633   2HE   LYS  83          1HE       LYS  83 -11.215 -16.809  -6.475
  634   1HZ   LYS  83          1HZ       LYS  83 -11.991 -15.523  -8.092
  635   2HZ   LYS  83          2HZ       LYS  83 -11.431 -16.570  -9.307
  636   3HZ   LYS  83          3HZ       LYS  83 -10.400 -15.381  -8.665
  637    H    VAL  84           H        VAL  84  -4.256 -17.296  -6.681
  638    HA   VAL  84           HA       VAL  84  -2.620 -15.226  -5.480
  639    HB   VAL  84           HB       VAL  84  -1.902 -17.834  -6.853
  640   1HG1  VAL  84          1HG1      VAL  84   0.298 -17.414  -5.529
  641   2HG1  VAL  84          2HG1      VAL  84  -0.208 -15.725  -5.519
  642   3HG1  VAL  84          3HG1      VAL  84   0.062 -16.554  -7.049
  643   1HG2  VAL  84          1HG2      VAL  84  -2.262 -16.970  -3.982
  644   2HG2  VAL  84          2HG2      VAL  84  -1.365 -18.424  -4.416
  645   3HG2  VAL  84          3HG2      VAL  84  -3.074 -18.284  -4.831
  646    H    LYS  85           H        LYS  85  -2.734 -16.657  -8.768
  647    HA   LYS  85           HA       LYS  85  -0.837 -14.927  -9.942
  648   1HB   LYS  85          2HB       LYS  85  -3.383 -15.946 -11.254
  649   2HB   LYS  85          1HB       LYS  85  -1.929 -15.395 -12.081
  650   1HG   LYS  85          2HG       LYS  85  -1.302 -17.598 -12.077
  651   2HG   LYS  85          1HG       LYS  85  -0.898 -17.341 -10.384
  652   1HD   LYS  85          2HD       LYS  85  -3.238 -18.026  -9.781
  653   2HD   LYS  85          1HD       LYS  85  -3.523 -18.402 -11.478
  654   1HE   LYS  85          2HE       LYS  85  -1.649 -20.018 -11.428
  655   2HE   LYS  85          1HE       LYS  85  -1.393 -19.661  -9.721
  656   1HZ   LYS  85          1HZ       LYS  85  -2.734 -21.638  -9.985
  657   2HZ   LYS  85          2HZ       LYS  85  -3.869 -20.786 -10.920
  658   3HZ   LYS  85          3HZ       LYS  85  -3.660 -20.404  -9.277
  659    H    GLU  86           H        GLU  86  -4.257 -14.447  -9.215
  660    HA   GLU  86           HA       GLU  86  -4.445 -11.856 -10.495
  661   1HB   GLU  86          2HB       GLU  86  -6.135 -12.961  -8.215
  662   2HB   GLU  86          1HB       GLU  86  -6.544 -11.611  -9.278
  663   1HG   GLU  86          2HG       GLU  86  -6.334 -13.228 -11.239
  664   2HG   GLU  86          1HG       GLU  86  -6.306 -14.528 -10.053
  665    H    ALA  87           H        ALA  87  -3.815 -13.023  -7.191
  666    HA   ALA  87           HA       ALA  87  -3.630 -10.412  -6.009
  667   1HB   ALA  87          1HB       ALA  87  -3.842 -12.622  -4.771
  668   2HB   ALA  87          2HB       ALA  87  -2.634 -11.516  -4.118
  669   3HB   ALA  87          3HB       ALA  87  -2.131 -12.884  -5.111
  670    H    GLN  88           H        GLN  88  -1.088 -12.657  -7.080
  671    HA   GLN  88           HA       GLN  88   1.097 -10.895  -6.702
  672   1HB   GLN  88          2HB       GLN  88   2.164 -12.818  -7.275
  673   2HB   GLN  88          1HB       GLN  88   0.623 -13.542  -7.616
  674   1HG   GLN  88          2HG       GLN  88   0.754 -12.899  -9.943
  675   2HG   GLN  88          1HG       GLN  88   2.198 -11.947  -9.631
  676   1HE2  GLN  88          1HE2      GLN  88   1.270 -15.301  -8.669
  677   2HE2  GLN  88          2HE2      GLN  88   2.679 -16.007  -9.269
  678    H    ALA  89           H        ALA  89  -0.931 -11.516  -9.562
  679    HA   ALA  89           HA       ALA  89   0.380  -9.707 -11.324
  680   1HB   ALA  89          1HB       ALA  89  -1.307 -11.253 -12.166
  681   2HB   ALA  89          2HB       ALA  89  -1.841  -9.605 -12.502
  682   3HB   ALA  89          3HB       ALA  89  -2.546 -10.505 -11.158
  683    H    ALA  90           H        ALA  90  -2.159  -9.200  -8.882
  684    HA   ALA  90           HA       ALA  90  -2.595  -6.415  -9.492
  685   1HB   ALA  90          1HB       ALA  90  -3.045  -8.124  -7.038
  686   2HB   ALA  90          2HB       ALA  90  -4.247  -7.397  -8.104
  687   3HB   ALA  90          3HB       ALA  90  -3.326  -6.384  -6.992
  688    H    ALA  91           H        ALA  91  -0.183  -8.196  -7.667
  689    HA   ALA  91           HA       ALA  91   0.981  -6.187  -6.091
  690   1HB   ALA  91          1HB       ALA  91   2.722  -8.018  -7.739
  691   2HB   ALA  91          2HB       ALA  91   1.716  -8.667  -6.445
  692   3HB   ALA  91          3HB       ALA  91   2.952  -7.468  -6.081
  693    H    GLU  92           H        GLU  92   1.558  -6.876  -9.554
  694    HA   GLU  92           HA       GLU  92   3.339  -4.664  -9.952
  695   1HB   GLU  92          2HB       GLU  92   1.670  -6.417 -11.731
  696   2HB   GLU  92          1HB       GLU  92   2.278  -4.909 -12.415
  697   1HG   GLU  92          2HG       GLU  92   4.530  -5.536 -12.129
  698   2HG   GLU  92          1HG       GLU  92   4.136  -6.774 -10.937
  699    H    GLN  93           H        GLN  93  -0.150  -4.942  -9.682
  700    HA   GLN  93           HA       GLN  93  -0.703  -2.301 -10.773
  701   1HB   GLN  93          2HB       GLN  93  -2.392  -4.239 -10.470
  702   2HB   GLN  93          1HB       GLN  93  -2.425  -3.804  -8.768
  703   1HG   GLN  93          2HG       GLN  93  -2.837  -1.518 -10.635
  704   2HG   GLN  93          1HG       GLN  93  -4.105  -2.735 -10.651
  705   1HE2  GLN  93          1HE2      GLN  93  -2.181  -1.823  -7.750
  706   2HE2  GLN  93          2HE2      GLN  93  -3.500  -1.185  -6.889
  707    H    LEU  94           H        LEU  94   0.005  -3.705  -7.617
  708    HA   LEU  94           HA       LEU  94  -0.458  -1.329  -6.071
  709   1HB   LEU  94          2HB       LEU  94   1.089  -3.869  -5.650
  710   2HB   LEU  94          1HB       LEU  94   1.349  -2.532  -4.538
  711    HG   LEU  94           HG       LEU  94  -1.159  -2.454  -4.184
  712   1HD1  LEU  94          1HD1      LEU  94  -1.951  -3.588  -6.160
  713   2HD1  LEU  94          2HD1      LEU  94  -2.351  -4.614  -4.781
  714   3HD1  LEU  94          3HD1      LEU  94  -0.973  -5.004  -5.793
  715   1HD2  LEU  94          1HD2      LEU  94  -1.153  -4.219  -2.578
  716   2HD2  LEU  94          2HD2      LEU  94   0.519  -3.679  -2.698
  717   3HD2  LEU  94          3HD2      LEU  94   0.013  -5.158  -3.508
  718    H    LYS  95           H        LYS  95   2.458  -2.752  -7.533
  719    HA   LYS  95           HA       LYS  95   4.353  -0.796  -6.808
  720   1HB   LYS  95          2HB       LYS  95   4.095  -2.343  -9.414
  721   2HB   LYS  95          1HB       LYS  95   5.548  -1.487  -8.883
  722   1HG   LYS  95          2HG       LYS  95   5.136  -2.996  -6.671
  723   2HG   LYS  95          1HG       LYS  95   4.353  -4.037  -7.854
  724   1HD   LYS  95          2HD       LYS  95   6.639  -4.735  -7.731
  725   2HD   LYS  95          1HD       LYS  95   6.449  -3.881  -9.260
  726   1HE   LYS  95          2HE       LYS  95   8.002  -2.324  -8.643
  727   2HE   LYS  95          1HE       LYS  95   7.187  -2.024  -7.105
  728   1HZ   LYS  95          1HZ       LYS  95   9.574  -3.179  -7.317
  729   2HZ   LYS  95          2HZ       LYS  95   8.584  -4.560  -7.318
  730   3HZ   LYS  95          3HZ       LYS  95   8.509  -3.459  -6.027
  731    H    THR  96           H        THR  96   2.207  -0.864  -9.669
  732    HA   THR  96           HA       THR  96   3.056   1.721 -10.651
  733    HB   THR  96           HB       THR  96   0.440   0.277 -11.174
  734    HG1  THR  96           1HG      THR  96   1.519  -0.721 -12.814
  735   1HG2  THR  96          1HG2      THR  96   1.930   2.518 -12.543
  736   2HG2  THR  96          2HG2      THR  96   0.251   2.486 -12.005
  737   3HG2  THR  96          3HG2      THR  96   0.746   1.533 -13.404
  738    H    THR  97           H        THR  97   0.500   0.647  -8.457
  739    HA   THR  97           HA       THR  97  -0.991   3.062  -8.350
  740    HB   THR  97           HB       THR  97  -0.459   0.898  -6.329
  741    HG1  THR  97           1HG      THR  97  -1.924   0.150  -7.657
  742   1HG2  THR  97          1HG2      THR  97  -2.044   3.430  -6.000
  743   2HG2  THR  97          2HG2      THR  97  -0.809   2.763  -4.930
  744   3HG2  THR  97          3HG2      THR  97  -2.388   1.980  -5.057
  745    H    ILE  98           H        ILE  98   1.805   1.965  -6.412
  746    HA   ILE  98           HA       ILE  98   2.155   4.162  -4.727
  747    HB   ILE  98           HB       ILE  98   4.239   2.585  -6.229
  748   1HG1  ILE  98          2HG1      ILE  98   2.423   1.404  -4.708
  749   2HG1  ILE  98          1HG1      ILE  98   4.107   0.933  -4.584
  750   1HG2  ILE  98          1HG2      ILE  98   5.322   4.489  -5.294
  751   2HG2  ILE  98          2HG2      ILE  98   5.643   3.167  -4.172
  752   3HG2  ILE  98          3HG2      ILE  98   4.406   4.363  -3.791
  753   1HD1  ILE  98          1HD1      ILE  98   2.909   3.063  -2.804
  754   2HD1  ILE  98          2HD1      ILE  98   4.413   2.173  -2.571
  755   3HD1  ILE  98          3HD1      ILE  98   2.863   1.351  -2.381
  756    H    ARG  99           H        ARG  99   2.911   3.776  -8.153
  757    HA   ARG  99           HA       ARG  99   4.493   6.090  -8.489
  758   1HB   ARG  99          2HB       ARG  99   3.797   4.251 -10.218
  759   2HB   ARG  99          1HB       ARG  99   2.398   5.277 -10.513
  760   1HG   ARG  99          2HG       ARG  99   3.670   6.512 -11.946
  761   2HG   ARG  99          1HG       ARG  99   4.633   7.049 -10.574
  762   1HD   ARG  99          2HD       ARG  99   5.145   4.698 -12.406
  763   2HD   ARG  99          1HD       ARG  99   6.182   6.095 -12.115
  764    HE   ARG  99           HE       ARG  99   5.733   4.616  -9.677
  765   1HH1  ARG  99          1HH2      ARG  99   7.410   4.658 -12.684
  766   2HH1  ARG  99          2HH2      ARG  99   8.736   3.702 -12.112
  767   1HH2  ARG  99          1HH1      ARG  99   7.450   3.362  -8.908
  768   2HH2  ARG  99          2HH1      ARG  99   8.763   2.971  -9.970
  769    H    ALA 100           H        ALA 100   0.976   5.655  -8.438
  770    HA   ALA 100           HA       ALA 100   0.283   8.397  -8.964
  771   1HB   ALA 100          1HB       ALA 100  -1.357   6.503  -7.274
  772   2HB   ALA 100          2HB       ALA 100  -1.241   6.321  -9.024
  773   3HB   ALA 100          3HB       ALA 100  -1.925   7.793  -8.334
  774    H    TYR 101           H        TYR 101   1.279   6.696  -6.056
  775    HA   TYR 101           HA       TYR 101   0.359   8.702  -4.205
  776   1HB   TYR 101          2HB       TYR 101   0.883   6.742  -3.071
  777   2HB   TYR 101          1HB       TYR 101   2.260   6.402  -4.077
  778    HD1  TYR 101           1HD      TYR 101   4.427   7.448  -3.698
  779    HD2  TYR 101           2HD      TYR 101   1.095   8.174  -1.097
  780    HE1  TYR 101           1HE      TYR 101   5.963   8.416  -2.003
  781    HE2  TYR 101           2HE      TYR 101   2.624   9.148   0.599
  782    HH   TYR 101           HH       TYR 101   4.944  10.264   0.565
  783    H    ASN 102           H        ASN 102   3.286   8.245  -6.121
  784    HA   ASN 102           HA       ASN 102   4.793  10.328  -4.889
  785   1HB   ASN 102          2HB       ASN 102   6.236   9.197  -6.227
  786   2HB   ASN 102          1HB       ASN 102   4.987   8.764  -7.392
  787   1HD2  ASN 102          1HD2      ASN 102   5.730  12.143  -6.458
  788   2HD2  ASN 102          2HD2      ASN 102   6.357  12.593  -7.967
  789    H    GLN 103           H        GLN 103   2.244  10.388  -7.337
  790    HA   GLN 103           HA       GLN 103   2.638  13.135  -8.072
  791   1HB   GLN 103          2HB       GLN 103   1.163  12.011  -9.520
  792   2HB   GLN 103          1HB       GLN 103   0.345  11.176  -8.207
  793   1HG   GLN 103          2HG       GLN 103   0.174  14.160  -8.392
  794   2HG   GLN 103          1HG       GLN 103  -0.856  13.179  -9.431
  795   1HE2  GLN 103          1HE2      GLN 103  -0.182  11.535  -6.509
  796   2HE2  GLN 103          2HE2      GLN 103  -1.606  11.931  -5.674
  797    H    LYS 104           H        LYS 104   1.437  11.416  -5.362
  798    HA   LYS 104           HA       LYS 104   0.135  13.753  -4.127
  799   1HB   LYS 104          2HB       LYS 104  -0.975  12.128  -3.005
  800   2HB   LYS 104          1HB       LYS 104   0.018  10.917  -3.773
  801   1HG   LYS 104          2HG       LYS 104   1.637  11.017  -1.980
  802   2HG   LYS 104          1HG       LYS 104   0.822  12.395  -1.265
  803   1HD   LYS 104          2HD       LYS 104  -0.533   9.731  -1.668
  804   2HD   LYS 104          1HD       LYS 104   0.323  10.169  -0.200
  805   1HE   LYS 104          2HE       LYS 104  -1.229  12.298  -0.247
  806   2HE   LYS 104          1HE       LYS 104  -2.238  11.294  -1.287
  807   1HZ   LYS 104          1HZ       LYS 104  -1.510   9.667   0.795
  808   2HZ   LYS 104          2HZ       LYS 104  -3.027  10.392   0.553
  809   3HZ   LYS 104          3HZ       LYS 104  -1.864  11.157   1.525
  810    H    TYR 105           H        TYR 105   3.225  12.011  -3.975
  811    HA   TYR 105           HA       TYR 105   4.126  13.771  -1.789
  812   1HB   TYR 105          2HB       TYR 105   5.316  11.929  -1.222
  813   2HB   TYR 105          1HB       TYR 105   4.888  11.151  -2.733
  814    HD1  TYR 105           1HD      TYR 105   6.158  12.177  -4.837
  815    HD2  TYR 105           2HD      TYR 105   7.602  12.275  -0.811
  816    HE1  TYR 105           1HE      TYR 105   8.486  12.419  -5.687
  817    HE2  TYR 105           2HE      TYR 105   9.926  12.528  -1.642
  818    HH   TYR 105           HH       TYR 105  10.614  12.730  -5.136
  819    H    GLY 106           H        GLY 106   3.661  14.218  -4.925
  820   1HA   GLY 106          2HA       GLY 106   5.663  16.363  -5.045
  821   2HA   GLY 106          1HA       GLY 106   5.892  15.089  -6.244
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1  15.098   3.826  10.859
    2   2H    ALA   1          2HT       ALA   1  15.969   5.276  10.705
    3   3H    ALA   1          3HT       ALA   1  15.362   4.496   9.323
    4    HA   ALA   1           HA       ALA   1  13.892   5.991  11.399
    5   1HB   ALA   1          1HB       ALA   1  12.837   6.926   9.269
    6   2HB   ALA   1          2HB       ALA   1  14.089   6.058   8.381
    7   3HB   ALA   1          3HB       ALA   1  14.537   7.324   9.523
    8    H    ASP   2           H        ASP   2  11.550   5.788  11.340
    9    HA   ASP   2           HA       ASP   2  10.676   3.005  10.915
   10   1HB   ASP   2          2HB       ASP   2   9.513   5.493  12.133
   11   2HB   ASP   2          1HB       ASP   2   8.445   4.142  11.751
   12    H    LEU   3           H        LEU   3  10.622   5.972   9.236
   13    HA   LEU   3           HA       LEU   3   8.231   5.310   7.649
   14   1HB   LEU   3          2HB       LEU   3  10.207   7.587   7.293
   15   2HB   LEU   3          1HB       LEU   3   8.620   7.450   6.538
   16    HG   LEU   3           HG       LEU   3   9.150   7.664   9.518
   17   1HD1  LEU   3          1HD1      LEU   3   8.058   9.872   9.267
   18   2HD1  LEU   3          2HD1      LEU   3   7.962   9.617   7.526
   19   3HD1  LEU   3          3HD1      LEU   3   9.535   9.764   8.309
   20   1HD2  LEU   3          1HD2      LEU   3   6.556   8.071   9.419
   21   2HD2  LEU   3          2HD2      LEU   3   7.158   6.418   9.366
   22   3HD2  LEU   3          3HD2      LEU   3   6.653   7.217   7.877
   23    H    GLU   4           H        GLU   4  11.707   5.836   7.030
   24    HA   GLU   4           HA       GLU   4  11.616   4.936   4.305
   25   1HB   GLU   4          2HB       GLU   4  13.978   4.707   6.189
   26   2HB   GLU   4          1HB       GLU   4  14.012   4.871   4.434
   27   1HG   GLU   4          2HG       GLU   4  12.997   6.966   6.373
   28   2HG   GLU   4          1HG       GLU   4  14.533   7.025   5.505
   29    H    ASP   5           H        ASP   5  11.689   3.444   7.408
   30    HA   ASP   5           HA       ASP   5  12.581   0.838   6.494
   31   1HB   ASP   5          2HB       ASP   5  12.880   1.292   8.792
   32   2HB   ASP   5          1HB       ASP   5  11.249   1.940   8.953
   33    H    ASN   6           H        ASN   6   9.414   2.334   7.148
   34    HA   ASN   6           HA       ASN   6   7.805   0.057   6.659
   35   1HB   ASN   6          2HB       ASN   6   6.462   1.738   7.495
   36   2HB   ASN   6          1HB       ASN   6   7.430   3.003   6.750
   37   1HD2  ASN   6          1HD2      ASN   6   7.206   2.916   4.179
   38   2HD2  ASN   6          2HD2      ASN   6   5.615   2.787   3.603
   39    H    TRP   7           H        TRP   7   9.172   2.473   4.441
   40    HA   TRP   7           HA       TRP   7   7.873   1.698   2.066
   41   1HB   TRP   7          2HB       TRP   7  10.625   2.804   2.638
   42   2HB   TRP   7          1HB       TRP   7  10.209   2.332   0.995
   43    HD1  TRP   7           HD       TRP   7   8.159   4.264   3.679
   44    HE1  TRP   7           1HE      TRP   7   7.302   6.441   2.612
   45    HE3  TRP   7           3HE      TRP   7  10.260   3.847  -0.948
   46    HZ2  TRP   7           2HZ      TRP   7   7.492   7.830   0.124
   47    HZ3  TRP   7           3HZ      TRP   7   9.909   5.613  -2.648
   48    HH2  TRP   7           HH       TRP   7   8.527   7.603  -2.121
   49    H    GLU   8           H        GLU   8  10.969   0.388   3.353
   50    HA   GLU   8           HA       GLU   8  11.224  -1.619   1.374
   51   1HB   GLU   8          2HB       GLU   8  12.966  -0.929   3.098
   52   2HB   GLU   8          1HB       GLU   8  12.054  -1.879   4.271
   53   1HG   GLU   8          2HG       GLU   8  12.225  -3.807   2.617
   54   2HG   GLU   8          1HG       GLU   8  13.444  -2.853   1.776
   55    H    THR   9           H        THR   9   9.285  -1.410   4.300
   56    HA   THR   9           HA       THR   9   8.594  -4.203   4.399
   57    HB   THR   9           HB       THR   9   6.847  -1.938   5.391
   58    HG1  THR   9           1HG      THR   9   8.933  -1.600   6.154
   59   1HG2  THR   9          1HG2      THR   9   6.207  -3.589   7.088
   60   2HG2  THR   9          2HG2      THR   9   7.327  -4.758   6.390
   61   3HG2  THR   9          3HG2      THR   9   5.919  -4.228   5.469
   62    H    LEU  10           H        LEU  10   6.791  -1.367   3.174
   63    HA   LEU  10           HA       LEU  10   4.674  -2.874   2.000
   64   1HB   LEU  10          2HB       LEU  10   5.838  -0.334   0.828
   65   2HB   LEU  10          1HB       LEU  10   4.196  -0.934   0.647
   66    HG   LEU  10           HG       LEU  10   5.490   0.308   3.081
   67   1HD1  LEU  10          1HD1      LEU  10   3.560   1.771   2.985
   68   2HD1  LEU  10          2HD1      LEU  10   2.828   0.786   1.718
   69   3HD1  LEU  10          3HD1      LEU  10   4.294   1.706   1.381
   70   1HD2  LEU  10          1HD2      LEU  10   3.316  -0.314   4.258
   71   2HD2  LEU  10          2HD2      LEU  10   4.441  -1.648   3.994
   72   3HD2  LEU  10          3HD2      LEU  10   3.035  -1.461   2.947
   73    H    ASN  11           H        ASN  11   7.898  -1.970   0.891
   74    HA   ASN  11           HA       ASN  11   7.561  -3.026  -1.783
   75   1HB   ASN  11          2HB       ASN  11   9.387  -1.394  -0.890
   76   2HB   ASN  11          1HB       ASN  11  10.236  -2.857  -0.387
   77   1HD2  ASN  11          1HD2      ASN  11   8.481  -1.675  -3.337
   78   2HD2  ASN  11          2HD2      ASN  11   9.605  -2.313  -4.438
   79    H    ASP  12           H        ASP  12   9.456  -4.334   0.966
   80    HA   ASP  12           HA       ASP  12   9.951  -6.879  -0.153
   81   1HB   ASP  12          2HB       ASP  12  11.146  -6.249   1.824
   82   2HB   ASP  12          1HB       ASP  12   9.654  -5.965   2.719
   83    H    ASN  13           H        ASN  13   6.990  -5.532   0.893
   84    HA   ASN  13           HA       ASN  13   5.671  -8.011   1.618
   85   1HB   ASN  13          2HB       ASN  13   4.993  -5.159   1.344
   86   2HB   ASN  13          1HB       ASN  13   3.725  -6.197   0.738
   87   1HD2  ASN  13          1HD2      ASN  13   3.892  -4.453   3.230
   88   2HD2  ASN  13          2HD2      ASN  13   3.469  -5.495   4.509
   89    H    LEU  14           H        LEU  14   5.518  -5.840  -1.216
   90    HA   LEU  14           HA       LEU  14   3.906  -7.451  -2.859
   91   1HB   LEU  14          2HB       LEU  14   6.120  -5.516  -3.553
   92   2HB   LEU  14          1HB       LEU  14   5.028  -6.209  -4.754
   93    HG   LEU  14           HG       LEU  14   3.827  -4.911  -2.313
   94   1HD1  LEU  14          1HD1      LEU  14   3.792  -2.740  -3.589
   95   2HD1  LEU  14          2HD1      LEU  14   4.996  -3.430  -4.675
   96   3HD1  LEU  14          3HD1      LEU  14   5.378  -3.202  -2.970
   97   1HD2  LEU  14          1HD2      LEU  14   1.990  -4.517  -3.763
   98   2HD2  LEU  14          2HD2      LEU  14   2.540  -6.140  -4.169
   99   3HD2  LEU  14          3HD2      LEU  14   2.962  -4.781  -5.208
  100    H    LYS  15           H        LYS  15   7.241  -7.865  -1.977
  101    HA   LYS  15           HA       LYS  15   7.968  -9.534  -4.225
  102   1HB   LYS  15          2HB       LYS  15   9.633  -8.456  -2.695
  103   2HB   LYS  15          1HB       LYS  15   9.108  -9.550  -1.419
  104   1HG   LYS  15          2HG       LYS  15   9.630 -11.346  -3.464
  105   2HG   LYS  15          1HG       LYS  15  10.824 -10.096  -3.794
  106   1HD   LYS  15          2HD       LYS  15  11.878 -10.375  -1.686
  107   2HD   LYS  15          1HD       LYS  15  10.504 -11.250  -1.011
  108   1HE   LYS  15          2HE       LYS  15  12.311 -12.809  -1.554
  109   2HE   LYS  15          1HE       LYS  15  10.909 -13.099  -2.583
  110   1HZ   LYS  15          1HZ       LYS  15  13.523 -12.001  -3.268
  111   2HZ   LYS  15          2HZ       LYS  15  12.177 -11.367  -4.090
  112   3HZ   LYS  15          3HZ       LYS  15  12.516 -13.032  -4.159
  113    H    VAL  16           H        VAL  16   7.189 -10.394  -0.820
  114    HA   VAL  16           HA       VAL  16   7.133 -13.171  -1.222
  115    HB   VAL  16           HB       VAL  16   5.467 -13.289   0.661
  116   1HG1  VAL  16          1HG1      VAL  16   7.033 -12.449   2.331
  117   2HG1  VAL  16          2HG1      VAL  16   7.851 -11.478   1.108
  118   3HG1  VAL  16          3HG1      VAL  16   7.908 -13.239   1.019
  119   1HG2  VAL  16          1HG2      VAL  16   4.498 -10.971  -0.048
  120   2HG2  VAL  16          2HG2      VAL  16   5.797 -10.305   0.941
  121   3HG2  VAL  16          3HG2      VAL  16   4.593 -11.363   1.665
  122    H    ILE  17           H        ILE  17   4.792 -10.816  -2.352
  123    HA   ILE  17           HA       ILE  17   2.627 -12.718  -2.673
  124    HB   ILE  17           HB       ILE  17   3.062 -10.259  -4.385
  125   1HG1  ILE  17          2HG1      ILE  17   1.974 -10.493  -1.572
  126   2HG1  ILE  17          1HG1      ILE  17   3.375  -9.577  -2.104
  127   1HG2  ILE  17          1HG2      ILE  17   1.190 -11.995  -4.811
  128   2HG2  ILE  17          2HG2      ILE  17   0.709 -10.304  -4.669
  129   3HG2  ILE  17          3HG2      ILE  17   0.483 -11.402  -3.309
  130   1HD1  ILE  17          1HD1      ILE  17   1.619  -7.973  -1.899
  131   2HD1  ILE  17          2HD1      ILE  17   0.465  -9.036  -2.705
  132   3HD1  ILE  17          3HD1      ILE  17   1.766  -8.286  -3.628
  133    H    GLU  18           H        GLU  18   4.341 -11.113  -5.363
  134    HA   GLU  18           HA       GLU  18   3.735 -12.989  -7.341
  135   1HB   GLU  18          2HB       GLU  18   6.527 -11.906  -7.420
  136   2HB   GLU  18          1HB       GLU  18   5.270 -11.871  -8.660
  137   1HG   GLU  18          2HG       GLU  18   4.057 -10.224  -7.033
  138   2HG   GLU  18          1HG       GLU  18   5.642 -10.047  -6.296
  139    H    LYS  19           H        LYS  19   6.045 -13.191  -4.762
  140    HA   LYS  19           HA       LYS  19   7.055 -15.808  -5.800
  141   1HB   LYS  19          2HB       LYS  19   8.192 -13.642  -4.135
  142   2HB   LYS  19          1HB       LYS  19   8.545 -15.254  -3.534
  143   1HG   LYS  19          2HG       LYS  19  10.317 -14.597  -5.053
  144   2HG   LYS  19          1HG       LYS  19   9.369 -15.866  -5.811
  145   1HD   LYS  19          2HD       LYS  19   9.540 -14.339  -7.569
  146   2HD   LYS  19          1HD       LYS  19   8.008 -13.851  -6.853
  147   1HE   LYS  19          2HE       LYS  19   9.496 -11.914  -7.320
  148   2HE   LYS  19          1HE       LYS  19   9.124 -12.069  -5.607
  149   1HZ   LYS  19          1HZ       LYS  19  11.583 -11.775  -6.508
  150   2HZ   LYS  19          2HZ       LYS  19  11.489 -13.469  -6.574
  151   3HZ   LYS  19          3HZ       LYS  19  11.232 -12.658  -5.104
  152    H    ALA  20           H        ALA  20   4.535 -14.796  -3.976
  153    HA   ALA  20           HA       ALA  20   4.694 -16.317  -1.571
  154   1HB   ALA  20          1HB       ALA  20   2.389 -15.423  -3.301
  155   2HB   ALA  20          2HB       ALA  20   2.766 -14.954  -1.647
  156   3HB   ALA  20          3HB       ALA  20   2.083 -16.541  -1.981
  157    H    ASP  21           H        ASP  21   3.813 -17.137  -4.856
  158    HA   ASP  21           HA       ASP  21   3.648 -19.164  -5.976
  159   1HB   ASP  21          2HB       ASP  21   5.619 -19.637  -3.834
  160   2HB   ASP  21          1HB       ASP  21   4.787 -21.108  -4.310
  161    H    ASN  22           H        ASN  22   2.343 -18.799  -2.797
  162    HA   ASN  22           HA       ASN  22   0.220 -20.734  -3.522
  163   1HB   ASN  22          2HB       ASN  22   1.268 -20.891  -0.703
  164   2HB   ASN  22          1HB       ASN  22   0.371 -22.091  -1.637
  165   1HD2  ASN  22          1HD2      ASN  22   3.409 -20.261  -2.088
  166   2HD2  ASN  22          2HD2      ASN  22   4.328 -21.607  -2.533
  167    H    ALA  23           H        ALA  23  -1.771 -20.208  -2.633
  168    HA   ALA  23           HA       ALA  23  -2.291 -17.512  -1.956
  169   1HB   ALA  23          1HB       ALA  23  -4.125 -19.653  -0.914
  170   2HB   ALA  23          2HB       ALA  23  -3.883 -19.536  -2.656
  171   3HB   ALA  23          3HB       ALA  23  -4.516 -18.156  -1.761
  172    H    ALA  24           H        ALA  24  -0.994 -20.013   0.002
  173    HA   ALA  24           HA       ALA  24  -1.976 -19.160   2.565
  174   1HB   ALA  24          1HB       ALA  24   0.469 -20.709   1.705
  175   2HB   ALA  24          2HB       ALA  24  -1.000 -21.327   2.460
  176   3HB   ALA  24          3HB       ALA  24   0.131 -20.354   3.400
  177    H    GLN  25           H        GLN  25   1.174 -18.595   0.997
  178    HA   GLN  25           HA       GLN  25   2.062 -16.685   2.924
  179   1HB   GLN  25          2HB       GLN  25   3.072 -16.743   0.093
  180   2HB   GLN  25          1HB       GLN  25   3.962 -16.493   1.588
  181   1HG   GLN  25          2HG       GLN  25   3.165 -18.960   2.135
  182   2HG   GLN  25          1HG       GLN  25   2.957 -19.065   0.383
  183   1HE2  GLN  25          1HE2      GLN  25   4.961 -18.374  -0.919
  184   2HE2  GLN  25          2HE2      GLN  25   6.483 -18.778  -0.284
  185    H    VAL  26           H        VAL  26  -0.072 -16.411   0.213
  186    HA   VAL  26           HA       VAL  26   0.400 -13.594  -0.298
  187    HB   VAL  26           HB       VAL  26  -2.132 -15.173  -0.853
  188   1HG1  VAL  26          1HG1      VAL  26  -1.164 -12.742  -2.367
  189   2HG1  VAL  26          2HG1      VAL  26  -2.108 -12.540  -0.901
  190   3HG1  VAL  26          3HG1      VAL  26  -2.791 -13.405  -2.270
  191   1HG2  VAL  26          1HG2      VAL  26  -1.180 -15.290  -3.181
  192   2HG2  VAL  26          2HG2      VAL  26  -0.258 -16.209  -2.004
  193   3HG2  VAL  26          3HG2      VAL  26   0.328 -14.644  -2.544
  194    H    LYS  27           H        LYS  27  -2.064 -15.356   1.682
  195    HA   LYS  27           HA       LYS  27  -3.433 -13.052   2.606
  196   1HB   LYS  27          2HB       LYS  27  -2.656 -15.531   4.153
  197   2HB   LYS  27          1HB       LYS  27  -3.846 -14.362   4.699
  198   1HG   LYS  27          2HG       LYS  27  -5.491 -15.293   3.414
  199   2HG   LYS  27          1HG       LYS  27  -4.463 -15.334   1.989
  200   1HD   LYS  27          2HD       LYS  27  -5.078 -17.620   2.613
  201   2HD   LYS  27          1HD       LYS  27  -3.353 -17.365   2.866
  202   1HE   LYS  27          2HE       LYS  27  -3.564 -17.289   5.194
  203   2HE   LYS  27          1HE       LYS  27  -5.286 -16.917   5.128
  204   1HZ   LYS  27          1HZ       LYS  27  -5.766 -19.116   4.438
  205   2HZ   LYS  27          2HZ       LYS  27  -4.721 -19.244   5.771
  206   3HZ   LYS  27          3HZ       LYS  27  -4.127 -19.481   4.197
  207    H    ASP  28           H        ASP  28  -0.809 -14.867   4.056
  208    HA   ASP  28           HA       ASP  28  -0.103 -13.184   6.169
  209   1HB   ASP  28          2HB       ASP  28   1.750 -14.780   4.370
  210   2HB   ASP  28          1HB       ASP  28   2.127 -14.235   6.001
  211    H    ALA  29           H        ALA  29   0.710 -12.931   2.737
  212    HA   ALA  29           HA       ALA  29   2.691 -10.882   3.072
  213   1HB   ALA  29          1HB       ALA  29   2.541 -12.222   1.011
  214   2HB   ALA  29          2HB       ALA  29   2.397 -10.498   0.667
  215   3HB   ALA  29          3HB       ALA  29   0.962 -11.514   0.668
  216    H    LEU  30           H        LEU  30  -0.495 -10.524   1.511
  217    HA   LEU  30           HA       LEU  30  -0.584  -7.709   1.740
  218   1HB   LEU  30          2HB       LEU  30  -2.824  -9.740   1.606
  219   2HB   LEU  30          1HB       LEU  30  -3.074  -8.006   1.444
  220    HG   LEU  30           HG       LEU  30  -1.281  -9.683  -0.337
  221   1HD1  LEU  30          1HD1      LEU  30  -3.068  -9.183  -2.046
  222   2HD1  LEU  30          2HD1      LEU  30  -4.066  -8.555  -0.734
  223   3HD1  LEU  30          3HD1      LEU  30  -3.591 -10.252  -0.745
  224   1HD2  LEU  30          1HD2      LEU  30  -1.653  -7.443  -1.753
  225   2HD2  LEU  30          2HD2      LEU  30  -0.373  -7.548  -0.552
  226   3HD2  LEU  30          3HD2      LEU  30  -1.889  -6.741  -0.151
  227    H    THR  31           H        THR  31  -1.060 -10.135   4.142
  228    HA   THR  31           HA       THR  31  -2.710  -8.662   5.982
  229    HB   THR  31           HB       THR  31  -0.543 -10.737   6.455
  230    HG1  THR  31           1HG      THR  31  -2.097 -12.132   6.148
  231   1HG2  THR  31          1HG2      THR  31  -2.548  -9.456   8.322
  232   2HG2  THR  31          2HG2      THR  31  -0.800  -9.584   8.520
  233   3HG2  THR  31          3HG2      THR  31  -1.812 -11.021   8.666
  234    H    LYS  32           H        LYS  32   0.762  -8.881   5.424
  235    HA   LYS  32           HA       LYS  32   1.487  -7.116   7.596
  236   1HB   LYS  32          2HB       LYS  32   2.854  -8.435   5.285
  237   2HB   LYS  32          1HB       LYS  32   3.692  -7.096   6.078
  238   1HG   LYS  32          2HG       LYS  32   3.646  -8.232   8.199
  239   2HG   LYS  32          1HG       LYS  32   2.547  -9.467   7.581
  240   1HD   LYS  32          2HD       LYS  32   4.238 -10.391   6.159
  241   2HD   LYS  32          1HD       LYS  32   5.309  -9.016   6.429
  242   1HE   LYS  32          2HE       LYS  32   5.823  -9.683   8.623
  243   2HE   LYS  32          1HE       LYS  32   4.396 -10.713   8.749
  244   1HZ   LYS  32          1HZ       LYS  32   5.420 -12.102   6.959
  245   2HZ   LYS  32          2HZ       LYS  32   6.245 -12.124   8.444
  246   3HZ   LYS  32          3HZ       LYS  32   6.844 -11.200   7.149
  247    H    MET  33           H        MET  33   0.724  -6.680   4.170
  248    HA   MET  33           HA       MET  33   1.701  -3.969   3.929
  249   1HB   MET  33          2HB       MET  33  -0.481  -5.500   2.500
  250   2HB   MET  33          1HB       MET  33  -0.037  -3.852   2.057
  251   1HG   MET  33          2HG       MET  33   2.353  -4.703   1.832
  252   2HG   MET  33          1HG       MET  33   1.676  -6.329   1.924
  253   1HE   MET  33          1HE       MET  33   2.907  -3.720  -0.296
  254   2HE   MET  33          2HE       MET  33   1.433  -2.869   0.160
  255   3HE   MET  33          3HE       MET  33   1.668  -3.377  -1.511
  256    H    ARG  34           H        ARG  34  -1.645  -5.068   3.966
  257    HA   ARG  34           HA       ARG  34  -2.924  -2.687   4.572
  258   1HB   ARG  34          2HB       ARG  34  -3.932  -5.022   4.145
  259   2HB   ARG  34          1HB       ARG  34  -3.726  -5.310   5.865
  260   1HG   ARG  34          2HG       ARG  34  -5.460  -3.912   6.462
  261   2HG   ARG  34          1HG       ARG  34  -5.103  -2.744   5.204
  262   1HD   ARG  34          2HD       ARG  34  -6.036  -4.596   3.578
  263   2HD   ARG  34          1HD       ARG  34  -6.775  -5.239   5.037
  264    HE   ARG  34           HE       ARG  34  -7.512  -2.769   3.669
  265   1HH1  ARG  34          1HH2      ARG  34  -7.483  -4.588   6.594
  266   2HH1  ARG  34          2HH2      ARG  34  -8.893  -3.822   7.246
  267   1HH2  ARG  34          1HH1      ARG  34  -9.380  -1.761   4.505
  268   2HH2  ARG  34          2HH1      ARG  34  -9.958  -2.221   6.070
  269    H    ALA  35           H        ALA  35  -1.060  -4.753   6.667
  270    HA   ALA  35           HA       ALA  35  -1.898  -3.478   9.151
  271   1HB   ALA  35          1HB       ALA  35  -1.016  -5.693   9.331
  272   2HB   ALA  35          2HB       ALA  35   0.178  -4.622  10.066
  273   3HB   ALA  35          3HB       ALA  35   0.439  -5.250   8.441
  274    H    ALA  36           H        ALA  36   1.326  -3.438   7.527
  275    HA   ALA  36           HA       ALA  36   2.221  -1.155   9.002
  276   1HB   ALA  36          1HB       ALA  36   3.978  -0.978   7.260
  277   2HB   ALA  36          2HB       ALA  36   3.092  -2.130   6.260
  278   3HB   ALA  36          3HB       ALA  36   3.779  -2.645   7.801
  279    H    ALA  37           H        ALA  37   0.390  -1.457   6.005
  280    HA   ALA  37           HA       ALA  37   0.635   1.247   5.132
  281   1HB   ALA  37          1HB       ALA  37  -0.361  -0.265   3.597
  282   2HB   ALA  37          2HB       ALA  37  -1.687   0.780   4.107
  283   3HB   ALA  37          3HB       ALA  37  -1.525  -0.835   4.794
  284    H    LEU  38           H        LEU  38  -1.519  -0.312   7.479
  285    HA   LEU  38           HA       LEU  38  -3.154   2.001   7.953
  286   1HB   LEU  38          2HB       LEU  38  -2.609  -0.570   9.412
  287   2HB   LEU  38          1HB       LEU  38  -3.363   0.731  10.328
  288    HG   LEU  38           HG       LEU  38  -4.478  -0.044   7.632
  289   1HD1  LEU  38          1HD1      LEU  38  -4.431  -2.166   8.771
  290   2HD1  LEU  38          2HD1      LEU  38  -6.071  -1.546   8.939
  291   3HD1  LEU  38          3HD1      LEU  38  -4.942  -1.430  10.288
  292   1HD2  LEU  38          1HD2      LEU  38  -5.199   2.022   9.026
  293   2HD2  LEU  38          2HD2      LEU  38  -5.922   0.865  10.137
  294   3HD2  LEU  38          3HD2      LEU  38  -6.481   0.950   8.468
  295    H    ASP  39           H        ASP  39   0.036   1.036   9.030
  296    HA   ASP  39           HA       ASP  39   0.087   3.035  11.192
  297   1HB   ASP  39          2HB       ASP  39   1.350   0.873  11.330
  298   2HB   ASP  39          1HB       ASP  39   2.379   1.438  10.012
  299    H    ALA  40           H        ALA  40   1.357   2.722   7.889
  300    HA   ALA  40           HA       ALA  40   3.023   5.029   7.926
  301   1HB   ALA  40          1HB       ALA  40   1.578   3.550   5.733
  302   2HB   ALA  40          2HB       ALA  40   3.309   3.709   6.010
  303   3HB   ALA  40          3HB       ALA  40   2.395   5.072   5.373
  304    H    GLN  41           H        GLN  41  -0.188   4.904   6.361
  305    HA   GLN  41           HA       GLN  41  -1.323   6.977   5.698
  306   1HB   GLN  41          2HB       GLN  41  -2.444   5.414   7.465
  307   2HB   GLN  41          1HB       GLN  41  -2.092   6.705   8.604
  308   1HG   GLN  41          2HG       GLN  41  -3.764   6.886   6.100
  309   2HG   GLN  41          1HG       GLN  41  -4.317   7.094   7.754
  310   1HE2  GLN  41          1HE2      GLN  41  -3.130   8.977   8.947
  311   2HE2  GLN  41          2HE2      GLN  41  -2.788  10.374   8.053
  312    H    LYS  42           H        LYS  42  -0.706   7.629   9.093
  313    HA   LYS  42           HA       LYS  42  -0.471  10.427   8.869
  314   1HB   LYS  42          2HB       LYS  42   1.134   8.920  10.935
  315   2HB   LYS  42          1HB       LYS  42   0.245  10.437  11.097
  316   1HG   LYS  42          2HG       LYS  42  -1.142   7.773  10.682
  317   2HG   LYS  42          1HG       LYS  42  -0.769   8.422  12.268
  318   1HD   LYS  42          2HD       LYS  42  -2.166  10.306  11.960
  319   2HD   LYS  42          1HD       LYS  42  -2.292  10.023  10.231
  320   1HE   LYS  42          2HE       LYS  42  -3.482   7.876  10.704
  321   2HE   LYS  42          1HE       LYS  42  -3.444   8.280  12.420
  322   1HZ   LYS  42          1HZ       LYS  42  -5.405   9.234  11.954
  323   2HZ   LYS  42          2HZ       LYS  42  -5.076   9.378  10.292
  324   3HZ   LYS  42          3HZ       LYS  42  -4.455  10.519  11.387
  325    H    ALA  43           H        ALA  43   1.476   8.529   7.150
  326    HA   ALA  43           HA       ALA  43   4.105   9.448   7.947
  327   1HB   ALA  43          1HB       ALA  43   4.891   8.339   5.959
  328   2HB   ALA  43          2HB       ALA  43   3.274   8.343   5.255
  329   3HB   ALA  43          3HB       ALA  43   3.623   7.330   6.655
  330    H    THR  44           H        THR  44   5.395  11.016   6.931
  331    HA   THR  44           HA       THR  44   4.271  12.673   4.770
  332    HB   THR  44           HB       THR  44   4.938  14.728   6.427
  333    HG1  THR  44           1HG      THR  44   3.863  12.706   8.098
  334   1HG2  THR  44          1HG2      THR  44   2.767  14.410   5.232
  335   2HG2  THR  44          2HG2      THR  44   2.564  15.035   6.869
  336   3HG2  THR  44          3HG2      THR  44   2.244  13.337   6.532
  337    HA   PRO  45           HA       PRO  45   8.854  11.781   4.713
  338   1HB   PRO  45          2HB       PRO  45   8.252  12.139   1.805
  339   2HB   PRO  45          1HB       PRO  45   9.236  10.911   2.613
  340   1HG   PRO  45          2HG       PRO  45   6.773  10.362   1.697
  341   2HG   PRO  45          1HG       PRO  45   7.428   9.612   3.158
  342   1HD   PRO  45          2HD       PRO  45   5.341  11.731   2.924
  343   2HD   PRO  45          1HD       PRO  45   5.562  10.500   4.181
  344    HA   PRO  46           HA       PRO  46   9.470  16.066   2.870
  345   1HB   PRO  46          2HB       PRO  46   7.489  17.479   1.718
  346   2HB   PRO  46          1HB       PRO  46   8.271  16.130   0.871
  347   1HG   PRO  46          2HG       PRO  46   5.585  16.271   2.113
  348   2HG   PRO  46          1HG       PRO  46   6.154  15.277   0.762
  349   1HD   PRO  46          2HD       PRO  46   5.874  14.485   3.512
  350   2HD   PRO  46          1HD       PRO  46   6.510  13.519   2.181
  351    H    LYS  47           H        LYS  47   6.315  17.464   3.263
  352    HA   LYS  47           HA       LYS  47   6.322  17.862   6.088
  353   1HB   LYS  47          2HB       LYS  47   6.940  20.429   5.847
  354   2HB   LYS  47          1HB       LYS  47   8.209  19.231   6.049
  355   1HG   LYS  47          2HG       LYS  47   8.844  19.306   3.794
  356   2HG   LYS  47          1HG       LYS  47   7.287  19.949   3.276
  357   1HD   LYS  47          2HD       LYS  47   9.073  21.672   3.206
  358   2HD   LYS  47          1HD       LYS  47   7.803  22.097   4.351
  359   1HE   LYS  47          2HE       LYS  47  10.252  20.589   5.264
  360   2HE   LYS  47          1HE       LYS  47  10.277  22.343   5.111
  361   1HZ   LYS  47          1HZ       LYS  47   8.782  20.664   6.976
  362   2HZ   LYS  47          2HZ       LYS  47   8.043  22.100   6.448
  363   3HZ   LYS  47          3HZ       LYS  47   9.548  22.154   7.237
  364    H    LEU  48           H        LEU  48   4.089  17.795   6.064
  365    HA   LEU  48           HA       LEU  48   2.582  19.454   4.148
  366   1HB   LEU  48          2HB       LEU  48   2.019  17.169   5.860
  367   2HB   LEU  48          1HB       LEU  48   0.845  18.435   6.201
  368    HG   LEU  48           HG       LEU  48   1.474  17.602   3.358
  369   1HD1  LEU  48          1HD1      LEU  48   0.761  15.549   4.315
  370   2HD1  LEU  48          2HD1      LEU  48  -0.697  16.240   3.602
  371   3HD1  LEU  48          3HD1      LEU  48  -0.428  16.348   5.343
  372   1HD2  LEU  48          1HD2      LEU  48   0.257  19.740   3.791
  373   2HD2  LEU  48          2HD2      LEU  48  -0.977  18.831   4.664
  374   3HD2  LEU  48          3HD2      LEU  48  -0.742  18.562   2.938
  375    H    GLU  49           H        GLU  49   0.602  20.645   5.566
  376    HA   GLU  49           HA       GLU  49   0.243  22.628   6.784
  377   1HB   GLU  49          2HB       GLU  49   2.180  21.282   8.698
  378   2HB   GLU  49          1HB       GLU  49   1.057  22.581   9.104
  379   1HG   GLU  49          2HG       GLU  49   0.139  19.937   7.959
  380   2HG   GLU  49          1HG       GLU  49   0.281  20.221   9.693
  381    H    ASP  50           H        ASP  50   2.638  22.252   4.964
  382    HA   ASP  50           HA       ASP  50   4.005  24.786   5.698
  383   1HB   ASP  50          2HB       ASP  50   5.377  22.130   5.185
  384   2HB   ASP  50          1HB       ASP  50   6.201  23.676   4.968
  385    H    LYS  51           H        LYS  51   4.166  22.176   3.260
  386    HA   LYS  51           HA       LYS  51   4.607  24.029   1.103
  387   1HB   LYS  51          2HB       LYS  51   4.288  22.113  -0.340
  388   2HB   LYS  51          1HB       LYS  51   5.219  21.605   1.050
  389   1HG   LYS  51          2HG       LYS  51   3.459  20.389   1.995
  390   2HG   LYS  51          1HG       LYS  51   2.222  21.297   1.153
  391   1HD   LYS  51          2HD       LYS  51   2.169  19.308  -0.046
  392   2HD   LYS  51          1HD       LYS  51   3.315  20.222  -1.018
  393   1HE   LYS  51          2HE       LYS  51   4.273  18.047  -0.651
  394   2HE   LYS  51          1HE       LYS  51   5.165  19.176   0.371
  395   1HZ   LYS  51          1HZ       LYS  51   3.608  16.935   1.128
  396   2HZ   LYS  51          2HZ       LYS  51   2.998  18.341   1.861
  397   3HZ   LYS  51          3HZ       LYS  51   4.624  17.900   2.082
  398    H    SER  52           H        SER  52   2.403  22.800  -0.624
  399    HA   SER  52           HA       SER  52   0.381  24.783   0.024
  400   1HB   SER  52          2HB       SER  52   0.958  24.142  -2.326
  401   2HB   SER  52          1HB       SER  52   0.283  22.545  -2.020
  402    HG   SER  52           HG       SER  52  -0.982  25.036  -2.233
  403    HA   PRO  53           HA       PRO  53  -1.810  21.771   2.607
  404   1HB   PRO  53          2HB       PRO  53  -3.904  23.256   3.362
  405   2HB   PRO  53          1HB       PRO  53  -2.260  23.718   3.866
  406   1HG   PRO  53          2HG       PRO  53  -3.867  24.742   1.542
  407   2HG   PRO  53          1HG       PRO  53  -3.045  25.672   2.821
  408   1HD   PRO  53          2HD       PRO  53  -1.892  25.238   0.393
  409   2HD   PRO  53          1HD       PRO  53  -0.927  25.324   1.886
  410    H    ASP  54           H        ASP  54  -2.923  23.108  -0.322
  411    HA   ASP  54           HA       ASP  54  -4.428  22.340  -1.912
  412   1HB   ASP  54          2HB       ASP  54  -5.091  19.969  -0.175
  413   2HB   ASP  54          1HB       ASP  54  -5.041  20.074  -1.933
  414    H    SER  55           H        SER  55  -6.764  20.594  -0.476
  415    HA   SER  55           HA       SER  55  -8.103  22.634   1.061
  416   1HB   SER  55          2HB       SER  55  -8.260  23.612  -1.220
  417   2HB   SER  55          1HB       SER  55  -9.138  22.181  -1.749
  418    HG   SER  55           HG       SER  55 -10.056  24.347  -0.485
  419    HA   PRO  56           HA       PRO  56 -10.994  18.715   0.078
  420   1HB   PRO  56          2HB       PRO  56  -8.677  16.814   0.238
  421   2HB   PRO  56          1HB       PRO  56 -10.194  16.659  -0.674
  422   1HG   PRO  56          2HG       PRO  56  -8.009  17.322  -1.953
  423   2HG   PRO  56          1HG       PRO  56  -9.502  18.224  -2.288
  424   1HD   PRO  56          2HD       PRO  56  -7.173  19.022  -0.558
  425   2HD   PRO  56          1HD       PRO  56  -8.057  20.006  -1.753
  426    H    GLU  57           H        GLU  57 -10.186  20.142   2.410
  427    HA   GLU  57           HA       GLU  57  -9.981  19.912   4.751
  428   1HB   GLU  57          2HB       GLU  57 -11.579  17.410   4.103
  429   2HB   GLU  57          1HB       GLU  57 -11.444  18.151   5.697
  430   1HG   GLU  57          2HG       GLU  57 -12.614  20.109   4.994
  431   2HG   GLU  57          1HG       GLU  57 -12.473  19.667   3.292
  432    H    MET  58           H        MET  58  -7.967  18.693   2.967
  433    HA   MET  58           HA       MET  58  -6.042  17.431   3.140
  434   1HB   MET  58          2HB       MET  58  -6.893  17.003   6.022
  435   2HB   MET  58          1HB       MET  58  -5.312  16.723   5.332
  436   1HG   MET  58          2HG       MET  58  -4.794  18.956   5.188
  437   2HG   MET  58          1HG       MET  58  -6.472  19.464   4.973
  438   1HE   MET  58          1HE       MET  58  -7.280  21.097   6.943
  439   2HE   MET  58          2HE       MET  58  -7.889  20.102   8.265
  440   3HE   MET  58          3HE       MET  58  -8.160  19.601   6.599
  441    H    LYS  59           H        LYS  59  -9.132  16.314   3.581
  442    HA   LYS  59           HA       LYS  59  -9.024  13.593   4.152
  443   1HB   LYS  59          2HB       LYS  59 -11.045  15.025   3.604
  444   2HB   LYS  59          1HB       LYS  59 -10.596  14.873   1.901
  445   1HG   LYS  59          2HG       LYS  59 -10.760  12.276   3.369
  446   2HG   LYS  59          1HG       LYS  59 -12.293  13.132   3.230
  447   1HD   LYS  59          2HD       LYS  59 -12.102  13.229   0.823
  448   2HD   LYS  59          1HD       LYS  59 -10.467  12.576   0.879
  449   1HE   LYS  59          2HE       LYS  59 -12.146  10.838   0.289
  450   2HE   LYS  59          1HE       LYS  59 -11.306  10.466   1.795
  451   1HZ   LYS  59          1HZ       LYS  59 -13.814  10.235   1.790
  452   2HZ   LYS  59          2HZ       LYS  59 -13.874  11.933   1.758
  453   3HZ   LYS  59          3HZ       LYS  59 -13.136  11.130   3.061
  454    H    ASP  60           H        ASP  60  -8.512  15.187   1.009
  455    HA   ASP  60           HA       ASP  60  -8.147  12.898  -0.558
  456   1HB   ASP  60          2HB       ASP  60  -8.256  15.032  -1.601
  457   2HB   ASP  60          1HB       ASP  60  -6.875  15.641  -0.692
  458    H    PHE  61           H        PHE  61  -6.178  14.073   2.005
  459    HA   PHE  61           HA       PHE  61  -3.702  12.797   1.164
  460   1HB   PHE  61          2HB       PHE  61  -4.001  14.713   2.911
  461   2HB   PHE  61          1HB       PHE  61  -4.411  13.422   4.041
  462    HD1  PHE  61           1HD      PHE  61  -1.815  14.582   1.666
  463    HD2  PHE  61           2HD      PHE  61  -2.692  12.073   5.026
  464    HE1  PHE  61           1HE      PHE  61   0.609  14.107   1.933
  465    HE2  PHE  61           2HE      PHE  61  -0.272  11.588   5.299
  466    HZ   PHE  61           HZ       PHE  61   1.383  12.603   3.743
  467    H    ARG  62           H        ARG  62  -5.786  12.072   3.967
  468    HA   ARG  62           HA       ARG  62  -4.820   9.440   4.359
  469   1HB   ARG  62          2HB       ARG  62  -7.273   9.222   5.440
  470   2HB   ARG  62          1HB       ARG  62  -6.010  10.141   6.216
  471   1HG   ARG  62          2HG       ARG  62  -7.684  11.593   4.227
  472   2HG   ARG  62          1HG       ARG  62  -8.443  11.164   5.726
  473   1HD   ARG  62          2HD       ARG  62  -6.790  13.415   5.250
  474   2HD   ARG  62          1HD       ARG  62  -7.478  12.926   6.767
  475    HE   ARG  62           HE       ARG  62  -4.705  12.322   5.876
  476   1HH1  ARG  62          1HH2      ARG  62  -7.210  12.144   8.274
  477   2HH1  ARG  62          2HH2      ARG  62  -6.111  11.824   9.568
  478   1HH2  ARG  62          1HH1      ARG  62  -3.286  11.905   7.574
  479   2HH2  ARG  62          2HH1      ARG  62  -3.905  11.694   9.178
  480    H    HIS  63           H        HIS  63  -7.169  10.724   2.157
  481    HA   HIS  63           HA       HIS  63  -8.554   8.306   1.466
  482   1HB   HIS  63          2HB       HIS  63  -8.926  10.842   0.725
  483   2HB   HIS  63          1HB       HIS  63  -7.923  10.376  -0.643
  484    HD1  HIS  63           1HD      HIS  63 -10.415   8.150   1.119
  485    HD2  HIS  63           2HD      HIS  63  -9.962  10.069  -2.552
  486    HE1  HIS  63           1HE      HIS  63 -12.275   7.309  -0.354
  487    H    GLY  64           H        GLY  64  -5.582   9.780   0.110
  488   1HA   GLY  64          2HA       GLY  64  -5.180   7.777  -1.872
  489   2HA   GLY  64          1HA       GLY  64  -3.899   8.756  -1.164
  490    H    PHE  65           H        PHE  65  -4.457   7.837   1.589
  491    HA   PHE  65           HA       PHE  65  -2.949   5.308   1.449
  492   1HB   PHE  65          2HB       PHE  65  -4.008   6.938   3.776
  493   2HB   PHE  65          1HB       PHE  65  -3.115   5.431   3.970
  494    HD1  PHE  65           1HD      PHE  65  -2.922   8.959   3.082
  495    HD2  PHE  65           2HD      PHE  65  -0.731   5.282   3.299
  496    HE1  PHE  65           1HE      PHE  65  -0.808  10.220   2.893
  497    HE2  PHE  65           2HE      PHE  65   1.398   6.542   3.106
  498    HZ   PHE  65           HZ       PHE  65   1.359   9.017   2.907
  499    H    ASP  66           H        ASP  66  -6.165   6.428   2.467
  500    HA   ASP  66           HA       ASP  66  -7.098   3.815   3.275
  501   1HB   ASP  66          2HB       ASP  66  -8.131   6.040   3.945
  502   2HB   ASP  66          1HB       ASP  66  -8.799   6.134   2.316
  503    H    ILE  67           H        ILE  67  -7.463   5.764   0.307
  504    HA   ILE  67           HA       ILE  67  -9.033   3.939  -1.171
  505    HB   ILE  67           HB       ILE  67  -6.874   5.896  -2.031
  506   1HG1  ILE  67          2HG1      ILE  67  -9.018   6.805  -1.105
  507   2HG1  ILE  67          1HG1      ILE  67  -8.773   7.238  -2.791
  508   1HG2  ILE  67          1HG2      ILE  67  -7.963   5.558  -4.356
  509   2HG2  ILE  67          2HG2      ILE  67  -8.541   4.023  -3.708
  510   3HG2  ILE  67          3HG2      ILE  67  -6.810   4.345  -3.801
  511   1HD1  ILE  67          1HD1      ILE  67 -10.211   4.839  -2.950
  512   2HD1  ILE  67          2HD1      ILE  67 -10.870   6.459  -3.128
  513   3HD1  ILE  67          3HD1      ILE  67 -10.910   5.663  -1.559
  514    H    LEU  68           H        LEU  68  -5.497   4.170  -0.842
  515    HA   LEU  68           HA       LEU  68  -4.818   1.929  -2.472
  516   1HB   LEU  68          2HB       LEU  68  -3.046   3.390  -1.876
  517   2HB   LEU  68          1HB       LEU  68  -3.470   3.350  -0.170
  518    HG   LEU  68           HG       LEU  68  -2.665   1.049   0.019
  519   1HD1  LEU  68          1HD1      LEU  68  -2.365   1.308  -2.971
  520   2HD1  LEU  68          2HD1      LEU  68  -3.152   0.025  -2.065
  521   3HD1  LEU  68          3HD1      LEU  68  -1.397   0.148  -2.070
  522   1HD2  LEU  68          1HD2      LEU  68  -0.670   2.741  -1.510
  523   2HD2  LEU  68          2HD2      LEU  68  -0.297   1.465  -0.352
  524   3HD2  LEU  68          3HD2      LEU  68  -1.060   2.958   0.197
  525    H    VAL  69           H        VAL  69  -5.402   2.161   1.041
  526    HA   VAL  69           HA       VAL  69  -4.969  -0.580   1.632
  527    HB   VAL  69           HB       VAL  69  -6.673   1.537   2.948
  528   1HG1  VAL  69          1HG1      VAL  69  -7.658  -0.442   3.706
  529   2HG1  VAL  69          2HG1      VAL  69  -6.465  -0.083   4.952
  530   3HG1  VAL  69          3HG1      VAL  69  -6.127  -1.306   3.730
  531   1HG2  VAL  69          1HG2      VAL  69  -4.836   1.910   4.371
  532   2HG2  VAL  69          2HG2      VAL  69  -4.049   1.624   2.821
  533   3HG2  VAL  69          3HG2      VAL  69  -4.121   0.336   4.019
  534    H    GLY  70           H        GLY  70  -7.646   1.041   0.105
  535   1HA   GLY  70          2HA       GLY  70  -9.600  -1.017   0.738
  536   2HA   GLY  70          1HA       GLY  70  -9.806   0.266  -0.448
  537    H    GLN  71           H        GLN  71  -7.764  -0.205  -2.263
  538    HA   GLN  71           HA       GLN  71  -8.805  -2.519  -3.636
  539   1HB   GLN  71          2HB       GLN  71  -7.461  -1.892  -5.432
  540   2HB   GLN  71          1HB       GLN  71  -7.636  -0.359  -4.590
  541   1HG   GLN  71          2HG       GLN  71  -5.334  -0.446  -4.973
  542   2HG   GLN  71          1HG       GLN  71  -5.452  -1.077  -3.338
  543   1HE2  GLN  71          1HE2      GLN  71  -6.778  -3.530  -4.994
  544   2HE2  GLN  71          2HE2      GLN  71  -5.398  -4.438  -5.378
  545    H    ILE  72           H        ILE  72  -6.209  -1.967  -1.407
  546    HA   ILE  72           HA       ILE  72  -4.961  -4.573  -1.864
  547    HB   ILE  72           HB       ILE  72  -4.661  -2.346   0.143
  548   1HG1  ILE  72          2HG1      ILE  72  -2.580  -4.018  -1.273
  549   2HG1  ILE  72          1HG1      ILE  72  -3.322  -2.598  -2.008
  550   1HG2  ILE  72          1HG2      ILE  72  -3.836  -5.219   0.610
  551   2HG2  ILE  72          2HG2      ILE  72  -4.735  -4.156   1.690
  552   3HG2  ILE  72          3HG2      ILE  72  -3.023  -3.868   1.402
  553   1HD1  ILE  72          1HD1      ILE  72  -1.696  -2.692   0.548
  554   2HD1  ILE  72          2HD1      ILE  72  -2.580  -1.270  -0.001
  555   3HD1  ILE  72          3HD1      ILE  72  -1.247  -1.906  -0.965
  556    H    ASP  73           H        ASP  73  -7.497  -3.173   0.137
  557    HA   ASP  73           HA       ASP  73  -7.827  -5.320   1.986
  558   1HB   ASP  73          2HB       ASP  73  -8.961  -3.102   2.190
  559   2HB   ASP  73          1HB       ASP  73 -10.020  -3.555   0.855
  560    H    ASP  74           H        ASP  74  -9.575  -4.699  -1.074
  561    HA   ASP  74           HA       ASP  74 -11.024  -7.172  -1.065
  562   1HB   ASP  74          2HB       ASP  74 -10.258  -5.227  -3.254
  563   2HB   ASP  74          1HB       ASP  74 -11.181  -6.691  -3.596
  564    H    ALA  75           H        ALA  75  -7.776  -6.337  -2.211
  565    HA   ALA  75           HA       ALA  75  -7.462  -8.815  -3.671
  566   1HB   ALA  75          1HB       ALA  75  -4.922  -8.199  -3.287
  567   2HB   ALA  75          2HB       ALA  75  -5.578  -6.674  -2.692
  568   3HB   ALA  75          3HB       ALA  75  -5.904  -7.187  -4.347
  569    H    LEU  76           H        LEU  76  -7.013  -7.768  -0.344
  570    HA   LEU  76           HA       LEU  76  -5.510  -9.956   0.619
  571   1HB   LEU  76          2HB       LEU  76  -6.755  -7.707   1.680
  572   2HB   LEU  76          1HB       LEU  76  -7.742  -8.987   2.345
  573    HG   LEU  76           HG       LEU  76  -4.882  -9.627   2.645
  574   1HD1  LEU  76          1HD1      LEU  76  -4.793  -7.088   2.695
  575   2HD1  LEU  76          2HD1      LEU  76  -4.198  -7.901   4.141
  576   3HD1  LEU  76          3HD1      LEU  76  -5.804  -7.172   4.138
  577   1HD2  LEU  76          1HD2      LEU  76  -6.727 -10.691   3.909
  578   2HD2  LEU  76          2HD2      LEU  76  -7.075  -9.142   4.677
  579   3HD2  LEU  76          3HD2      LEU  76  -5.538  -9.951   4.982
  580    H    LYS  77           H        LYS  77  -8.866  -9.539  -0.245
  581    HA   LYS  77           HA       LYS  77  -9.899 -11.990   0.793
  582   1HB   LYS  77          2HB       LYS  77 -11.167  -9.903  -0.042
  583   2HB   LYS  77          1HB       LYS  77 -10.881 -10.528  -1.671
  584   1HG   LYS  77          2HG       LYS  77 -12.964 -11.453  -1.138
  585   2HG   LYS  77          1HG       LYS  77 -11.835 -12.746  -0.743
  586   1HD   LYS  77          2HD       LYS  77 -11.932 -11.316   1.649
  587   2HD   LYS  77          1HD       LYS  77 -13.579 -11.158   1.055
  588   1HE   LYS  77          2HE       LYS  77 -13.554 -13.693   0.707
  589   2HE   LYS  77          1HE       LYS  77 -12.046 -13.710   1.629
  590   1HZ   LYS  77          1HZ       LYS  77 -13.101 -13.157   3.542
  591   2HZ   LYS  77          2HZ       LYS  77 -14.394 -13.952   2.779
  592   3HZ   LYS  77          3HZ       LYS  77 -14.311 -12.255   2.767
  593    H    LEU  78           H        LEU  78  -8.604 -11.025  -2.366
  594    HA   LEU  78           HA       LEU  78  -9.089 -13.477  -3.715
  595   1HB   LEU  78          2HB       LEU  78  -7.293 -11.111  -4.071
  596   2HB   LEU  78          1HB       LEU  78  -6.830 -12.566  -4.961
  597    HG   LEU  78           HG       LEU  78  -9.047 -12.673  -5.999
  598   1HD1  LEU  78          1HD1      LEU  78 -10.513 -10.526  -5.594
  599   2HD1  LEU  78          2HD1      LEU  78  -9.612 -10.411  -4.084
  600   3HD1  LEU  78          3HD1      LEU  78 -10.578 -11.845  -4.426
  601   1HD2  LEU  78          1HD2      LEU  78  -8.773 -10.836  -7.482
  602   2HD2  LEU  78          2HD2      LEU  78  -7.151 -11.110  -6.845
  603   3HD2  LEU  78          3HD2      LEU  78  -8.134  -9.794  -6.210
  604    H    ALA  79           H        ALA  79  -6.596 -12.443  -1.504
  605    HA   ALA  79           HA       ALA  79  -4.769 -14.606  -1.905
  606   1HB   ALA  79          1HB       ALA  79  -4.392 -12.431  -0.596
  607   2HB   ALA  79          2HB       ALA  79  -3.766 -13.895   0.155
  608   3HB   ALA  79          3HB       ALA  79  -5.271 -13.188   0.727
  609    H    ASN  80           H        ASN  80  -7.279 -14.132   0.615
  610    HA   ASN  80           HA       ASN  80  -7.007 -16.841   1.574
  611   1HB   ASN  80          2HB       ASN  80  -7.948 -14.656   2.757
  612   2HB   ASN  80          1HB       ASN  80  -9.491 -15.244   2.132
  613   1HD2  ASN  80          1HD2      ASN  80  -6.573 -16.657   3.703
  614   2HD2  ASN  80          2HD2      ASN  80  -7.435 -17.690   4.705
  615    H    GLU  81           H        GLU  81  -8.609 -15.604  -1.169
  616    HA   GLU  81           HA       GLU  81 -10.704 -17.709  -1.118
  617   1HB   GLU  81          2HB       GLU  81 -10.092 -15.395  -2.943
  618   2HB   GLU  81          1HB       GLU  81 -11.224 -16.653  -3.427
  619   1HG   GLU  81          2HG       GLU  81 -12.572 -16.241  -1.422
  620   2HG   GLU  81          1HG       GLU  81 -11.422 -15.019  -0.884
  621    H    GLY  82           H        GLY  82  -7.487 -17.357  -2.155
  622   1HA   GLY  82          2HA       GLY  82  -6.227 -19.214  -3.040
  623   2HA   GLY  82          1HA       GLY  82  -7.714 -19.895  -3.696
  624    H    LYS  83           H        LYS  83  -7.415 -16.535  -4.282
  625    HA   LYS  83           HA       LYS  83  -6.807 -17.115  -7.142
  626   1HB   LYS  83          2HB       LYS  83  -7.491 -14.379  -6.110
  627   2HB   LYS  83          1HB       LYS  83  -7.811 -15.075  -7.684
  628   1HG   LYS  83          2HG       LYS  83  -9.210 -15.692  -5.098
  629   2HG   LYS  83          1HG       LYS  83  -9.892 -14.954  -6.537
  630   1HD   LYS  83          2HD       LYS  83  -9.176 -17.151  -7.745
  631   2HD   LYS  83          1HD       LYS  83  -9.077 -17.826  -6.121
  632   1HE   LYS  83          2HE       LYS  83 -11.301 -18.230  -7.111
  633   2HE   LYS  83          1HE       LYS  83 -11.418 -17.182  -5.697
  634   1HZ   LYS  83          1HZ       LYS  83 -12.482 -16.619  -8.092
  635   2HZ   LYS  83          2HZ       LYS  83 -10.997 -15.800  -8.201
  636   3HZ   LYS  83          3HZ       LYS  83 -12.072 -15.451  -6.932
  637    H    VAL  84           H        VAL  84  -4.608 -17.549  -6.720
  638    HA   VAL  84           HA       VAL  84  -2.813 -15.586  -5.558
  639    HB   VAL  84           HB       VAL  84  -2.094 -17.999  -7.249
  640   1HG1  VAL  84          1HG1      VAL  84  -0.033 -17.912  -5.827
  641   2HG1  VAL  84          2HG1      VAL  84  -0.614 -16.388  -5.156
  642   3HG1  VAL  84          3HG1      VAL  84  -0.222 -16.504  -6.871
  643   1HG2  VAL  84          1HG2      VAL  84  -2.647 -17.765  -4.278
  644   2HG2  VAL  84          2HG2      VAL  84  -1.905 -19.170  -5.046
  645   3HG2  VAL  84          3HG2      VAL  84  -3.563 -18.718  -5.445
  646    H    LYS  85           H        LYS  85  -3.006 -16.908  -8.902
  647    HA   LYS  85           HA       LYS  85  -1.283 -15.054 -10.102
  648   1HB   LYS  85          2HB       LYS  85  -3.854 -16.223 -11.220
  649   2HB   LYS  85          1HB       LYS  85  -2.659 -15.361 -12.183
  650   1HG   LYS  85          2HG       LYS  85  -1.735 -17.435 -12.525
  651   2HG   LYS  85          1HG       LYS  85  -1.054 -17.222 -10.917
  652   1HD   LYS  85          2HD       LYS  85  -2.915 -18.435  -9.915
  653   2HD   LYS  85          1HD       LYS  85  -3.737 -18.531 -11.473
  654   1HE   LYS  85          2HE       LYS  85  -1.844 -19.846 -12.381
  655   2HE   LYS  85          1HE       LYS  85  -1.057 -19.784 -10.803
  656   1HZ   LYS  85          1HZ       LYS  85  -3.448 -21.261 -11.634
  657   2HZ   LYS  85          2HZ       LYS  85  -3.352 -20.724 -10.024
  658   3HZ   LYS  85          3HZ       LYS  85  -2.159 -21.759 -10.651
  659    H    GLU  86           H        GLU  86  -4.688 -14.656  -9.225
  660    HA   GLU  86           HA       GLU  86  -5.011 -12.059 -10.421
  661   1HB   GLU  86          2HB       GLU  86  -6.481 -13.253  -8.046
  662   2HB   GLU  86          1HB       GLU  86  -7.004 -11.878  -9.018
  663   1HG   GLU  86          2HG       GLU  86  -8.207 -13.799  -9.828
  664   2HG   GLU  86          1HG       GLU  86  -7.004 -13.370 -11.041
  665    H    ALA  87           H        ALA  87  -4.240 -13.190  -7.122
  666    HA   ALA  87           HA       ALA  87  -3.995 -10.538  -6.040
  667   1HB   ALA  87          1HB       ALA  87  -2.573 -11.750  -4.270
  668   2HB   ALA  87          2HB       ALA  87  -2.913 -13.223  -5.179
  669   3HB   ALA  87          3HB       ALA  87  -4.237 -12.303  -4.463
  670    H    GLN  88           H        GLN  88  -1.635 -12.818  -7.335
  671    HA   GLN  88           HA       GLN  88   0.695 -11.227  -6.971
  672   1HB   GLN  88          2HB       GLN  88   1.339 -13.362  -7.498
  673   2HB   GLN  88          1HB       GLN  88  -0.142 -13.684  -8.370
  674   1HG   GLN  88          2HG       GLN  88   0.694 -12.842 -10.393
  675   2HG   GLN  88          1HG       GLN  88   1.981 -11.967  -9.588
  676   1HE2  GLN  88          1HE2      GLN  88   1.026 -15.373  -9.008
  677   2HE2  GLN  88          2HE2      GLN  88   2.504 -16.030  -9.478
  678    H    ALA  89           H        ALA  89  -1.207 -11.756  -9.972
  679    HA   ALA  89           HA       ALA  89   0.070  -9.800 -11.543
  680   1HB   ALA  89          1HB       ALA  89  -1.614 -11.399 -12.427
  681   2HB   ALA  89          2HB       ALA  89  -1.993  -9.738 -12.884
  682   3HB   ALA  89          3HB       ALA  89  -2.880 -10.518 -11.574
  683    H    ALA  90           H        ALA  90  -2.539  -9.439  -9.160
  684    HA   ALA  90           HA       ALA  90  -3.051  -6.655  -9.678
  685   1HB   ALA  90          1HB       ALA  90  -3.892  -6.655  -7.287
  686   2HB   ALA  90          2HB       ALA  90  -3.345  -8.327  -7.157
  687   3HB   ALA  90          3HB       ALA  90  -4.615  -7.901  -8.303
  688    H    ALA  91           H        ALA  91  -0.674  -8.411  -7.746
  689    HA   ALA  91           HA       ALA  91   0.468  -6.367  -6.213
  690   1HB   ALA  91          1HB       ALA  91   2.230  -8.276  -7.749
  691   2HB   ALA  91          2HB       ALA  91   1.171  -8.870  -6.470
  692   3HB   ALA  91          3HB       ALA  91   2.417  -7.679  -6.100
  693    H    GLU  92           H        GLU  92   0.977  -7.097  -9.663
  694    HA   GLU  92           HA       GLU  92   2.887  -4.985 -10.104
  695   1HB   GLU  92          2HB       GLU  92   1.106  -6.673 -11.845
  696   2HB   GLU  92          1HB       GLU  92   1.867  -5.248 -12.554
  697   1HG   GLU  92          2HG       GLU  92   4.012  -6.116 -12.371
  698   2HG   GLU  92          1HG       GLU  92   3.624  -7.080 -10.948
  699    H    GLN  93           H        GLN  93  -0.588  -5.122  -9.808
  700    HA   GLN  93           HA       GLN  93  -1.087  -2.494 -10.957
  701   1HB   GLN  93          2HB       GLN  93  -2.794  -4.432 -10.579
  702   2HB   GLN  93          1HB       GLN  93  -2.834  -3.903  -8.904
  703   1HG   GLN  93          2HG       GLN  93  -3.223  -1.732 -10.920
  704   2HG   GLN  93          1HG       GLN  93  -4.503  -2.935 -10.842
  705   1HE2  GLN  93          1HE2      GLN  93  -2.546  -1.850  -8.026
  706   2HE2  GLN  93          2HE2      GLN  93  -3.850  -1.149  -7.195
  707    H    LEU  94           H        LEU  94  -0.518  -3.886  -7.756
  708    HA   LEU  94           HA       LEU  94  -0.875  -1.498  -6.218
  709   1HB   LEU  94          2HB       LEU  94   0.687  -4.043  -5.816
  710   2HB   LEU  94          1HB       LEU  94   0.852  -2.718  -4.670
  711    HG   LEU  94           HG       LEU  94  -1.603  -2.745  -4.298
  712   1HD1  LEU  94          1HD1      LEU  94  -1.492  -5.165  -6.105
  713   2HD1  LEU  94          2HD1      LEU  94  -2.348  -3.665  -6.444
  714   3HD1  LEU  94          3HD1      LEU  94  -2.884  -4.720  -5.136
  715   1HD2  LEU  94          1HD2      LEU  94  -0.143  -5.372  -3.925
  716   2HD2  LEU  94          2HD2      LEU  94  -1.679  -4.989  -3.157
  717   3HD2  LEU  94          3HD2      LEU  94  -0.244  -4.040  -2.772
  718    H    LYS  95           H        LYS  95   1.916  -2.971  -7.830
  719    HA   LYS  95           HA       LYS  95   3.942  -1.163  -7.043
  720   1HB   LYS  95          2HB       LYS  95   3.510  -2.682  -9.634
  721   2HB   LYS  95          1HB       LYS  95   4.977  -1.773  -9.285
  722   1HG   LYS  95          2HG       LYS  95   4.758  -3.294  -6.990
  723   2HG   LYS  95          1HG       LYS  95   4.055  -4.383  -8.176
  724   1HD   LYS  95          2HD       LYS  95   6.437  -4.817  -8.026
  725   2HD   LYS  95          1HD       LYS  95   6.094  -4.091  -9.595
  726   1HE   LYS  95          2HE       LYS  95   7.255  -2.157  -9.087
  727   2HE   LYS  95          1HE       LYS  95   6.760  -2.177  -7.392
  728   1HZ   LYS  95          1HZ       LYS  95   8.288  -4.334  -7.465
  729   2HZ   LYS  95          2HZ       LYS  95   8.888  -2.784  -7.112
  730   3HZ   LYS  95          3HZ       LYS  95   9.048  -3.425  -8.678
  731    H    THR  96           H        THR  96   1.730  -0.989  -9.838
  732    HA   THR  96           HA       THR  96   2.724   1.584 -10.714
  733    HB   THR  96           HB       THR  96   0.029   0.293 -11.256
  734    HG1  THR  96           1HG      THR  96   1.860  -0.952 -11.896
  735   1HG2  THR  96          1HG2      THR  96  -0.078   2.609 -11.835
  736   2HG2  THR  96          2HG2      THR  96   0.226   1.746 -13.343
  737   3HG2  THR  96          3HG2      THR  96   1.545   2.580 -12.523
  738    H    THR  97           H        THR  97   0.213   0.561  -8.461
  739    HA   THR  97           HA       THR  97  -1.134   3.059  -8.215
  740    HB   THR  97           HB       THR  97  -0.710   0.779  -6.285
  741    HG1  THR  97           1HG      THR  97  -2.303   1.178  -8.286
  742   1HG2  THR  97          1HG2      THR  97  -1.035   2.447  -4.712
  743   2HG2  THR  97          2HG2      THR  97  -2.714   2.054  -5.105
  744   3HG2  THR  97          3HG2      THR  97  -1.950   3.469  -5.824
  745    H    ILE  98           H        ILE  98   1.617   1.693  -6.393
  746    HA   ILE  98           HA       ILE  98   2.103   3.799  -4.614
  747    HB   ILE  98           HB       ILE  98   4.058   2.081  -6.140
  748   1HG1  ILE  98          2HG1      ILE  98   3.091   1.866  -3.277
  749   2HG1  ILE  98          1HG1      ILE  98   2.403   0.945  -4.615
  750   1HG2  ILE  98          1HG2      ILE  98   5.596   2.689  -4.171
  751   2HG2  ILE  98          2HG2      ILE  98   4.460   3.991  -3.830
  752   3HG2  ILE  98          3HG2      ILE  98   5.323   3.954  -5.367
  753   1HD1  ILE  98          1HD1      ILE  98   5.337   0.890  -3.848
  754   2HD1  ILE  98          2HD1      ILE  98   4.542  -0.125  -5.048
  755   3HD1  ILE  98          3HD1      ILE  98   4.160  -0.320  -3.339
  756    H    ARG  99           H        ARG  99   2.922   3.475  -8.047
  757    HA   ARG  99           HA       ARG  99   4.617   5.680  -8.323
  758   1HB   ARG  99          2HB       ARG  99   3.742   3.949 -10.103
  759   2HB   ARG  99          1HB       ARG  99   2.483   5.145 -10.386
  760   1HG   ARG  99          2HG       ARG  99   4.223   5.677 -11.935
  761   2HG   ARG  99          1HG       ARG  99   4.340   6.874 -10.644
  762   1HD   ARG  99          2HD       ARG  99   6.373   6.073  -9.913
  763   2HD   ARG  99          1HD       ARG  99   5.968   4.394 -10.261
  764    HE   ARG  99           HE       ARG  99   7.242   6.264 -12.100
  765   1HH1  ARG  99          1HH2      ARG  99   5.323   3.430 -11.687
  766   2HH1  ARG  99          2HH2      ARG  99   5.776   2.739 -13.209
  767   1HH2  ARG  99          1HH1      ARG  99   7.841   5.379 -14.095
  768   2HH2  ARG  99          2HH1      ARG  99   7.203   3.841 -14.570
  769    H    ALA 100           H        ALA 100   1.066   5.549  -8.318
  770    HA   ALA 100           HA       ALA 100   0.644   8.355  -8.752
  771   1HB   ALA 100          1HB       ALA 100  -1.123   6.573  -8.950
  772   2HB   ALA 100          2HB       ALA 100  -1.620   7.957  -7.975
  773   3HB   ALA 100          3HB       ALA 100  -1.130   6.455  -7.190
  774    H    TYR 101           H        TYR 101   1.173   6.425  -5.818
  775    HA   TYR 101           HA       TYR 101   0.619   8.579  -3.987
  776   1HB   TYR 101          2HB       TYR 101   0.694   6.503  -2.916
  777   2HB   TYR 101          1HB       TYR 101   2.080   5.971  -3.832
  778    HD1  TYR 101           1HD      TYR 101   4.344   6.867  -3.346
  779    HD2  TYR 101           2HD      TYR 101   0.977   7.613  -0.794
  780    HE1  TYR 101           1HE      TYR 101   5.881   7.519  -1.516
  781    HE2  TYR 101           2HE      TYR 101   2.515   8.272   1.039
  782    HH   TYR 101           HH       TYR 101   4.789   9.080   1.334
  783    H    ASN 102           H        ASN 102   3.365   7.680  -5.944
  784    HA   ASN 102           HA       ASN 102   5.263   9.291  -4.540
  785   1HB   ASN 102          2HB       ASN 102   6.480   7.916  -5.858
  786   2HB   ASN 102          1HB       ASN 102   5.230   7.807  -7.093
  787   1HD2  ASN 102          1HD2      ASN 102   6.763  10.845  -5.930
  788   2HD2  ASN 102          2HD2      ASN 102   7.503  11.221  -7.413
  789    H    GLN 103           H        GLN 103   2.875  10.142  -7.062
  790    HA   GLN 103           HA       GLN 103   4.106  12.732  -7.515
  791   1HB   GLN 103          2HB       GLN 103   2.193  13.325  -8.755
  792   2HB   GLN 103          1HB       GLN 103   2.215  11.578  -8.942
  793   1HG   GLN 103          2HG       GLN 103  -0.035  12.070  -8.406
  794   2HG   GLN 103          1HG       GLN 103   0.659  11.531  -6.888
  795   1HE2  GLN 103          1HE2      GLN 103   0.454  12.859  -5.151
  796   2HE2  GLN 103          2HE2      GLN 103   0.012  14.498  -5.206
  797    H    LYS 104           H        LYS 104   2.327  11.187  -5.084
  798    HA   LYS 104           HA       LYS 104   1.522  13.650  -3.690
  799   1HB   LYS 104          2HB       LYS 104   0.048  12.186  -2.763
  800   2HB   LYS 104          1HB       LYS 104   0.878  10.838  -3.509
  801   1HG   LYS 104          2HG       LYS 104   2.394  10.656  -1.628
  802   2HG   LYS 104          1HG       LYS 104   1.749  12.125  -0.922
  803   1HD   LYS 104          2HD       LYS 104  -0.110   9.841  -1.506
  804   2HD   LYS 104          1HD       LYS 104   0.897   9.811  -0.069
  805   1HE   LYS 104          2HE       LYS 104  -0.281  11.494   0.968
  806   2HE   LYS 104          1HE       LYS 104  -0.587  12.353  -0.540
  807   1HZ   LYS 104          1HZ       LYS 104  -2.342  10.741   0.827
  808   2HZ   LYS 104          2HZ       LYS 104  -1.879   9.826  -0.527
  809   3HZ   LYS 104          3HZ       LYS 104  -2.546  11.375  -0.733
  810    H    TYR 105           H        TYR 105   4.154  11.259  -3.566
  811    HA   TYR 105           HA       TYR 105   5.390  12.758  -1.335
  812   1HB   TYR 105          2HB       TYR 105   5.988  10.671  -0.681
  813   2HB   TYR 105          1HB       TYR 105   5.448  10.000  -2.213
  814    HD1  TYR 105           1HD      TYR 105   7.071  10.627  -4.253
  815    HD2  TYR 105           2HD      TYR 105   8.256  10.359  -0.147
  816    HE1  TYR 105           1HE      TYR 105   9.413  10.196  -4.966
  817    HE2  TYR 105           2HE      TYR 105  10.602   9.945  -0.845
  818    HH   TYR 105           HH       TYR 105  12.030  10.436  -2.886
  819    H    GLY 106           H        GLY 106   5.148  13.258  -4.469
  820   1HA   GLY 106          2HA       GLY 106   7.984  13.687  -5.127
  821   2HA   GLY 106          1HA       GLY 106   6.609  14.058  -6.167
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  14.235   5.235  12.322
    2   2H    ALA   1          2HT       ALA   1  14.789   6.767  11.835
    3   3H    ALA   1          3HT       ALA   1  15.800   5.408  11.690
    4    HA   ALA   1           HA       ALA   1  14.059   6.446   9.787
    5   1HB   ALA   1          1HB       ALA   1  15.749   3.947  10.007
    6   2HB   ALA   1          2HB       ALA   1  16.141   5.448   9.168
    7   3HB   ALA   1          3HB       ALA   1  14.892   4.380   8.529
    8    H    ASP   2           H        ASP   2  12.027   6.086  11.280
    9    HA   ASP   2           HA       ASP   2  10.930   3.349  11.194
   10   1HB   ASP   2          2HB       ASP   2   9.999   6.020  12.225
   11   2HB   ASP   2          1HB       ASP   2   8.855   4.682  12.079
   12    H    LEU   3           H        LEU   3  10.934   6.177   9.277
   13    HA   LEU   3           HA       LEU   3   8.421   5.520   7.889
   14   1HB   LEU   3          2HB       LEU   3  10.465   7.656   7.200
   15   2HB   LEU   3          1HB       LEU   3   8.804   7.557   6.622
   16    HG   LEU   3           HG       LEU   3   9.692   8.031   9.484
   17   1HD1  LEU   3          1HD1      LEU   3   8.291   9.763   7.428
   18   2HD1  LEU   3          2HD1      LEU   3   9.902  10.014   8.098
   19   3HD1  LEU   3          3HD1      LEU   3   8.481  10.196   9.126
   20   1HD2  LEU   3          1HD2      LEU   3   6.998   7.442   8.252
   21   2HD2  LEU   3          2HD2      LEU   3   7.114   8.431   9.709
   22   3HD2  LEU   3          3HD2      LEU   3   7.712   6.773   9.720
   23    H    GLU   4           H        GLU   4  11.882   5.800   7.122
   24    HA   GLU   4           HA       GLU   4  11.659   4.742   4.460
   25   1HB   GLU   4          2HB       GLU   4  14.101   4.450   6.223
   26   2HB   GLU   4          1HB       GLU   4  14.029   4.682   4.475
   27   1HG   GLU   4          2HG       GLU   4  13.329   6.727   6.598
   28   2HG   GLU   4          1HG       GLU   4  14.705   6.777   5.498
   29    H    ASP   5           H        ASP   5  11.714   3.445   7.642
   30    HA   ASP   5           HA       ASP   5  12.480   0.745   6.890
   31   1HB   ASP   5          2HB       ASP   5  12.848   1.304   9.148
   32   2HB   ASP   5          1HB       ASP   5  11.269   2.072   9.299
   33    H    ASN   6           H        ASN   6   9.354   2.276   7.753
   34    HA   ASN   6           HA       ASN   6   7.709   0.045   7.306
   35   1HB   ASN   6          2HB       ASN   6   6.466   1.771   8.219
   36   2HB   ASN   6          1HB       ASN   6   7.353   3.006   7.335
   37   1HD2  ASN   6          1HD2      ASN   6   6.934   2.741   4.798
   38   2HD2  ASN   6          2HD2      ASN   6   5.304   2.588   4.352
   39    H    TRP   7           H        TRP   7   9.093   2.370   5.024
   40    HA   TRP   7           HA       TRP   7   7.678   1.663   2.683
   41   1HB   TRP   7          2HB       TRP   7  10.562   2.494   3.124
   42   2HB   TRP   7          1HB       TRP   7   9.956   2.156   1.512
   43    HD1  TRP   7           HD       TRP   7   7.885   4.027   4.180
   44    HE1  TRP   7           1HE      TRP   7   7.483   6.433   3.340
   45    HE3  TRP   7           3HE      TRP   7  10.775   3.969  -0.023
   46    HZ2  TRP   7           2HZ      TRP   7   8.293   8.104   1.156
   47    HZ3  TRP   7           3HZ      TRP   7  10.945   5.978  -1.462
   48    HH2  TRP   7           HH       TRP   7   9.706   8.042  -0.878
   49    H    GLU   8           H        GLU   8  10.727   0.238   3.913
   50    HA   GLU   8           HA       GLU   8  10.967  -1.766   1.972
   51   1HB   GLU   8          2HB       GLU   8  12.635  -1.116   3.783
   52   2HB   GLU   8          1HB       GLU   8  11.666  -2.088   4.890
   53   1HG   GLU   8          2HG       GLU   8  11.898  -3.982   3.238
   54   2HG   GLU   8          1HG       GLU   8  13.125  -3.019   2.420
   55    H    THR   9           H        THR   9   8.876  -1.554   4.800
   56    HA   THR   9           HA       THR   9   8.192  -4.350   4.828
   57    HB   THR   9           HB       THR   9   6.553  -2.029   5.881
   58    HG1  THR   9           1HG      THR   9   8.900  -2.704   6.598
   59   1HG2  THR   9          1HG2      THR   9   6.533  -5.007   6.413
   60   2HG2  THR   9          2HG2      THR   9   5.231  -4.043   5.716
   61   3HG2  THR   9          3HG2      THR   9   5.681  -3.827   7.409
   62    H    LEU  10           H        LEU  10   6.120  -1.579   3.775
   63    HA   LEU  10           HA       LEU  10   4.270  -3.299   2.458
   64   1HB   LEU  10          2HB       LEU  10   3.506  -1.309   1.211
   65   2HB   LEU  10          1HB       LEU  10   3.689  -0.978   2.929
   66    HG   LEU  10           HG       LEU  10   6.174  -0.277   2.077
   67   1HD1  LEU  10          1HD1      LEU  10   5.776  -0.658  -0.290
   68   2HD1  LEU  10          2HD1      LEU  10   5.881   1.077  -0.016
   69   3HD1  LEU  10          3HD1      LEU  10   4.308   0.315  -0.237
   70   1HD2  LEU  10          1HD2      LEU  10   5.389   2.062   2.121
   71   2HD2  LEU  10          2HD2      LEU  10   4.654   1.121   3.420
   72   3HD2  LEU  10          3HD2      LEU  10   3.723   1.501   1.972
   73    H    ASN  11           H        ASN  11   7.377  -1.996   1.483
   74    HA   ASN  11           HA       ASN  11   7.106  -2.741  -1.313
   75   1HB   ASN  11          2HB       ASN  11   8.814  -1.097  -0.270
   76   2HB   ASN  11          1HB       ASN  11   9.736  -2.537   0.166
   77   1HD2  ASN  11          1HD2      ASN  11   8.023  -1.241  -2.753
   78   2HD2  ASN  11          2HD2      ASN  11   9.223  -1.729  -3.850
   79    H    ASP  12           H        ASP  12   8.985  -4.189   1.367
   80    HA   ASP  12           HA       ASP  12   9.687  -6.591   0.026
   81   1HB   ASP  12          2HB       ASP  12  10.769  -5.931   2.111
   82   2HB   ASP  12          1HB       ASP  12   9.244  -6.082   2.984
   83    H    ASN  13           H        ASN  13   6.632  -5.536   1.058
   84    HA   ASN  13           HA       ASN  13   5.467  -8.119   1.688
   85   1HB   ASN  13          2HB       ASN  13   4.609  -5.321   1.429
   86   2HB   ASN  13          1HB       ASN  13   3.431  -6.419   0.774
   87   1HD2  ASN  13          1HD2      ASN  13   3.492  -4.678   3.306
   88   2HD2  ASN  13          2HD2      ASN  13   3.035  -5.756   4.547
   89    H    LEU  14           H        LEU  14   5.288  -5.895  -1.078
   90    HA   LEU  14           HA       LEU  14   3.790  -7.467  -2.851
   91   1HB   LEU  14          2HB       LEU  14   5.948  -5.415  -3.321
   92   2HB   LEU  14          1HB       LEU  14   5.000  -6.106  -4.639
   93    HG   LEU  14           HG       LEU  14   3.533  -4.995  -2.253
   94   1HD1  LEU  14          1HD1      LEU  14   4.879  -3.364  -4.410
   95   2HD1  LEU  14          2HD1      LEU  14   4.983  -3.156  -2.663
   96   3HD1  LEU  14          3HD1      LEU  14   3.484  -2.772  -3.508
   97   1HD2  LEU  14          1HD2      LEU  14   2.980  -4.977  -5.237
   98   2HD2  LEU  14          2HD2      LEU  14   1.872  -4.480  -3.964
   99   3HD2  LEU  14          3HD2      LEU  14   2.346  -6.171  -4.102
  100    H    LYS  15           H        LYS  15   7.309  -7.537  -2.299
  101    HA   LYS  15           HA       LYS  15   7.818  -9.264  -4.546
  102   1HB   LYS  15          2HB       LYS  15   9.695  -8.104  -3.625
  103   2HB   LYS  15          1HB       LYS  15   9.357  -8.700  -2.006
  104   1HG   LYS  15          2HG       LYS  15   9.765 -10.878  -3.987
  105   2HG   LYS  15          1HG       LYS  15  11.179  -9.846  -3.772
  106   1HD   LYS  15          2HD       LYS  15  11.411 -10.384  -1.503
  107   2HD   LYS  15          1HD       LYS  15   9.723 -10.867  -1.336
  108   1HE   LYS  15          2HE       LYS  15  11.517 -12.734  -1.414
  109   2HE   LYS  15          1HE       LYS  15  10.070 -12.913  -2.407
  110   1HZ   LYS  15          1HZ       LYS  15  12.812 -12.249  -3.223
  111   2HZ   LYS  15          2HZ       LYS  15  11.512 -11.679  -4.156
  112   3HZ   LYS  15          3HZ       LYS  15  11.722 -13.347  -3.917
  113    H    VAL  16           H        VAL  16   7.105  -9.892  -1.109
  114    HA   VAL  16           HA       VAL  16   7.503 -12.710  -1.237
  115    HB   VAL  16           HB       VAL  16   5.645 -11.063   0.503
  116   1HG1  VAL  16          1HG1      VAL  16   6.319 -14.013   0.523
  117   2HG1  VAL  16          2HG1      VAL  16   4.720 -13.271   0.490
  118   3HG1  VAL  16          3HG1      VAL  16   5.706 -13.176   1.949
  119   1HG2  VAL  16          1HG2      VAL  16   7.366 -11.298   2.166
  120   2HG2  VAL  16          2HG2      VAL  16   8.183 -10.800   0.686
  121   3HG2  VAL  16          3HG2      VAL  16   8.230 -12.487   1.194
  122    H    ILE  17           H        ILE  17   4.924 -10.709  -2.476
  123    HA   ILE  17           HA       ILE  17   2.940 -12.811  -2.670
  124    HB   ILE  17           HB       ILE  17   3.150 -10.379  -4.466
  125   1HG1  ILE  17          2HG1      ILE  17   2.067 -10.650  -1.654
  126   2HG1  ILE  17          1HG1      ILE  17   3.407  -9.652  -2.192
  127   1HG2  ILE  17          1HG2      ILE  17   0.780 -10.625  -4.678
  128   2HG2  ILE  17          2HG2      ILE  17   0.717 -11.796  -3.362
  129   3HG2  ILE  17          3HG2      ILE  17   1.450 -12.241  -4.902
  130   1HD1  ILE  17          1HD1      ILE  17   1.717  -8.524  -3.776
  131   2HD1  ILE  17          2HD1      ILE  17   1.578  -8.147  -2.058
  132   3HD1  ILE  17          3HD1      ILE  17   0.474  -9.307  -2.799
  133    H    GLU  18           H        GLU  18   4.598 -11.195  -5.397
  134    HA   GLU  18           HA       GLU  18   4.102 -13.155  -7.324
  135   1HB   GLU  18          2HB       GLU  18   6.819 -11.859  -7.286
  136   2HB   GLU  18          1HB       GLU  18   5.708 -12.099  -8.639
  137   1HG   GLU  18          2HG       GLU  18   4.161 -10.471  -7.174
  138   2HG   GLU  18          1HG       GLU  18   5.715  -9.951  -6.543
  139    H    LYS  19           H        LYS  19   6.290 -13.238  -4.647
  140    HA   LYS  19           HA       LYS  19   7.467 -15.809  -5.626
  141   1HB   LYS  19          2HB       LYS  19   8.470 -13.599  -3.969
  142   2HB   LYS  19          1HB       LYS  19   8.777 -15.167  -3.237
  143   1HG   LYS  19          2HG       LYS  19  10.655 -14.589  -4.663
  144   2HG   LYS  19          1HG       LYS  19   9.771 -15.927  -5.381
  145   1HD   LYS  19          2HD       LYS  19   9.641 -14.708  -7.304
  146   2HD   LYS  19          1HD       LYS  19   8.517 -13.642  -6.467
  147   1HE   LYS  19          2HE       LYS  19  10.277 -12.268  -7.360
  148   2HE   LYS  19          1HE       LYS  19  10.526 -12.354  -5.616
  149   1HZ   LYS  19          1HZ       LYS  19  12.052 -14.272  -6.096
  150   2HZ   LYS  19          2HZ       LYS  19  12.608 -12.747  -6.598
  151   3HZ   LYS  19          3HZ       LYS  19  11.969 -13.837  -7.733
  152    H    ALA  20           H        ALA  20   4.880 -14.792  -3.811
  153    HA   ALA  20           HA       ALA  20   4.988 -16.434  -1.488
  154   1HB   ALA  20          1HB       ALA  20   2.392 -16.532  -1.880
  155   2HB   ALA  20          2HB       ALA  20   2.717 -15.401  -3.180
  156   3HB   ALA  20          3HB       ALA  20   3.135 -14.977  -1.522
  157    H    ASP  21           H        ASP  21   4.111 -17.079  -4.807
  158    HA   ASP  21           HA       ASP  21   3.818 -19.048  -6.000
  159   1HB   ASP  21          2HB       ASP  21   5.650 -19.965  -3.781
  160   2HB   ASP  21          1HB       ASP  21   5.120 -21.044  -5.065
  161    H    ASN  22           H        ASN  22   2.518 -18.727  -2.873
  162    HA   ASN  22           HA       ASN  22   0.552 -20.835  -3.535
  163   1HB   ASN  22          2HB       ASN  22   1.554 -20.830  -0.694
  164   2HB   ASN  22          1HB       ASN  22   0.738 -22.110  -1.594
  165   1HD2  ASN  22          1HD2      ASN  22   3.679 -20.146  -2.061
  166   2HD2  ASN  22          2HD2      ASN  22   4.677 -21.459  -2.423
  167    H    ALA  23           H        ALA  23  -1.474 -20.421  -2.694
  168    HA   ALA  23           HA       ALA  23  -2.204 -17.750  -2.129
  169   1HB   ALA  23          1HB       ALA  23  -3.805 -20.117  -1.176
  170   2HB   ALA  23          2HB       ALA  23  -3.658 -19.737  -2.891
  171   3HB   ALA  23          3HB       ALA  23  -4.386 -18.567  -1.790
  172    H    ALA  24           H        ALA  24  -0.992 -20.194   0.027
  173    HA   ALA  24           HA       ALA  24  -2.103 -19.167   2.463
  174   1HB   ALA  24          1HB       ALA  24  -0.961 -21.406   2.153
  175   2HB   ALA  24          2HB       ALA  24  -0.451 -20.510   3.586
  176   3HB   ALA  24          3HB       ALA  24   0.577 -20.543   2.154
  177    H    GLN  25           H        GLN  25   1.168 -18.672   1.077
  178    HA   GLN  25           HA       GLN  25   1.919 -16.704   3.005
  179   1HB   GLN  25          2HB       GLN  25   3.123 -16.753   0.256
  180   2HB   GLN  25          1HB       GLN  25   3.901 -16.536   1.809
  181   1HG   GLN  25          2HG       GLN  25   3.151 -18.995   2.274
  182   2HG   GLN  25          1HG       GLN  25   2.936 -19.089   0.522
  183   1HE2  GLN  25          1HE2      GLN  25   4.985 -18.107  -0.715
  184   2HE2  GLN  25          2HE2      GLN  25   6.490 -18.612  -0.115
  185    H    VAL  26           H        VAL  26  -0.108 -16.496   0.234
  186    HA   VAL  26           HA       VAL  26   0.388 -13.695  -0.365
  187    HB   VAL  26           HB       VAL  26  -2.134 -15.294  -0.924
  188   1HG1  VAL  26          1HG1      VAL  26  -1.109 -12.874  -2.427
  189   2HG1  VAL  26          2HG1      VAL  26  -2.189 -12.699  -1.055
  190   3HG1  VAL  26          3HG1      VAL  26  -2.717 -13.585  -2.477
  191   1HG2  VAL  26          1HG2      VAL  26  -1.202 -15.867  -3.036
  192   2HG2  VAL  26          2HG2      VAL  26   0.115 -16.129  -1.905
  193   3HG2  VAL  26          3HG2      VAL  26   0.088 -14.676  -2.887
  194    H    LYS  27           H        LYS  27  -2.160 -15.393   1.557
  195    HA   LYS  27           HA       LYS  27  -3.515 -13.049   2.401
  196   1HB   LYS  27          2HB       LYS  27  -2.892 -15.521   4.042
  197   2HB   LYS  27          1HB       LYS  27  -4.082 -14.310   4.472
  198   1HG   LYS  27          2HG       LYS  27  -5.657 -15.384   3.233
  199   2HG   LYS  27          1HG       LYS  27  -4.685 -15.184   1.790
  200   1HD   LYS  27          2HD       LYS  27  -5.019 -17.549   2.057
  201   2HD   LYS  27          1HD       LYS  27  -3.354 -17.211   2.510
  202   1HE   LYS  27          2HE       LYS  27  -3.756 -17.521   4.784
  203   2HE   LYS  27          1HE       LYS  27  -5.486 -17.216   4.632
  204   1HZ   LYS  27          1HZ       LYS  27  -4.618 -19.625   4.904
  205   2HZ   LYS  27          2HZ       LYS  27  -4.290 -19.513   3.241
  206   3HZ   LYS  27          3HZ       LYS  27  -5.877 -19.307   3.813
  207    H    ASP  28           H        ASP  28  -0.861 -14.838   3.839
  208    HA   ASP  28           HA       ASP  28  -0.262 -13.186   6.024
  209   1HB   ASP  28          2HB       ASP  28   1.723 -14.664   4.263
  210   2HB   ASP  28          1HB       ASP  28   1.949 -14.227   5.957
  211    H    ALA  29           H        ALA  29   0.784 -12.936   2.640
  212    HA   ALA  29           HA       ALA  29   2.598 -10.761   3.099
  213   1HB   ALA  29          1HB       ALA  29   2.751 -12.127   1.076
  214   2HB   ALA  29          2HB       ALA  29   2.483 -10.440   0.640
  215   3HB   ALA  29          3HB       ALA  29   1.149 -11.591   0.570
  216    H    LEU  30           H        LEU  30  -0.613 -10.681   1.476
  217    HA   LEU  30           HA       LEU  30  -0.807  -7.838   1.564
  218   1HB   LEU  30          2HB       LEU  30  -3.064  -9.857   1.472
  219   2HB   LEU  30          1HB       LEU  30  -3.185  -8.152   1.054
  220    HG   LEU  30           HG       LEU  30  -1.425 -10.178  -0.356
  221   1HD1  LEU  30          1HD1      LEU  30  -3.819  -8.728  -1.496
  222   2HD1  LEU  30          2HD1      LEU  30  -3.999 -10.265  -0.654
  223   3HD1  LEU  30          3HD1      LEU  30  -3.011 -10.170  -2.112
  224   1HD2  LEU  30          1HD2      LEU  30  -0.310  -8.135  -0.670
  225   2HD2  LEU  30          2HD2      LEU  30  -1.801  -7.193  -0.612
  226   3HD2  LEU  30          3HD2      LEU  30  -1.410  -8.142  -2.046
  227    H    THR  31           H        THR  31  -1.479 -10.244   4.007
  228    HA   THR  31           HA       THR  31  -3.268  -8.744   5.657
  229    HB   THR  31           HB       THR  31  -1.098 -10.737   6.389
  230    HG1  THR  31           1HG      THR  31  -3.110 -12.010   6.696
  231   1HG2  THR  31          1HG2      THR  31  -1.544  -9.524   8.387
  232   2HG2  THR  31          2HG2      THR  31  -2.539 -10.976   8.499
  233   3HG2  THR  31          3HG2      THR  31  -3.271  -9.438   8.043
  234    H    LYS  32           H        LYS  32   0.256  -8.940   5.576
  235    HA   LYS  32           HA       LYS  32   0.690  -7.027   7.687
  236   1HB   LYS  32          2HB       LYS  32   2.338  -8.352   5.557
  237   2HB   LYS  32          1HB       LYS  32   3.051  -7.048   6.514
  238   1HG   LYS  32          2HG       LYS  32   1.613  -9.239   7.993
  239   2HG   LYS  32          1HG       LYS  32   3.176  -9.631   7.287
  240   1HD   LYS  32          2HD       LYS  32   4.188  -7.700   8.477
  241   2HD   LYS  32          1HD       LYS  32   2.621  -7.345   9.207
  242   1HE   LYS  32          2HE       LYS  32   4.240  -9.883   9.565
  243   2HE   LYS  32          1HE       LYS  32   3.954  -8.641  10.784
  244   1HZ   LYS  32          1HZ       LYS  32   1.461  -9.294   9.919
  245   2HZ   LYS  32          2HZ       LYS  32   2.190  -9.845  11.350
  246   3HZ   LYS  32          3HZ       LYS  32   2.259 -10.790   9.939
  247    H    MET  33           H        MET  33   0.241  -6.806   4.212
  248    HA   MET  33           HA       MET  33   1.262  -4.135   3.845
  249   1HB   MET  33          2HB       MET  33  -0.897  -5.692   2.413
  250   2HB   MET  33          1HB       MET  33  -0.359  -4.100   1.885
  251   1HG   MET  33          2HG       MET  33   1.985  -5.024   1.827
  252   2HG   MET  33          1HG       MET  33   1.283  -6.627   2.056
  253   1HE   MET  33          1HE       MET  33   0.698  -3.329  -0.069
  254   2HE   MET  33          2HE       MET  33   1.301  -3.940  -1.608
  255   3HE   MET  33          3HE       MET  33   2.354  -3.939  -0.197
  256    H    ARG  34           H        ARG  34  -2.116  -5.175   3.846
  257    HA   ARG  34           HA       ARG  34  -3.289  -2.680   4.226
  258   1HB   ARG  34          2HB       ARG  34  -4.420  -4.982   3.871
  259   2HB   ARG  34          1HB       ARG  34  -4.371  -5.136   5.624
  260   1HG   ARG  34          2HG       ARG  34  -5.803  -3.281   5.962
  261   2HG   ARG  34          1HG       ARG  34  -5.538  -2.657   4.341
  262   1HD   ARG  34          2HD       ARG  34  -6.651  -5.028   3.675
  263   2HD   ARG  34          1HD       ARG  34  -7.407  -4.798   5.246
  264    HE   ARG  34           HE       ARG  34  -7.791  -3.104   2.862
  265   1HH1  ARG  34          1HH2      ARG  34  -8.192  -3.586   6.261
  266   2HH1  ARG  34          2HH2      ARG  34  -9.509  -2.472   6.394
  267   1HH2  ARG  34          1HH1      ARG  34  -9.513  -1.639   3.032
  268   2HH2  ARG  34          2HH1      ARG  34 -10.253  -1.372   4.574
  269    H    ALA  35           H        ALA  35  -1.507  -4.593   6.464
  270    HA   ALA  35           HA       ALA  35  -2.428  -3.214   8.860
  271   1HB   ALA  35          1HB       ALA  35  -0.808  -4.514  10.026
  272   2HB   ALA  35          2HB       ALA  35   0.149  -4.771   8.568
  273   3HB   ALA  35          3HB       ALA  35  -1.410  -5.574   8.751
  274    H    ALA  36           H        ALA  36   0.724  -3.265   7.108
  275    HA   ALA  36           HA       ALA  36   1.694  -0.941   8.512
  276   1HB   ALA  36          1HB       ALA  36   3.415  -0.896   6.647
  277   2HB   ALA  36          2HB       ALA  36   2.565  -2.268   5.935
  278   3HB   ALA  36          3HB       ALA  36   3.309  -2.421   7.526
  279    H    ALA  37           H        ALA  37  -0.229  -1.344   5.603
  280    HA   ALA  37           HA       ALA  37   0.191   1.209   4.426
  281   1HB   ALA  37          1HB       ALA  37  -1.087  -0.365   3.171
  282   2HB   ALA  37          2HB       ALA  37  -2.231   0.902   3.614
  283   3HB   ALA  37          3HB       ALA  37  -2.216  -0.620   4.503
  284    H    LEU  38           H        LEU  38  -2.461   0.227   6.617
  285    HA   LEU  38           HA       LEU  38  -3.353   2.900   7.096
  286   1HB   LEU  38          2HB       LEU  38  -4.342   1.855   9.268
  287   2HB   LEU  38          1HB       LEU  38  -4.944   1.300   7.714
  288    HG   LEU  38           HG       LEU  38  -2.900  -0.479   8.096
  289   1HD1  LEU  38          1HD1      LEU  38  -2.502   0.577  10.374
  290   2HD1  LEU  38          2HD1      LEU  38  -2.664  -1.181  10.304
  291   3HD1  LEU  38          3HD1      LEU  38  -4.018  -0.190  10.855
  292   1HD2  LEU  38          1HD2      LEU  38  -4.601  -2.090   8.787
  293   2HD2  LEU  38          2HD2      LEU  38  -5.264  -1.012   7.559
  294   3HD2  LEU  38          3HD2      LEU  38  -5.675  -0.772   9.257
  295    H    ASP  39           H        ASP  39  -0.585   1.185   8.270
  296    HA   ASP  39           HA       ASP  39  -0.295   2.916  10.643
  297   1HB   ASP  39          2HB       ASP  39   0.573   0.483  10.404
  298   2HB   ASP  39          1HB       ASP  39   1.872   1.184   9.441
  299    H    ALA  40           H        ALA  40   1.053   2.592   7.384
  300    HA   ALA  40           HA       ALA  40   3.050   4.620   7.595
  301   1HB   ALA  40          1HB       ALA  40   2.695   2.921   5.686
  302   2HB   ALA  40          2HB       ALA  40   3.167   4.553   5.218
  303   3HB   ALA  40          3HB       ALA  40   1.485   4.044   5.071
  304    H    GLN  41           H        GLN  41  -0.397   4.832   7.425
  305    HA   GLN  41           HA       GLN  41  -0.918   7.278   6.198
  306   1HB   GLN  41          2HB       GLN  41  -2.629   5.833   7.303
  307   2HB   GLN  41          1HB       GLN  41  -2.027   6.352   8.873
  308   1HG   GLN  41          2HG       GLN  41  -2.822   8.467   6.895
  309   2HG   GLN  41          1HG       GLN  41  -4.096   7.582   7.724
  310   1HE2  GLN  41          1HE2      GLN  41  -1.729  10.091   8.081
  311   2HE2  GLN  41          2HE2      GLN  41  -1.973  10.384   9.738
  312    H    LYS  42           H        LYS  42  -0.080   6.826   9.609
  313    HA   LYS  42           HA       LYS  42   0.378   9.594  10.161
  314   1HB   LYS  42          2HB       LYS  42   1.941   7.533  11.684
  315   2HB   LYS  42          1HB       LYS  42   1.004   8.899  12.282
  316   1HG   LYS  42          2HG       LYS  42  -0.174   6.325  11.179
  317   2HG   LYS  42          1HG       LYS  42   0.031   6.681  12.878
  318   1HD   LYS  42          2HD       LYS  42  -1.451   8.724  11.277
  319   2HD   LYS  42          1HD       LYS  42  -2.269   7.192  11.571
  320   1HE   LYS  42          2HE       LYS  42  -2.646   9.044  13.309
  321   2HE   LYS  42          1HE       LYS  42  -2.172   7.464  13.928
  322   1HZ   LYS  42          1HZ       LYS  42   0.181   8.334  13.819
  323   2HZ   LYS  42          2HZ       LYS  42  -0.814   9.004  15.022
  324   3HZ   LYS  42          3HZ       LYS  42  -0.490   9.876  13.600
  325    H    ALA  43           H        ALA  43   1.629  10.010   8.073
  326    HA   ALA  43           HA       ALA  43   4.501   9.963   8.664
  327   1HB   ALA  43          1HB       ALA  43   5.190   8.672   6.748
  328   2HB   ALA  43          2HB       ALA  43   3.528   8.536   6.178
  329   3HB   ALA  43          3HB       ALA  43   4.025   7.702   7.649
  330    H    THR  44           H        THR  44   5.676  11.410   7.350
  331    HA   THR  44           HA       THR  44   4.344  12.798   5.128
  332    HB   THR  44           HB       THR  44   4.965  15.057   6.386
  333    HG1  THR  44           1HG      THR  44   4.661  14.832   8.615
  334   1HG2  THR  44          1HG2      THR  44   2.692  15.271   7.146
  335   2HG2  THR  44          2HG2      THR  44   2.504  13.526   7.265
  336   3HG2  THR  44          3HG2      THR  44   2.660  14.290   5.683
  337    HA   PRO  45           HA       PRO  45   8.953  11.969   4.880
  338   1HB   PRO  45          2HB       PRO  45   8.123  12.053   2.005
  339   2HB   PRO  45          1HB       PRO  45   9.227  10.942   2.831
  340   1HG   PRO  45          2HG       PRO  45   6.721  10.230   2.179
  341   2HG   PRO  45          1HG       PRO  45   7.528   9.624   3.631
  342   1HD   PRO  45          2HD       PRO  45   5.314  11.597   3.412
  343   2HD   PRO  45          1HD       PRO  45   5.745  10.540   4.767
  344    HA   PRO  46           HA       PRO  46   9.365  16.079   2.625
  345   1HB   PRO  46          2HB       PRO  46   7.257  17.263   1.389
  346   2HB   PRO  46          1HB       PRO  46   8.127  15.897   0.669
  347   1HG   PRO  46          2HG       PRO  46   5.423  15.980   1.809
  348   2HG   PRO  46          1HG       PRO  46   6.151  14.775   0.734
  349   1HD   PRO  46          2HD       PRO  46   5.858  14.680   3.647
  350   2HD   PRO  46          1HD       PRO  46   6.371  13.394   2.547
  351    H    LYS  47           H        LYS  47   6.155  17.393   2.969
  352    HA   LYS  47           HA       LYS  47   6.298  18.215   5.709
  353   1HB   LYS  47          2HB       LYS  47   6.680  20.747   5.024
  354   2HB   LYS  47          1HB       LYS  47   8.059  19.696   5.310
  355   1HG   LYS  47          2HG       LYS  47   8.501  19.425   3.013
  356   2HG   LYS  47          1HG       LYS  47   6.880  19.937   2.544
  357   1HD   LYS  47          2HD       LYS  47   7.350  22.223   3.113
  358   2HD   LYS  47          1HD       LYS  47   8.863  21.781   3.904
  359   1HE   LYS  47          2HE       LYS  47   9.434  22.667   1.741
  360   2HE   LYS  47          1HE       LYS  47   9.670  20.921   1.658
  361   1HZ   LYS  47          1HZ       LYS  47   8.303  20.947  -0.071
  362   2HZ   LYS  47          2HZ       LYS  47   7.874  22.570   0.191
  363   3HZ   LYS  47          3HZ       LYS  47   7.038  21.328   0.994
  364    H    LEU  48           H        LEU  48   4.076  17.959   5.838
  365    HA   LEU  48           HA       LEU  48   2.330  19.137   3.790
  366   1HB   LEU  48          2HB       LEU  48   2.084  17.126   5.838
  367   2HB   LEU  48          1HB       LEU  48   0.870  18.351   6.174
  368    HG   LEU  48           HG       LEU  48   1.226  17.140   3.423
  369   1HD1  LEU  48          1HD1      LEU  48  -0.842  15.801   4.090
  370   2HD1  LEU  48          2HD1      LEU  48  -0.476  16.242   5.758
  371   3HD1  LEU  48          3HD1      LEU  48   0.674  15.283   4.827
  372   1HD2  LEU  48          1HD2      LEU  48  -1.113  17.962   3.170
  373   2HD2  LEU  48          2HD2      LEU  48   0.011  19.273   3.521
  374   3HD2  LEU  48          3HD2      LEU  48  -1.030  18.641   4.796
  375    H    GLU  49           H        GLU  49   0.340  20.440   5.030
  376    HA   GLU  49           HA       GLU  49  -0.142  22.577   5.888
  377   1HB   GLU  49          2HB       GLU  49   1.985  22.041   7.968
  378   2HB   GLU  49          1HB       GLU  49   0.470  22.924   8.150
  379   1HG   GLU  49          2HG       GLU  49  -0.717  20.718   7.653
  380   2HG   GLU  49          1HG       GLU  49   0.853  19.942   7.861
  381    H    ASP  50           H        ASP  50   2.184  22.090   4.028
  382    HA   ASP  50           HA       ASP  50   3.373  24.798   4.277
  383   1HB   ASP  50          2HB       ASP  50   4.934  22.202   4.241
  384   2HB   ASP  50          1HB       ASP  50   5.644  23.720   3.684
  385    H    LYS  51           H        LYS  51   3.569  21.807   2.317
  386    HA   LYS  51           HA       LYS  51   3.975  23.276  -0.125
  387   1HB   LYS  51          2HB       LYS  51   3.808  21.169  -1.222
  388   2HB   LYS  51          1HB       LYS  51   4.572  20.841   0.319
  389   1HG   LYS  51          2HG       LYS  51   2.519  19.985   1.251
  390   2HG   LYS  51          1HG       LYS  51   1.591  20.515  -0.145
  391   1HD   LYS  51          2HD       LYS  51   1.974  18.158  -0.403
  392   2HD   LYS  51          1HD       LYS  51   2.986  18.998  -1.577
  393   1HE   LYS  51          2HE       LYS  51   4.954  18.629  -0.316
  394   2HE   LYS  51          1HE       LYS  51   4.048  18.233   1.144
  395   1HZ   LYS  51          1HZ       LYS  51   4.890  16.521  -0.940
  396   2HZ   LYS  51          2HZ       LYS  51   3.197  16.474  -0.812
  397   3HZ   LYS  51          3HZ       LYS  51   4.164  16.121   0.539
  398    H    SER  52           H        SER  52   2.036  22.194  -1.884
  399    HA   SER  52           HA       SER  52  -0.178  23.974  -1.323
  400   1HB   SER  52          2HB       SER  52   0.764  23.398  -3.628
  401   2HB   SER  52          1HB       SER  52  -0.081  21.860  -3.478
  402    HG   SER  52           HG       SER  52  -2.010  22.951  -3.362
  403    HA   PRO  53           HA       PRO  53  -2.291  20.534   0.826
  404   1HB   PRO  53          2HB       PRO  53  -4.178  21.924   2.103
  405   2HB   PRO  53          1HB       PRO  53  -2.468  22.147   2.543
  406   1HG   PRO  53          2HG       PRO  53  -4.169  23.813   0.715
  407   2HG   PRO  53          1HG       PRO  53  -3.142  24.341   2.073
  408   1HD   PRO  53          2HD       PRO  53  -2.294  24.408  -0.529
  409   2HD   PRO  53          1HD       PRO  53  -1.177  24.141   0.831
  410    H    ASP  54           H        ASP  54  -3.432  22.583  -1.614
  411    HA   ASP  54           HA       ASP  54  -5.124  22.446  -3.166
  412   1HB   ASP  54          2HB       ASP  54  -4.478  20.226  -3.679
  413   2HB   ASP  54          1HB       ASP  54  -5.139  19.586  -2.184
  414    H    SER  55           H        SER  55  -5.844  21.669   0.146
  415    HA   SER  55           HA       SER  55  -7.524  22.824   1.369
  416   1HB   SER  55          2HB       SER  55  -8.193  24.044  -0.774
  417   2HB   SER  55          1HB       SER  55  -9.388  22.763  -0.991
  418    HG   SER  55           HG       SER  55  -9.924  24.781   0.284
  419    HA   PRO  56           HA       PRO  56 -10.570  18.888   0.485
  420   1HB   PRO  56          2HB       PRO  56  -8.090  17.194   0.511
  421   2HB   PRO  56          1HB       PRO  56  -9.678  16.847  -0.209
  422   1HG   PRO  56          2HG       PRO  56  -7.669  17.658  -1.723
  423   2HG   PRO  56          1HG       PRO  56  -9.308  18.278  -2.001
  424   1HD   PRO  56          2HD       PRO  56  -6.957  19.670  -0.789
  425   2HD   PRO  56          1HD       PRO  56  -8.323  20.338  -1.715
  426    H    GLU  57           H        GLU  57  -9.369  20.371   2.813
  427    HA   GLU  57           HA       GLU  57  -9.008  20.049   5.123
  428   1HB   GLU  57          2HB       GLU  57 -11.388  19.084   4.656
  429   2HB   GLU  57          1HB       GLU  57 -10.618  17.505   4.808
  430   1HG   GLU  57          2HG       GLU  57  -9.786  18.137   7.056
  431   2HG   GLU  57          1HG       GLU  57 -10.591  19.700   6.904
  432    H    MET  58           H        MET  58  -7.310  18.726   3.025
  433    HA   MET  58           HA       MET  58  -5.437  17.366   2.976
  434   1HB   MET  58          2HB       MET  58  -5.821  16.720   5.896
  435   2HB   MET  58          1HB       MET  58  -4.339  16.908   4.974
  436   1HG   MET  58          2HG       MET  58  -4.231  18.986   5.904
  437   2HG   MET  58          1HG       MET  58  -5.464  19.438   4.724
  438   1HE   MET  58          1HE       MET  58  -4.763  20.667   7.731
  439   2HE   MET  58          2HE       MET  58  -6.402  21.182   8.117
  440   3HE   MET  58          3HE       MET  58  -5.787  21.385   6.480
  441    H    LYS  59           H        LYS  59  -8.519  16.467   3.681
  442    HA   LYS  59           HA       LYS  59  -8.518  13.749   4.350
  443   1HB   LYS  59          2HB       LYS  59 -10.506  15.274   3.970
  444   2HB   LYS  59          1HB       LYS  59 -10.239  15.057   2.238
  445   1HG   LYS  59          2HG       LYS  59 -10.373  12.498   3.758
  446   2HG   LYS  59          1HG       LYS  59 -11.866  13.429   3.809
  447   1HD   LYS  59          2HD       LYS  59 -12.009  13.476   1.402
  448   2HD   LYS  59          1HD       LYS  59 -10.399  12.772   1.239
  449   1HE   LYS  59          2HE       LYS  59 -12.512  11.217   1.035
  450   2HE   LYS  59          1HE       LYS  59 -11.107  10.655   1.942
  451   1HZ   LYS  59          1HZ       LYS  59 -13.471  12.005   3.129
  452   2HZ   LYS  59          2HZ       LYS  59 -12.140  11.377   3.977
  453   3HZ   LYS  59          3HZ       LYS  59 -13.194  10.332   3.152
  454    H    ASP  60           H        ASP  60  -8.106  15.296   1.194
  455    HA   ASP  60           HA       ASP  60  -8.052  12.986  -0.415
  456   1HB   ASP  60          2HB       ASP  60  -8.112  15.130  -1.447
  457   2HB   ASP  60          1HB       ASP  60  -6.651  15.662  -0.621
  458    H    PHE  61           H        PHE  61  -5.866  14.068   1.983
  459    HA   PHE  61           HA       PHE  61  -3.489  12.684   1.035
  460   1HB   PHE  61          2HB       PHE  61  -3.628  14.642   2.724
  461   2HB   PHE  61          1HB       PHE  61  -4.086  13.422   3.910
  462    HD1  PHE  61           1HD      PHE  61  -1.455  14.428   1.518
  463    HD2  PHE  61           2HD      PHE  61  -2.458  11.947   4.861
  464    HE1  PHE  61           1HE      PHE  61   0.950  13.856   1.804
  465    HE2  PHE  61           2HE      PHE  61  -0.064  11.363   5.153
  466    HZ   PHE  61           HZ       PHE  61   1.642  12.319   3.623
  467    H    ARG  62           H        ARG  62  -5.560  12.110   3.878
  468    HA   ARG  62           HA       ARG  62  -4.631   9.437   4.299
  469   1HB   ARG  62          2HB       ARG  62  -7.083   9.381   5.493
  470   2HB   ARG  62          1HB       ARG  62  -5.674  10.103   6.238
  471   1HG   ARG  62          2HG       ARG  62  -7.288  11.814   4.398
  472   2HG   ARG  62          1HG       ARG  62  -7.959  11.440   5.956
  473   1HD   ARG  62          2HD       ARG  62  -6.238  13.543   5.457
  474   2HD   ARG  62          1HD       ARG  62  -6.587  12.872   7.040
  475    HE   ARG  62           HE       ARG  62  -4.333  11.632   5.550
  476   1HH1  ARG  62          1HH2      ARG  62  -5.474  13.773   8.027
  477   2HH1  ARG  62          2HH2      ARG  62  -3.974  13.763   8.887
  478   1HH2  ARG  62          1HH1      ARG  62  -2.389  11.629   6.669
  479   2HH2  ARG  62          2HH1      ARG  62  -2.235  12.557   8.123
  480    H    HIS  63           H        HIS  63  -7.195  10.770   2.316
  481    HA   HIS  63           HA       HIS  63  -8.672   8.394   1.759
  482   1HB   HIS  63          2HB       HIS  63  -8.965  10.916   0.909
  483   2HB   HIS  63          1HB       HIS  63  -8.066  10.323  -0.485
  484    HD1  HIS  63           1HD      HIS  63 -10.595   8.396   1.564
  485    HD2  HIS  63           2HD      HIS  63 -10.182   9.932  -2.286
  486    HE1  HIS  63           1HE      HIS  63 -12.548   7.521   0.242
  487    H    GLY  64           H        GLY  64  -5.610   9.581   0.393
  488   1HA   GLY  64          2HA       GLY  64  -5.438   7.474  -1.553
  489   2HA   GLY  64          1HA       GLY  64  -4.070   8.406  -0.936
  490    H    PHE  65           H        PHE  65  -4.558   7.756   1.865
  491    HA   PHE  65           HA       PHE  65  -3.335   5.072   1.886
  492   1HB   PHE  65          2HB       PHE  65  -3.967   7.063   4.078
  493   2HB   PHE  65          1HB       PHE  65  -3.277   5.468   4.392
  494    HD1  PHE  65           1HD      PHE  65  -2.536   8.837   3.535
  495    HD2  PHE  65           2HD      PHE  65  -1.155   4.818   3.007
  496    HE1  PHE  65           1HE      PHE  65  -0.297   9.695   2.937
  497    HE2  PHE  65           2HE      PHE  65   1.095   5.673   2.398
  498    HZ   PHE  65           HZ       PHE  65   1.515   8.121   2.357
  499    H    ASP  66           H        ASP  66  -6.409   6.594   2.681
  500    HA   ASP  66           HA       ASP  66  -7.536   4.228   3.932
  501   1HB   ASP  66          2HB       ASP  66  -8.363   6.743   4.023
  502   2HB   ASP  66          1HB       ASP  66  -9.228   6.310   2.550
  503    H    ILE  67           H        ILE  67  -7.619   5.738   0.724
  504    HA   ILE  67           HA       ILE  67  -9.238   3.745  -0.517
  505    HB   ILE  67           HB       ILE  67  -7.124   5.603  -1.671
  506   1HG1  ILE  67          2HG1      ILE  67  -9.373   6.460  -0.583
  507   2HG1  ILE  67          1HG1      ILE  67  -8.866   7.103  -2.141
  508   1HG2  ILE  67          1HG2      ILE  67  -8.402   5.099  -3.854
  509   2HG2  ILE  67          2HG2      ILE  67  -9.023   3.678  -3.015
  510   3HG2  ILE  67          3HG2      ILE  67  -7.287   3.865  -3.265
  511   1HD1  ILE  67          1HD1      ILE  67 -10.624   4.667  -2.120
  512   2HD1  ILE  67          2HD1      ILE  67 -10.512   5.959  -3.311
  513   3HD1  ILE  67          3HD1      ILE  67 -11.348   6.236  -1.786
  514    H    LEU  68           H        LEU  68  -5.775   3.984   0.068
  515    HA   LEU  68           HA       LEU  68  -4.814   1.899  -1.561
  516   1HB   LEU  68          2HB       LEU  68  -3.279   3.279  -0.261
  517   2HB   LEU  68          1HB       LEU  68  -4.023   2.727   1.242
  518    HG   LEU  68           HG       LEU  68  -3.113   0.559   1.048
  519   1HD1  LEU  68          1HD1      LEU  68  -1.727  -0.030  -1.054
  520   2HD1  LEU  68          2HD1      LEU  68  -2.573   1.307  -1.824
  521   3HD1  LEU  68          3HD1      LEU  68  -3.482  -0.073  -1.205
  522   1HD2  LEU  68          1HD2      LEU  68  -1.044   2.533   0.038
  523   2HD2  LEU  68          2HD2      LEU  68  -0.682   0.979   0.789
  524   3HD2  LEU  68          3HD2      LEU  68  -1.469   2.249   1.727
  525    H    VAL  69           H        VAL  69  -5.641   1.661   1.865
  526    HA   VAL  69           HA       VAL  69  -5.566  -1.138   2.037
  527    HB   VAL  69           HB       VAL  69  -6.976  -0.852   4.043
  528   1HG1  VAL  69          1HG1      VAL  69  -4.525  -0.502   4.107
  529   2HG1  VAL  69          2HG1      VAL  69  -5.370   0.497   5.289
  530   3HG1  VAL  69          3HG1      VAL  69  -4.790   1.211   3.783
  531   1HG2  VAL  69          1HG2      VAL  69  -6.974   2.080   3.423
  532   2HG2  VAL  69          2HG2      VAL  69  -7.811   1.261   4.732
  533   3HG2  VAL  69          3HG2      VAL  69  -8.349   1.036   3.070
  534    H    GLY  70           H        GLY  70  -7.854   0.814   0.429
  535   1HA   GLY  70          2HA       GLY  70 -10.128  -0.978   0.770
  536   2HA   GLY  70          1HA       GLY  70 -10.030   0.354  -0.369
  537    H    GLN  71           H        GLN  71  -8.027  -0.284  -2.110
  538    HA   GLN  71           HA       GLN  71  -9.201  -2.481  -3.569
  539   1HB   GLN  71          2HB       GLN  71  -7.697  -1.977  -5.290
  540   2HB   GLN  71          1HB       GLN  71  -7.848  -0.433  -4.469
  541   1HG   GLN  71          2HG       GLN  71  -5.528  -0.707  -4.797
  542   2HG   GLN  71          1HG       GLN  71  -5.780  -1.133  -3.116
  543   1HE2  GLN  71          1HE2      GLN  71  -7.047  -3.579  -5.139
  544   2HE2  GLN  71          2HE2      GLN  71  -5.727  -4.638  -5.079
  545    H    ILE  72           H        ILE  72  -6.621  -2.194  -1.261
  546    HA   ILE  72           HA       ILE  72  -5.528  -4.840  -1.757
  547    HB   ILE  72           HB       ILE  72  -5.292  -2.811   0.468
  548   1HG1  ILE  72          2HG1      ILE  72  -3.188  -4.239  -1.164
  549   2HG1  ILE  72          1HG1      ILE  72  -3.925  -2.717  -1.660
  550   1HG2  ILE  72          1HG2      ILE  72  -4.388  -5.702   0.543
  551   2HG2  ILE  72          2HG2      ILE  72  -5.363  -4.848   1.736
  552   3HG2  ILE  72          3HG2      ILE  72  -3.658  -4.456   1.553
  553   1HD1  ILE  72          1HD1      ILE  72  -3.164  -1.685   0.463
  554   2HD1  ILE  72          2HD1      ILE  72  -1.809  -2.293  -0.488
  555   3HD1  ILE  72          3HD1      ILE  72  -2.386  -3.202   0.908
  556    H    ASP  73           H        ASP  73  -8.169  -3.480   0.162
  557    HA   ASP  73           HA       ASP  73  -8.626  -5.707   1.877
  558   1HB   ASP  73          2HB       ASP  73  -9.831  -3.596   2.180
  559   2HB   ASP  73          1HB       ASP  73 -10.665  -3.832   0.644
  560    H    ASP  74           H        ASP  74 -10.070  -5.014  -1.317
  561    HA   ASP  74           HA       ASP  74 -11.477  -7.508  -1.517
  562   1HB   ASP  74          2HB       ASP  74 -10.401  -5.774  -3.769
  563   2HB   ASP  74          1HB       ASP  74 -11.704  -6.954  -3.887
  564    H    ALA  75           H        ALA  75  -8.148  -6.572  -2.301
  565    HA   ALA  75           HA       ALA  75  -7.601  -9.022  -3.746
  566   1HB   ALA  75          1HB       ALA  75  -6.265  -6.821  -3.885
  567   2HB   ALA  75          2HB       ALA  75  -5.321  -8.306  -3.782
  568   3HB   ALA  75          3HB       ALA  75  -5.538  -7.298  -2.351
  569    H    LEU  76           H        LEU  76  -7.517  -7.998  -0.385
  570    HA   LEU  76           HA       LEU  76  -5.947 -10.072   0.702
  571   1HB   LEU  76          2HB       LEU  76  -7.480  -7.959   1.680
  572   2HB   LEU  76          1HB       LEU  76  -8.410  -9.343   2.217
  573    HG   LEU  76           HG       LEU  76  -5.916 -10.167   2.950
  574   1HD1  LEU  76          1HD1      LEU  76  -5.189  -7.748   2.107
  575   2HD1  LEU  76          2HD1      LEU  76  -4.454  -8.462   3.540
  576   3HD1  LEU  76          3HD1      LEU  76  -5.740  -7.266   3.708
  577   1HD2  LEU  76          1HD2      LEU  76  -7.670  -8.302   4.580
  578   2HD2  LEU  76          2HD2      LEU  76  -6.481  -9.431   5.229
  579   3HD2  LEU  76          3HD2      LEU  76  -7.918 -10.040   4.407
  580    H    LYS  77           H        LYS  77  -9.228  -9.894  -0.469
  581    HA   LYS  77           HA       LYS  77 -10.158 -12.445   0.412
  582   1HB   LYS  77          2HB       LYS  77 -11.504 -10.421  -0.430
  583   2HB   LYS  77          1HB       LYS  77 -11.049 -10.941  -2.057
  584   1HG   LYS  77          2HG       LYS  77 -13.083 -12.051  -1.764
  585   2HG   LYS  77          1HG       LYS  77 -11.913 -13.273  -1.274
  586   1HD   LYS  77          2HD       LYS  77 -12.297 -12.025   1.127
  587   2HD   LYS  77          1HD       LYS  77 -13.869 -11.743   0.386
  588   1HE   LYS  77          2HE       LYS  77 -13.888 -14.260  -0.149
  589   2HE   LYS  77          1HE       LYS  77 -12.511 -14.396   0.950
  590   1HZ   LYS  77          1HZ       LYS  77 -14.521 -14.805   2.156
  591   2HZ   LYS  77          2HZ       LYS  77 -15.219 -13.360   1.602
  592   3HZ   LYS  77          3HZ       LYS  77 -13.895 -13.314   2.664
  593    H    LEU  78           H        LEU  78  -8.801 -11.304  -2.687
  594    HA   LEU  78           HA       LEU  78  -9.033 -13.761  -4.072
  595   1HB   LEU  78          2HB       LEU  78  -7.406 -11.272  -4.351
  596   2HB   LEU  78          1HB       LEU  78  -6.785 -12.688  -5.212
  597    HG   LEU  78           HG       LEU  78  -8.998 -12.993  -6.288
  598   1HD1  LEU  78          1HD1      LEU  78  -9.668 -10.582  -4.592
  599   2HD1  LEU  78          2HD1      LEU  78 -10.542 -12.108  -4.731
  600   3HD1  LEU  78          3HD1      LEU  78 -10.575 -10.950  -6.060
  601   1HD2  LEU  78          1HD2      LEU  78  -7.106 -11.377  -7.141
  602   2HD2  LEU  78          2HD2      LEU  78  -8.232 -10.098  -6.698
  603   3HD2  LEU  78          3HD2      LEU  78  -8.695 -11.301  -7.899
  604    H    ALA  79           H        ALA  79  -6.660 -12.616  -1.765
  605    HA   ALA  79           HA       ALA  79  -4.736 -14.711  -2.137
  606   1HB   ALA  79          1HB       ALA  79  -3.832 -13.997  -0.034
  607   2HB   ALA  79          2HB       ALA  79  -5.382 -13.355   0.496
  608   3HB   ALA  79          3HB       ALA  79  -4.484 -12.541  -0.781
  609    H    ASN  80           H        ASN  80  -7.445 -14.334   0.156
  610    HA   ASN  80           HA       ASN  80  -7.116 -16.995   1.236
  611   1HB   ASN  80          2HB       ASN  80  -8.286 -14.797   2.216
  612   2HB   ASN  80          1HB       ASN  80  -9.729 -15.544   1.527
  613   1HD2  ASN  80          1HD2      ASN  80  -6.829 -16.647   3.359
  614   2HD2  ASN  80          2HD2      ASN  80  -7.679 -17.669   4.378
  615    H    GLU  81           H        GLU  81  -8.610 -15.878  -1.655
  616    HA   GLU  81           HA       GLU  81 -10.528 -18.148  -1.725
  617   1HB   GLU  81          2HB       GLU  81 -10.016 -15.768  -3.498
  618   2HB   GLU  81          1HB       GLU  81 -11.000 -17.114  -4.064
  619   1HG   GLU  81          2HG       GLU  81 -12.489 -16.858  -2.130
  620   2HG   GLU  81          1HG       GLU  81 -11.494 -15.537  -1.525
  621    H    GLY  82           H        GLY  82  -7.296 -17.561  -2.595
  622   1HA   GLY  82          2HA       GLY  82  -5.872 -19.309  -3.442
  623   2HA   GLY  82          1HA       GLY  82  -7.274 -20.088  -4.164
  624    H    LYS  83           H        LYS  83  -7.094 -16.694  -4.664
  625    HA   LYS  83           HA       LYS  83  -6.382 -17.180  -7.521
  626   1HB   LYS  83          2HB       LYS  83  -7.279 -14.512  -6.475
  627   2HB   LYS  83          1HB       LYS  83  -7.514 -15.216  -8.062
  628   1HG   LYS  83          2HG       LYS  83  -8.902 -16.043  -5.526
  629   2HG   LYS  83          1HG       LYS  83  -9.615 -15.195  -6.886
  630   1HD   LYS  83          2HD       LYS  83  -8.963 -17.158  -8.345
  631   2HD   LYS  83          1HD       LYS  83  -8.522 -18.021  -6.876
  632   1HE   LYS  83          2HE       LYS  83 -10.730 -18.257  -6.192
  633   2HE   LYS  83          1HE       LYS  83 -11.260 -16.790  -7.011
  634   1HZ   LYS  83          1HZ       LYS  83 -10.874 -17.961  -9.140
  635   2HZ   LYS  83          2HZ       LYS  83 -12.104 -18.653  -8.194
  636   3HZ   LYS  83          3HZ       LYS  83 -10.572 -19.386  -8.270
  637    H    VAL  84           H        VAL  84  -4.158 -17.524  -6.796
  638    HA   VAL  84           HA       VAL  84  -2.579 -15.378  -5.666
  639    HB   VAL  84           HB       VAL  84  -1.590 -17.800  -7.197
  640   1HG1  VAL  84          1HG1      VAL  84  -0.344 -15.894  -5.204
  641   2HG1  VAL  84          2HG1      VAL  84   0.175 -16.217  -6.857
  642   3HG1  VAL  84          3HG1      VAL  84   0.371 -17.452  -5.613
  643   1HG2  VAL  84          1HG2      VAL  84  -2.905 -18.763  -5.510
  644   2HG2  VAL  84          2HG2      VAL  84  -2.576 -17.459  -4.373
  645   3HG2  VAL  84          3HG2      VAL  84  -1.326 -18.650  -4.733
  646    H    LYS  85           H        LYS  85  -2.521 -16.839  -8.939
  647    HA   LYS  85           HA       LYS  85  -0.866 -14.946 -10.164
  648   1HB   LYS  85          2HB       LYS  85  -3.318 -16.336 -11.298
  649   2HB   LYS  85          1HB       LYS  85  -2.171 -15.423 -12.273
  650   1HG   LYS  85          2HG       LYS  85  -1.131 -17.461 -12.514
  651   2HG   LYS  85          1HG       LYS  85  -0.440 -17.082 -10.942
  652   1HD   LYS  85          2HD       LYS  85  -2.524 -18.242  -9.945
  653   2HD   LYS  85          1HD       LYS  85  -2.810 -18.856 -11.567
  654   1HE   LYS  85          2HE       LYS  85  -0.154 -19.220 -10.159
  655   2HE   LYS  85          1HE       LYS  85  -1.473 -20.375 -10.000
  656   1HZ   LYS  85          1HZ       LYS  85  -0.471 -21.253 -11.804
  657   2HZ   LYS  85          2HZ       LYS  85   0.200 -19.775 -12.308
  658   3HZ   LYS  85          3HZ       LYS  85  -1.434 -20.121 -12.620
  659    H    GLU  86           H        GLU  86  -4.282 -14.705  -9.329
  660    HA   GLU  86           HA       GLU  86  -4.715 -12.147 -10.615
  661   1HB   GLU  86          2HB       GLU  86  -6.231 -13.380  -8.291
  662   2HB   GLU  86          1HB       GLU  86  -6.783 -12.072  -9.333
  663   1HG   GLU  86          2HG       GLU  86  -7.821 -14.125 -10.109
  664   2HG   GLU  86          1HG       GLU  86  -6.640 -13.600 -11.305
  665    H    ALA  87           H        ALA  87  -4.088 -13.204  -7.252
  666    HA   ALA  87           HA       ALA  87  -4.033 -10.552  -6.170
  667   1HB   ALA  87          1HB       ALA  87  -4.150 -12.699  -4.832
  668   2HB   ALA  87          2HB       ALA  87  -2.970 -11.536  -4.231
  669   3HB   ALA  87          3HB       ALA  87  -2.435 -12.926  -5.173
  670    H    GLN  88           H        GLN  88  -1.550 -12.653  -7.474
  671    HA   GLN  88           HA       GLN  88   0.721 -10.989  -7.063
  672   1HB   GLN  88          2HB       GLN  88   1.354 -13.118  -7.676
  673   2HB   GLN  88          1HB       GLN  88  -0.064 -13.353  -8.677
  674   1HG   GLN  88          2HG       GLN  88   0.901 -12.368 -10.554
  675   2HG   GLN  88          1HG       GLN  88   2.083 -11.504  -9.590
  676   1HE2  GLN  88          1HE2      GLN  88   1.366 -14.927  -9.017
  677   2HE2  GLN  88          2HE2      GLN  88   2.848 -15.516  -9.547
  678    H    ALA  89           H        ALA  89  -1.136 -11.498 -10.087
  679    HA   ALA  89           HA       ALA  89  -0.054  -9.417 -11.604
  680   1HB   ALA  89          1HB       ALA  89  -1.780 -11.104 -12.374
  681   2HB   ALA  89          2HB       ALA  89  -2.082  -9.452 -12.915
  682   3HB   ALA  89          3HB       ALA  89  -3.002 -10.120 -11.567
  683    H    ALA  90           H        ALA  90  -2.569  -9.233  -9.094
  684    HA   ALA  90           HA       ALA  90  -3.204  -6.449  -9.489
  685   1HB   ALA  90          1HB       ALA  90  -4.496  -8.101  -8.031
  686   2HB   ALA  90          2HB       ALA  90  -4.181  -6.537  -7.281
  687   3HB   ALA  90          3HB       ALA  90  -3.205  -7.939  -6.841
  688    H    ALA  91           H        ALA  91  -0.717  -8.189  -7.694
  689    HA   ALA  91           HA       ALA  91   0.463  -6.197  -6.148
  690   1HB   ALA  91          1HB       ALA  91   1.223  -8.656  -6.560
  691   2HB   ALA  91          2HB       ALA  91   2.459  -7.446  -6.214
  692   3HB   ALA  91          3HB       ALA  91   2.186  -7.978  -7.873
  693    H    GLU  92           H        GLU  92   0.988  -6.778  -9.650
  694    HA   GLU  92           HA       GLU  92   2.750  -4.552 -10.022
  695   1HB   GLU  92          2HB       GLU  92   0.849  -5.896 -11.976
  696   2HB   GLU  92          1HB       GLU  92   2.084  -4.724 -12.430
  697   1HG   GLU  92          2HG       GLU  92   3.294  -6.678 -12.768
  698   2HG   GLU  92          1HG       GLU  92   3.675  -6.401 -11.071
  699    H    GLN  93           H        GLN  93  -0.731  -4.825  -9.721
  700    HA   GLN  93           HA       GLN  93  -1.313  -2.175 -10.761
  701   1HB   GLN  93          2HB       GLN  93  -2.956  -4.178 -10.419
  702   2HB   GLN  93          1HB       GLN  93  -2.989  -3.696  -8.730
  703   1HG   GLN  93          2HG       GLN  93  -3.472  -1.493 -10.692
  704   2HG   GLN  93          1HG       GLN  93  -4.719  -2.730 -10.604
  705   1HE2  GLN  93          1HE2      GLN  93  -2.692  -1.466  -7.892
  706   2HE2  GLN  93          2HE2      GLN  93  -4.003  -0.877  -6.986
  707    H    LEU  94           H        LEU  94  -0.720  -3.674  -7.621
  708    HA   LEU  94           HA       LEU  94  -1.114  -1.337  -6.030
  709   1HB   LEU  94          2HB       LEU  94   0.414  -3.904  -5.660
  710   2HB   LEU  94          1HB       LEU  94   0.565  -2.617  -4.467
  711    HG   LEU  94           HG       LEU  94  -1.974  -2.607  -4.325
  712   1HD1  LEU  94          1HD1      LEU  94  -2.507  -3.754  -6.409
  713   2HD1  LEU  94          2HD1      LEU  94  -3.059  -4.756  -5.068
  714   3HD1  LEU  94          3HD1      LEU  94  -1.573  -5.156  -5.905
  715   1HD2  LEU  94          1HD2      LEU  94  -0.825  -3.633  -2.522
  716   2HD2  LEU  94          2HD2      LEU  94  -0.317  -4.998  -3.515
  717   3HD2  LEU  94          3HD2      LEU  94  -2.000  -4.841  -3.035
  718    H    LYS  95           H        LYS  95   1.735  -2.730  -7.625
  719    HA   LYS  95           HA       LYS  95   3.676  -0.867  -6.726
  720   1HB   LYS  95          2HB       LYS  95   3.423  -2.308  -9.390
  721   2HB   LYS  95          1HB       LYS  95   4.861  -1.428  -8.872
  722   1HG   LYS  95          2HG       LYS  95   4.428  -3.060  -6.683
  723   2HG   LYS  95          1HG       LYS  95   3.842  -4.083  -7.986
  724   1HD   LYS  95          2HD       LYS  95   6.196  -4.539  -7.644
  725   2HD   LYS  95          1HD       LYS  95   6.007  -3.716  -9.190
  726   1HE   LYS  95          2HE       LYS  95   7.103  -1.817  -8.455
  727   2HE   LYS  95          1HE       LYS  95   6.473  -1.959  -6.812
  728   1HZ   LYS  95          1HZ       LYS  95   8.953  -2.813  -7.828
  729   2HZ   LYS  95          2HZ       LYS  95   8.093  -4.169  -7.274
  730   3HZ   LYS  95          3HZ       LYS  95   8.388  -2.862  -6.230
  731    H    THR  96           H        THR  96   1.371  -0.699  -9.432
  732    HA   THR  96           HA       THR  96   2.317   1.837 -10.432
  733    HB   THR  96           HB       THR  96  -0.511   0.778 -10.656
  734    HG1  THR  96           1HG      THR  96   0.235  -0.378 -12.429
  735   1HG2  THR  96          1HG2      THR  96   1.236   2.528 -12.405
  736   2HG2  THR  96          2HG2      THR  96  -0.190   3.035 -11.498
  737   3HG2  THR  96          3HG2      THR  96  -0.361   1.937 -12.867
  738    H    THR  97           H        THR  97   0.052   0.882  -7.905
  739    HA   THR  97           HA       THR  97  -1.173   3.430  -7.531
  740    HB   THR  97           HB       THR  97  -0.974   0.917  -6.045
  741    HG1  THR  97           1HG      THR  97  -2.848   2.941  -6.521
  742   1HG2  THR  97          1HG2      THR  97  -1.701   1.958  -3.867
  743   2HG2  THR  97          2HG2      THR  97  -1.161   3.511  -4.500
  744   3HG2  THR  97          3HG2      THR  97   0.000   2.204  -4.256
  745    H    ILE  98           H        ILE  98   1.790   1.952  -6.230
  746    HA   ILE  98           HA       ILE  98   2.596   3.987  -4.462
  747    HB   ILE  98           HB       ILE  98   4.435   2.455  -6.317
  748   1HG1  ILE  98          2HG1      ILE  98   3.358   1.660  -3.592
  749   2HG1  ILE  98          1HG1      ILE  98   2.861   0.948  -5.123
  750   1HG2  ILE  98          1HG2      ILE  98   5.411   4.351  -4.982
  751   2HG2  ILE  98          2HG2      ILE  98   6.088   2.779  -4.567
  752   3HG2  ILE  98          3HG2      ILE  98   4.887   3.526  -3.515
  753   1HD1  ILE  98          1HD1      ILE  98   5.307   0.381  -5.525
  754   2HD1  ILE  98          2HD1      ILE  98   4.529  -0.513  -4.219
  755   3HD1  ILE  98          3HD1      ILE  98   5.598   0.838  -3.846
  756    H    ARG  99           H        ARG  99   2.726   3.795  -7.977
  757    HA   ARG  99           HA       ARG  99   4.455   5.998  -8.436
  758   1HB   ARG  99          2HB       ARG  99   3.450   4.364 -10.166
  759   2HB   ARG  99          1HB       ARG  99   2.032   5.410 -10.147
  760   1HG   ARG  99          2HG       ARG  99   3.239   6.407 -11.871
  761   2HG   ARG  99          1HG       ARG  99   3.843   7.337 -10.499
  762   1HD   ARG  99          2HD       ARG  99   5.673   5.472 -10.354
  763   2HD   ARG  99          1HD       ARG  99   5.190   5.102 -12.009
  764    HE   ARG  99           HE       ARG  99   5.727   7.937 -11.601
  765   1HH1  ARG  99          1HH2      ARG  99   7.027   4.806 -12.227
  766   2HH1  ARG  99          2HH2      ARG  99   8.431   5.406 -13.046
  767   1HH2  ARG  99          1HH1      ARG  99   7.552   8.739 -12.666
  768   2HH2  ARG  99          2HH1      ARG  99   8.727   7.634 -13.293
  769    H    ALA 100           H        ALA 100   0.926   5.860  -7.989
  770    HA   ALA 100           HA       ALA 100   0.472   8.684  -8.244
  771   1HB   ALA 100          1HB       ALA 100  -1.699   8.247  -7.295
  772   2HB   ALA 100          2HB       ALA 100  -1.135   6.749  -6.556
  773   3HB   ALA 100          3HB       ALA 100  -1.292   6.862  -8.308
  774    H    TYR 101           H        TYR 101   1.686   6.705  -5.643
  775    HA   TYR 101           HA       TYR 101   1.182   8.676  -3.566
  776   1HB   TYR 101          2HB       TYR 101   1.460   6.507  -2.717
  777   2HB   TYR 101          1HB       TYR 101   2.808   6.165  -3.770
  778    HD1  TYR 101           1HD      TYR 101   5.054   6.819  -3.242
  779    HD2  TYR 101           2HD      TYR 101   1.781   7.892  -0.681
  780    HE1  TYR 101           1HE      TYR 101   6.656   7.482  -1.470
  781    HE2  TYR 101           2HE      TYR 101   3.386   8.558   1.087
  782    HH   TYR 101           HH       TYR 101   5.995   7.743   1.584
  783    H    ASN 102           H        ASN 102   3.760   7.972  -5.855
  784    HA   ASN 102           HA       ASN 102   5.702   9.632  -4.596
  785   1HB   ASN 102          2HB       ASN 102   6.780   8.305  -6.068
  786   2HB   ASN 102          1HB       ASN 102   5.463   8.320  -7.240
  787   1HD2  ASN 102          1HD2      ASN 102   6.919  11.314  -5.942
  788   2HD2  ASN 102          2HD2      ASN 102   7.657  11.784  -7.398
  789    H    GLN 103           H        GLN 103   3.234  10.453  -7.087
  790    HA   GLN 103           HA       GLN 103   4.274  13.135  -7.362
  791   1HB   GLN 103          2HB       GLN 103   2.258  13.699  -8.505
  792   2HB   GLN 103          1HB       GLN 103   2.546  12.012  -8.914
  793   1HG   GLN 103          2HG       GLN 103   0.272  12.014  -8.345
  794   2HG   GLN 103          1HG       GLN 103   1.045  11.503  -6.854
  795   1HE2  GLN 103          1HE2      GLN 103   0.654  12.736  -5.012
  796   2HE2  GLN 103          2HE2      GLN 103  -0.091  14.259  -5.015
  797    H    LYS 104           H        LYS 104   2.511  11.404  -5.009
  798    HA   LYS 104           HA       LYS 104   1.616  13.798  -3.541
  799   1HB   LYS 104          2HB       LYS 104   0.164  12.278  -2.678
  800   2HB   LYS 104          1HB       LYS 104   1.011  10.978  -3.486
  801   1HG   LYS 104          2HG       LYS 104   2.552  10.774  -1.594
  802   2HG   LYS 104          1HG       LYS 104   1.789  12.135  -0.804
  803   1HD   LYS 104          2HD       LYS 104   0.393   9.556  -1.535
  804   2HD   LYS 104          1HD       LYS 104   1.000   9.967   0.062
  805   1HE   LYS 104          2HE       LYS 104  -1.362  11.088  -1.406
  806   2HE   LYS 104          1HE       LYS 104  -1.225  10.614   0.284
  807   1HZ   LYS 104          1HZ       LYS 104  -1.252  12.914   0.350
  808   2HZ   LYS 104          2HZ       LYS 104  -0.265  13.079  -1.023
  809   3HZ   LYS 104          3HZ       LYS 104   0.402  12.555   0.450
  810    H    TYR 105           H        TYR 105   4.310  11.496  -3.533
  811    HA   TYR 105           HA       TYR 105   5.433  12.773  -1.134
  812   1HB   TYR 105          2HB       TYR 105   6.197  10.678  -0.762
  813   2HB   TYR 105          1HB       TYR 105   5.702  10.181  -2.365
  814    HD1  TYR 105           1HD      TYR 105   7.276  11.234  -4.287
  815    HD2  TYR 105           2HD      TYR 105   8.471  10.420  -0.257
  816    HE1  TYR 105           1HE      TYR 105   9.647  11.085  -5.028
  817    HE2  TYR 105           2HE      TYR 105  10.841  10.284  -0.978
  818    HH   TYR 105           HH       TYR 105  11.867  11.289  -4.104
  819    H    GLY 106           H        GLY 106   5.226  13.635  -4.217
  820   1HA   GLY 106          2HA       GLY 106   7.629  15.327  -4.033
  821   2HA   GLY 106          1HA       GLY 106   7.623  14.185  -5.379
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1  16.665   6.131  10.615
    2   2H    ALA   1          2HT       ALA   1  16.260   4.481  10.596
    3   3H    ALA   1          3HT       ALA   1  15.420   5.553  11.611
    4    HA   ALA   1           HA       ALA   1  14.602   6.741   9.620
    5   1HB   ALA   1          1HB       ALA   1  16.591   5.627   8.279
    6   2HB   ALA   1          2HB       ALA   1  15.062   5.959   7.468
    7   3HB   ALA   1          3HB       ALA   1  15.428   4.325   8.023
    8    H    ASP   2           H        ASP   2  12.729   6.257  10.824
    9    HA   ASP   2           HA       ASP   2  11.685   3.499  10.889
   10   1HB   ASP   2          2HB       ASP   2  10.944   6.154  12.054
   11   2HB   ASP   2          1HB       ASP   2   9.657   4.957  11.897
   12    H    LEU   3           H        LEU   3  11.403   6.313   8.946
   13    HA   LEU   3           HA       LEU   3   8.795   5.546   7.808
   14   1HB   LEU   3          2HB       LEU   3  10.690   7.698   6.820
   15   2HB   LEU   3          1HB       LEU   3   8.969   7.553   6.476
   16    HG   LEU   3           HG       LEU   3  10.282   8.279   9.104
   17   1HD1  LEU   3          1HD1      LEU   3   8.062   9.681   7.603
   18   2HD1  LEU   3          2HD1      LEU   3   9.765  10.001   7.269
   19   3HD1  LEU   3          3HD1      LEU   3   9.100  10.331   8.870
   20   1HD2  LEU   3          1HD2      LEU   3   7.822   8.376   9.908
   21   2HD2  LEU   3          2HD2      LEU   3   8.562   6.781   9.787
   22   3HD2  LEU   3          3HD2      LEU   3   7.462   7.337   8.528
   23    H    GLU   4           H        GLU   4  12.151   5.912   6.659
   24    HA   GLU   4           HA       GLU   4  11.685   4.755   4.075
   25   1HB   GLU   4          2HB       GLU   4  14.275   4.637   5.643
   26   2HB   GLU   4          1HB       GLU   4  14.073   4.648   3.893
   27   1HG   GLU   4          2HG       GLU   4  13.061   6.944   4.089
   28   2HG   GLU   4          1HG       GLU   4  13.501   6.930   5.797
   29    H    ASP   5           H        ASP   5  12.071   3.545   7.270
   30    HA   ASP   5           HA       ASP   5  12.874   0.861   6.523
   31   1HB   ASP   5          2HB       ASP   5  13.373   1.440   8.738
   32   2HB   ASP   5          1HB       ASP   5  11.815   2.229   8.973
   33    H    ASN   6           H        ASN   6   9.756   2.399   7.334
   34    HA   ASN   6           HA       ASN   6   8.115   0.109   7.180
   35   1HB   ASN   6          2HB       ASN   6   6.777   1.843   7.873
   36   2HB   ASN   6          1HB       ASN   6   7.765   3.035   7.042
   37   1HD2  ASN   6          1HD2      ASN   6   7.484   2.822   4.470
   38   2HD2  ASN   6          2HD2      ASN   6   5.872   2.707   3.944
   39    H    TRP   7           H        TRP   7   9.214   2.297   4.603
   40    HA   TRP   7           HA       TRP   7   7.802   1.208   2.428
   41   1HB   TRP   7          2HB       TRP   7  10.447   2.605   2.717
   42   2HB   TRP   7          1HB       TRP   7  10.076   1.860   1.163
   43    HD1  TRP   7           HD       TRP   7   8.601   4.419   3.638
   44    HE1  TRP   7           1HE      TRP   7   7.153   6.087   2.306
   45    HE3  TRP   7           3HE      TRP   7   8.868   2.304  -1.003
   46    HZ2  TRP   7           2HZ      TRP   7   6.238   6.474  -0.376
   47    HZ3  TRP   7           3HZ      TRP   7   7.701   3.342  -2.927
   48    HH2  TRP   7           HH       TRP   7   6.387   5.423  -2.617
   49    H    GLU   8           H        GLU   8  10.986   0.144   3.712
   50    HA   GLU   8           HA       GLU   8  11.377  -1.924   1.844
   51   1HB   GLU   8          2HB       GLU   8  12.998  -1.117   3.664
   52   2HB   GLU   8          1HB       GLU   8  12.079  -2.130   4.778
   53   1HG   GLU   8          2HG       GLU   8  12.420  -4.004   3.054
   54   2HG   GLU   8          1HG       GLU   8  13.681  -2.979   2.371
   55    H    THR   9           H        THR   9   9.346  -1.716   4.720
   56    HA   THR   9           HA       THR   9   8.714  -4.526   4.791
   57    HB   THR   9           HB       THR   9   6.864  -2.336   5.753
   58    HG1  THR   9           1HG      THR   9   8.572  -3.277   7.618
   59   1HG2  THR   9          1HG2      THR   9   7.517  -5.068   6.893
   60   2HG2  THR   9          2HG2      THR   9   6.148  -4.741   5.831
   61   3HG2  THR   9          3HG2      THR   9   6.231  -3.978   7.418
   62    H    LEU  10           H        LEU  10   6.962  -1.701   3.507
   63    HA   LEU  10           HA       LEU  10   4.860  -3.187   2.269
   64   1HB   LEU  10          2HB       LEU  10   6.147  -0.641   1.248
   65   2HB   LEU  10          1HB       LEU  10   4.553  -1.236   0.813
   66    HG   LEU  10           HG       LEU  10   5.471  -0.156   3.488
   67   1HD1  LEU  10          1HD1      LEU  10   3.269   0.607   1.549
   68   2HD1  LEU  10          2HD1      LEU  10   4.761   1.501   1.834
   69   3HD1  LEU  10          3HD1      LEU  10   3.550   1.377   3.110
   70   1HD2  LEU  10          1HD2      LEU  10   3.036  -1.803   2.774
   71   2HD2  LEU  10          2HD2      LEU  10   2.998  -0.653   4.110
   72   3HD2  LEU  10          3HD2      LEU  10   4.133  -2.001   4.144
   73    H    ASN  11           H        ASN  11   8.111  -2.280   1.240
   74    HA   ASN  11           HA       ASN  11   7.846  -3.357  -1.430
   75   1HB   ASN  11          2HB       ASN  11   9.664  -1.732  -0.530
   76   2HB   ASN  11          1HB       ASN  11  10.477  -3.186   0.057
   77   1HD2  ASN  11          1HD2      ASN  11   8.992  -1.884  -2.972
   78   2HD2  ASN  11          2HD2      ASN  11  10.083  -2.652  -4.021
   79    H    ASP  12           H        ASP  12   9.397  -4.624   1.525
   80    HA   ASP  12           HA       ASP  12  10.025  -7.196   0.467
   81   1HB   ASP  12          2HB       ASP  12  11.074  -6.482   2.512
   82   2HB   ASP  12          1HB       ASP  12   9.515  -6.253   3.303
   83    H    ASN  13           H        ASN  13   7.000  -5.817   1.304
   84    HA   ASN  13           HA       ASN  13   5.622  -8.280   1.997
   85   1HB   ASN  13          2HB       ASN  13   4.994  -5.425   1.639
   86   2HB   ASN  13          1HB       ASN  13   3.747  -6.445   0.972
   87   1HD2  ASN  13          1HD2      ASN  13   3.755  -4.671   3.416
   88   2HD2  ASN  13          2HD2      ASN  13   3.253  -5.679   4.693
   89    H    LEU  14           H        LEU  14   5.733  -6.175  -0.871
   90    HA   LEU  14           HA       LEU  14   4.143  -7.708  -2.613
   91   1HB   LEU  14          2HB       LEU  14   6.478  -5.862  -3.119
   92   2HB   LEU  14          1HB       LEU  14   5.502  -6.536  -4.423
   93    HG   LEU  14           HG       LEU  14   4.078  -5.184  -2.139
   94   1HD1  LEU  14          1HD1      LEU  14   4.281  -3.009  -3.378
   95   2HD1  LEU  14          2HD1      LEU  14   5.531  -3.751  -4.380
   96   3HD1  LEU  14          3HD1      LEU  14   5.791  -3.554  -2.647
   97   1HD2  LEU  14          1HD2      LEU  14   3.607  -5.224  -5.137
   98   2HD2  LEU  14          2HD2      LEU  14   2.496  -4.626  -3.909
   99   3HD2  LEU  14          3HD2      LEU  14   2.865  -6.351  -3.999
  100    H    LYS  15           H        LYS  15   7.567  -8.077  -1.824
  101    HA   LYS  15           HA       LYS  15   8.153  -9.874  -3.993
  102   1HB   LYS  15          2HB       LYS  15   9.912  -8.712  -2.684
  103   2HB   LYS  15          1HB       LYS  15   9.458  -9.646  -1.264
  104   1HG   LYS  15          2HG       LYS  15   9.888 -11.701  -3.027
  105   2HG   LYS  15          1HG       LYS  15  10.988 -10.498  -3.692
  106   1HD   LYS  15          2HD       LYS  15  12.359 -11.581  -2.138
  107   2HD   LYS  15          1HD       LYS  15  11.775 -10.208  -1.197
  108   1HE   LYS  15          2HE       LYS  15  11.537 -12.184   0.175
  109   2HE   LYS  15          1HE       LYS  15   9.921 -11.703  -0.334
  110   1HZ   LYS  15          1HZ       LYS  15   9.675 -13.698  -1.216
  111   2HZ   LYS  15          2HZ       LYS  15  11.272 -14.122  -0.824
  112   3HZ   LYS  15          3HZ       LYS  15  10.933 -13.370  -2.308
  113    H    VAL  16           H        VAL  16   7.273 -10.422  -0.571
  114    HA   VAL  16           HA       VAL  16   7.359 -13.241  -0.660
  115    HB   VAL  16           HB       VAL  16   5.608 -11.364   0.954
  116   1HG1  VAL  16          1HG1      VAL  16   4.415 -13.454   0.896
  117   2HG1  VAL  16          2HG1      VAL  16   5.281 -13.406   2.429
  118   3HG1  VAL  16          3HG1      VAL  16   5.902 -14.376   1.094
  119   1HG2  VAL  16          1HG2      VAL  16   8.087 -13.006   1.578
  120   2HG2  VAL  16          2HG2      VAL  16   7.178 -12.075   2.768
  121   3HG2  VAL  16          3HG2      VAL  16   8.007 -11.249   1.450
  122    H    ILE  17           H        ILE  17   4.991 -11.046  -2.043
  123    HA   ILE  17           HA       ILE  17   2.886 -13.024  -2.339
  124    HB   ILE  17           HB       ILE  17   3.261 -10.623  -4.144
  125   1HG1  ILE  17          2HG1      ILE  17   2.215 -10.730  -1.307
  126   2HG1  ILE  17          1HG1      ILE  17   3.610  -9.848  -1.903
  127   1HG2  ILE  17          1HG2      ILE  17   1.424 -12.321  -4.559
  128   2HG2  ILE  17          2HG2      ILE  17   0.841 -10.686  -4.250
  129   3HG2  ILE  17          3HG2      ILE  17   0.773 -11.901  -2.977
  130   1HD1  ILE  17          1HD1      ILE  17   1.962  -8.179  -1.838
  131   2HD1  ILE  17          2HD1      ILE  17   0.695  -9.287  -2.362
  132   3HD1  ILE  17          3HD1      ILE  17   1.894  -8.706  -3.520
  133    H    GLU  18           H        GLU  18   4.690 -11.477  -5.017
  134    HA   GLU  18           HA       GLU  18   4.161 -13.384  -6.969
  135   1HB   GLU  18          2HB       GLU  18   6.956 -12.298  -6.873
  136   2HB   GLU  18          1HB       GLU  18   5.825 -12.372  -8.226
  137   1HG   GLU  18          2HG       GLU  18   4.432 -10.671  -6.755
  138   2HG   GLU  18          1HG       GLU  18   5.984 -10.366  -5.990
  139    H    LYS  19           H        LYS  19   6.315 -13.615  -4.263
  140    HA   LYS  19           HA       LYS  19   7.341 -16.237  -5.249
  141   1HB   LYS  19          2HB       LYS  19   8.416 -14.119  -3.500
  142   2HB   LYS  19          1HB       LYS  19   8.642 -15.730  -2.833
  143   1HG   LYS  19          2HG       LYS  19  10.567 -15.198  -4.197
  144   2HG   LYS  19          1HG       LYS  19   9.622 -16.421  -5.030
  145   1HD   LYS  19          2HD       LYS  19  10.077 -14.887  -6.749
  146   2HD   LYS  19          1HD       LYS  19   8.458 -14.429  -6.236
  147   1HE   LYS  19          2HE       LYS  19   9.198 -12.477  -5.191
  148   2HE   LYS  19          1HE       LYS  19  10.828 -13.092  -4.947
  149   1HZ   LYS  19          1HZ       LYS  19  10.358 -11.379  -6.815
  150   2HZ   LYS  19          2HZ       LYS  19   9.816 -12.737  -7.682
  151   3HZ   LYS  19          3HZ       LYS  19  11.414 -12.672  -7.108
  152    H    ALA  20           H        ALA  20   4.803 -15.077  -3.401
  153    HA   ALA  20           HA       ALA  20   4.751 -16.852  -1.170
  154   1HB   ALA  20          1HB       ALA  20   2.156 -16.710  -1.589
  155   2HB   ALA  20          2HB       ALA  20   2.592 -15.514  -2.793
  156   3HB   ALA  20          3HB       ALA  20   3.026 -15.256  -1.105
  157    H    ASP  21           H        ASP  21   3.310 -17.207  -4.380
  158    HA   ASP  21           HA       ASP  21   2.883 -19.064  -5.693
  159   1HB   ASP  21          2HB       ASP  21   4.773 -20.540  -3.846
  160   2HB   ASP  21          1HB       ASP  21   4.304 -20.997  -5.479
  161    H    ASN  22           H        ASN  22   1.818 -18.856  -2.543
  162    HA   ASN  22           HA       ASN  22  -0.115 -21.035  -3.085
  163   1HB   ASN  22          2HB       ASN  22   0.976 -20.885  -0.280
  164   2HB   ASN  22          1HB       ASN  22   0.137 -22.213  -1.086
  165   1HD2  ASN  22          1HD2      ASN  22   3.038 -20.251  -1.757
  166   2HD2  ASN  22          2HD2      ASN  22   4.036 -21.574  -2.084
  167    H    ALA  23           H        ALA  23  -2.133 -20.602  -2.249
  168    HA   ALA  23           HA       ALA  23  -2.867 -17.922  -1.770
  169   1HB   ALA  23          1HB       ALA  23  -4.442 -20.241  -0.670
  170   2HB   ALA  23          2HB       ALA  23  -4.327 -19.957  -2.405
  171   3HB   ALA  23          3HB       ALA  23  -5.033 -18.727  -1.354
  172    H    ALA  24           H        ALA  24  -1.499 -20.220   0.434
  173    HA   ALA  24           HA       ALA  24  -2.583 -19.079   2.861
  174   1HB   ALA  24          1HB       ALA  24  -1.496 -21.379   2.582
  175   2HB   ALA  24          2HB       ALA  24  -1.019 -20.466   4.013
  176   3HB   ALA  24          3HB       ALA  24   0.056 -20.539   2.617
  177    H    GLN  25           H        GLN  25   0.723 -18.845   1.515
  178    HA   GLN  25           HA       GLN  25   1.605 -16.846   3.317
  179   1HB   GLN  25          2HB       GLN  25   2.776 -17.052   0.567
  180   2HB   GLN  25          1HB       GLN  25   3.582 -16.870   2.113
  181   1HG   GLN  25          2HG       GLN  25   2.690 -19.227   2.658
  182   2HG   GLN  25          1HG       GLN  25   2.343 -19.355   0.932
  183   1HE2  GLN  25          1HE2      GLN  25   4.228 -19.001  -0.554
  184   2HE2  GLN  25          2HE2      GLN  25   5.776 -19.466  -0.035
  185    H    VAL  26           H        VAL  26  -0.404 -16.563   0.533
  186    HA   VAL  26           HA       VAL  26   0.298 -13.824  -0.114
  187    HB   VAL  26           HB       VAL  26  -2.325 -15.251  -0.655
  188   1HG1  VAL  26          1HG1      VAL  26  -2.811 -13.518  -2.204
  189   2HG1  VAL  26          2HG1      VAL  26  -1.152 -12.937  -2.210
  190   3HG1  VAL  26          3HG1      VAL  26  -2.174 -12.648  -0.817
  191   1HG2  VAL  26          1HG2      VAL  26  -1.430 -15.941  -2.735
  192   2HG2  VAL  26          2HG2      VAL  26  -0.113 -16.235  -1.611
  193   3HG2  VAL  26          3HG2      VAL  26  -0.083 -14.809  -2.636
  194    H    LYS  27           H        LYS  27  -2.371 -15.276   1.855
  195    HA   LYS  27           HA       LYS  27  -3.528 -12.802   2.616
  196   1HB   LYS  27          2HB       LYS  27  -3.149 -15.275   4.339
  197   2HB   LYS  27          1HB       LYS  27  -4.244 -13.954   4.697
  198   1HG   LYS  27          2HG       LYS  27  -5.868 -14.892   3.411
  199   2HG   LYS  27          1HG       LYS  27  -4.813 -14.894   2.012
  200   1HD   LYS  27          2HD       LYS  27  -5.430 -17.188   2.424
  201   2HD   LYS  27          1HD       LYS  27  -3.747 -17.000   2.900
  202   1HE   LYS  27          2HE       LYS  27  -4.197 -17.268   5.132
  203   2HE   LYS  27          1HE       LYS  27  -5.796 -16.530   5.026
  204   1HZ   LYS  27          1HZ       LYS  27  -6.717 -18.510   4.792
  205   2HZ   LYS  27          2HZ       LYS  27  -5.203 -19.230   5.064
  206   3HZ   LYS  27          3HZ       LYS  27  -5.714 -18.894   3.479
  207    H    ASP  28           H        ASP  28  -1.057 -14.768   4.143
  208    HA   ASP  28           HA       ASP  28  -0.352 -13.135   6.293
  209   1HB   ASP  28          2HB       ASP  28   1.534 -14.751   4.545
  210   2HB   ASP  28          1HB       ASP  28   1.816 -14.286   6.223
  211    H    ALA  29           H        ALA  29   0.679 -12.944   2.907
  212    HA   ALA  29           HA       ALA  29   2.651 -10.905   3.333
  213   1HB   ALA  29          1HB       ALA  29   1.105 -11.295   0.765
  214   2HB   ALA  29          2HB       ALA  29   2.374 -12.408   1.270
  215   3HB   ALA  29          3HB       ALA  29   2.758 -10.715   0.967
  216    H    LEU  30           H        LEU  30  -0.541 -10.579   1.720
  217    HA   LEU  30           HA       LEU  30  -0.554  -7.746   1.857
  218   1HB   LEU  30          2HB       LEU  30  -2.783  -9.763   1.604
  219   2HB   LEU  30          1HB       LEU  30  -3.088  -8.030   1.576
  220    HG   LEU  30           HG       LEU  30  -0.985  -9.172  -0.261
  221   1HD1  LEU  30          1HD1      LEU  30  -2.631  -9.610  -1.981
  222   2HD1  LEU  30          2HD1      LEU  30  -3.938  -9.038  -0.943
  223   3HD1  LEU  30          3HD1      LEU  30  -3.084 -10.528  -0.552
  224   1HD2  LEU  30          1HD2      LEU  30  -1.344  -7.205  -1.503
  225   2HD2  LEU  30          2HD2      LEU  30  -1.564  -6.638   0.149
  226   3HD2  LEU  30          3HD2      LEU  30  -2.967  -6.972  -0.858
  227    H    THR  31           H        THR  31  -1.328 -10.132   4.273
  228    HA   THR  31           HA       THR  31  -2.980  -8.570   6.005
  229    HB   THR  31           HB       THR  31  -0.845 -10.625   6.683
  230    HG1  THR  31           1HG      THR  31  -3.633 -11.016   6.744
  231   1HG2  THR  31          1HG2      THR  31  -1.317  -9.359   8.668
  232   2HG2  THR  31          2HG2      THR  31  -2.243 -10.856   8.798
  233   3HG2  THR  31          3HG2      THR  31  -3.049  -9.361   8.330
  234    H    LYS  32           H        LYS  32   0.500  -8.864   5.628
  235    HA   LYS  32           HA       LYS  32   1.182  -7.037   7.757
  236   1HB   LYS  32          2HB       LYS  32   2.616  -8.321   5.446
  237   2HB   LYS  32          1HB       LYS  32   3.434  -7.105   6.433
  238   1HG   LYS  32          2HG       LYS  32   2.881  -8.479   8.462
  239   2HG   LYS  32          1HG       LYS  32   2.200  -9.704   7.397
  240   1HD   LYS  32          2HD       LYS  32   4.284 -10.621   7.259
  241   2HD   LYS  32          1HD       LYS  32   4.767  -9.216   6.313
  242   1HE   LYS  32          2HE       LYS  32   5.071  -9.664   9.287
  243   2HE   LYS  32          1HE       LYS  32   6.330  -9.329   8.098
  244   1HZ   LYS  32          1HZ       LYS  32   4.914  -7.504   9.643
  245   2HZ   LYS  32          2HZ       LYS  32   4.415  -7.270   8.037
  246   3HZ   LYS  32          3HZ       LYS  32   6.062  -7.175   8.438
  247    H    MET  33           H        MET  33   0.529  -6.715   4.290
  248    HA   MET  33           HA       MET  33   1.540  -4.022   3.989
  249   1HB   MET  33          2HB       MET  33  -0.631  -5.531   2.521
  250   2HB   MET  33          1HB       MET  33  -0.042  -3.946   2.028
  251   1HG   MET  33          2HG       MET  33   2.279  -4.943   1.943
  252   2HG   MET  33          1HG       MET  33   1.530  -6.523   2.161
  253   1HE   MET  33          1HE       MET  33   1.848  -3.980  -1.554
  254   2HE   MET  33          2HE       MET  33   2.878  -4.095  -0.132
  255   3HE   MET  33          3HE       MET  33   1.352  -3.221  -0.038
  256    H    ARG  34           H        ARG  34  -1.832  -5.106   3.964
  257    HA   ARG  34           HA       ARG  34  -3.099  -2.681   4.404
  258   1HB   ARG  34          2HB       ARG  34  -4.129  -5.024   4.066
  259   2HB   ARG  34          1HB       ARG  34  -3.980  -5.224   5.806
  260   1HG   ARG  34          2HG       ARG  34  -5.692  -3.746   6.275
  261   2HG   ARG  34          1HG       ARG  34  -5.305  -2.689   4.928
  262   1HD   ARG  34          2HD       ARG  34  -6.242  -4.560   3.412
  263   2HD   ARG  34          1HD       ARG  34  -6.926  -5.238   4.881
  264    HE   ARG  34           HE       ARG  34  -7.810  -2.813   3.528
  265   1HH1  ARG  34          1HH2      ARG  34  -7.574  -4.579   6.466
  266   2HH1  ARG  34          2HH2      ARG  34  -9.007  -3.894   7.160
  267   1HH2  ARG  34          1HH1      ARG  34  -9.703  -1.894   4.413
  268   2HH2  ARG  34          2HH1      ARG  34 -10.200  -2.362   6.005
  269    H    ALA  35           H        ALA  35  -1.247  -4.593   6.622
  270    HA   ALA  35           HA       ALA  35  -2.136  -3.195   9.025
  271   1HB   ALA  35          1HB       ALA  35  -1.077  -5.500   9.005
  272   2HB   ALA  35          2HB       ALA  35  -0.363  -4.372  10.157
  273   3HB   ALA  35          3HB       ALA  35   0.456  -4.717   8.634
  274    H    ALA  36           H        ALA  36   1.096  -3.230   7.429
  275    HA   ALA  36           HA       ALA  36   1.907  -0.773   8.680
  276   1HB   ALA  36          1HB       ALA  36   3.643  -0.791   6.746
  277   2HB   ALA  36          2HB       ALA  36   2.924  -2.342   6.314
  278   3HB   ALA  36          3HB       ALA  36   3.672  -2.130   7.895
  279    H    ALA  37           H        ALA  37   0.088  -1.443   5.754
  280    HA   ALA  37           HA       ALA  37   0.462   1.038   4.419
  281   1HB   ALA  37          1HB       ALA  37  -0.827  -1.061   3.618
  282   2HB   ALA  37          2HB       ALA  37  -1.484   0.512   3.174
  283   3HB   ALA  37          3HB       ALA  37  -2.197  -0.398   4.507
  284    H    LEU  38           H        LEU  38  -1.797   0.085   6.994
  285    HA   LEU  38           HA       LEU  38  -3.153   2.617   7.140
  286   1HB   LEU  38          2HB       LEU  38  -2.701   0.492   9.258
  287   2HB   LEU  38          1HB       LEU  38  -3.810   1.848   9.431
  288    HG   LEU  38           HG       LEU  38  -4.028  -0.014   7.061
  289   1HD1  LEU  38          1HD1      LEU  38  -4.092  -1.480   9.007
  290   2HD1  LEU  38          2HD1      LEU  38  -5.726  -1.297   8.368
  291   3HD1  LEU  38          3HD1      LEU  38  -5.239  -0.410   9.812
  292   1HD2  LEU  38          1HD2      LEU  38  -6.466   0.665   7.332
  293   2HD2  LEU  38          2HD2      LEU  38  -5.379   1.974   6.881
  294   3HD2  LEU  38          3HD2      LEU  38  -5.936   1.822   8.548
  295    H    ASP  39           H        ASP  39  -0.132   1.384   8.457
  296    HA   ASP  39           HA       ASP  39   0.202   3.707  10.233
  297   1HB   ASP  39          2HB       ASP  39   1.193   1.590  10.918
  298   2HB   ASP  39          1HB       ASP  39   2.102   1.487   9.410
  299    H    ALA  40           H        ALA  40   1.332   2.644   7.049
  300    HA   ALA  40           HA       ALA  40   3.337   4.581   6.602
  301   1HB   ALA  40          1HB       ALA  40   1.295   3.554   4.601
  302   2HB   ALA  40          2HB       ALA  40   2.804   2.741   5.014
  303   3HB   ALA  40          3HB       ALA  40   2.839   4.308   4.204
  304    H    GLN  41           H        GLN  41  -0.120   4.874   6.781
  305    HA   GLN  41           HA       GLN  41  -0.630   7.277   5.438
  306   1HB   GLN  41          2HB       GLN  41  -2.404   5.945   6.448
  307   2HB   GLN  41          1HB       GLN  41  -1.761   6.242   8.059
  308   1HG   GLN  41          2HG       GLN  41  -2.389   8.666   6.420
  309   2HG   GLN  41          1HG       GLN  41  -3.770   7.734   6.994
  310   1HE2  GLN  41          1HE2      GLN  41  -1.026   9.712   8.027
  311   2HE2  GLN  41          2HE2      GLN  41  -1.496   9.840   9.655
  312    H    LYS  42           H        LYS  42   0.540   6.842   8.791
  313    HA   LYS  42           HA       LYS  42   0.706   9.664   9.360
  314   1HB   LYS  42          2HB       LYS  42   2.137   7.305  10.611
  315   2HB   LYS  42          1HB       LYS  42   2.235   8.952  11.213
  316   1HG   LYS  42          2HG       LYS  42   0.549   7.910  12.514
  317   2HG   LYS  42          1HG       LYS  42  -0.295   8.948  11.373
  318   1HD   LYS  42          2HD       LYS  42  -1.257   7.174  10.260
  319   2HD   LYS  42          1HD       LYS  42   0.166   6.159  10.416
  320   1HE   LYS  42          2HE       LYS  42  -0.396   5.784  12.813
  321   2HE   LYS  42          1HE       LYS  42  -1.863   6.739  12.597
  322   1HZ   LYS  42          1HZ       LYS  42  -1.338   4.493  10.779
  323   2HZ   LYS  42          2HZ       LYS  42  -2.823   5.143  11.291
  324   3HZ   LYS  42          3HZ       LYS  42  -1.913   4.163  12.339
  325    H    ALA  43           H        ALA  43   2.364   8.031   7.050
  326    HA   ALA  43           HA       ALA  43   5.041   9.104   7.583
  327   1HB   ALA  43          1HB       ALA  43   4.053   8.063   4.924
  328   2HB   ALA  43          2HB       ALA  43   4.486   6.972   6.240
  329   3HB   ALA  43          3HB       ALA  43   5.699   8.058   5.560
  330    H    THR  44           H        THR  44   5.976  10.910   6.560
  331    HA   THR  44           HA       THR  44   4.421  12.399   4.555
  332    HB   THR  44           HB       THR  44   5.194  13.897   7.062
  333    HG1  THR  44           1HG      THR  44   2.610  13.463   7.057
  334   1HG2  THR  44          1HG2      THR  44   2.900  14.429   5.181
  335   2HG2  THR  44          2HG2      THR  44   4.535  14.954   4.778
  336   3HG2  THR  44          3HG2      THR  44   3.748  15.558   6.236
  337    HA   PRO  45           HA       PRO  45   9.112  12.502   4.302
  338   1HB   PRO  45          2HB       PRO  45   8.512  12.054   1.427
  339   2HB   PRO  45          1HB       PRO  45   9.664  11.222   2.478
  340   1HG   PRO  45          2HG       PRO  45   7.333  10.094   1.659
  341   2HG   PRO  45          1HG       PRO  45   8.121   9.697   3.191
  342   1HD   PRO  45          2HD       PRO  45   5.674  11.330   2.720
  343   2HD   PRO  45          1HD       PRO  45   6.132  10.369   4.131
  344    HA   PRO  46           HA       PRO  46   8.491  16.174   1.315
  345   1HB   PRO  46          2HB       PRO  46   6.097  16.803   0.276
  346   2HB   PRO  46          1HB       PRO  46   7.047  15.452  -0.379
  347   1HG   PRO  46          2HG       PRO  46   4.732  15.390   1.511
  348   2HG   PRO  46          1HG       PRO  46   5.060  14.361   0.107
  349   1HD   PRO  46          2HD       PRO  46   5.619  13.637   2.710
  350   2HD   PRO  46          1HD       PRO  46   6.451  12.954   1.302
  351    H    LYS  47           H        LYS  47   6.270  15.586   3.859
  352    HA   LYS  47           HA       LYS  47   5.614  16.901   5.667
  353   1HB   LYS  47          2HB       LYS  47   7.126  19.219   4.425
  354   2HB   LYS  47          1HB       LYS  47   6.591  19.046   6.083
  355   1HG   LYS  47          2HG       LYS  47   8.154  17.352   6.563
  356   2HG   LYS  47          1HG       LYS  47   8.463  17.030   4.859
  357   1HD   LYS  47          2HD       LYS  47  10.318  18.297   5.919
  358   2HD   LYS  47          1HD       LYS  47   9.565  19.197   4.609
  359   1HE   LYS  47          2HE       LYS  47   8.662  20.777   6.039
  360   2HE   LYS  47          1HE       LYS  47   8.455  19.626   7.358
  361   1HZ   LYS  47          1HZ       LYS  47  10.600  19.861   8.036
  362   2HZ   LYS  47          2HZ       LYS  47  10.310  21.429   7.450
  363   3HZ   LYS  47          3HZ       LYS  47  11.173  20.311   6.504
  364    H    LEU  48           H        LEU  48   3.485  17.184   5.539
  365    HA   LEU  48           HA       LEU  48   2.296  18.702   3.333
  366   1HB   LEU  48          2HB       LEU  48   1.478  16.487   4.665
  367   2HB   LEU  48          1HB       LEU  48   0.634  17.695   5.627
  368    HG   LEU  48           HG       LEU  48   0.492  17.565   2.613
  369   1HD1  LEU  48          1HD1      LEU  48  -1.814  16.600   3.062
  370   2HD1  LEU  48          2HD1      LEU  48  -1.296  16.348   4.729
  371   3HD1  LEU  48          3HD1      LEU  48  -0.469  15.515   3.413
  372   1HD2  LEU  48          1HD2      LEU  48  -1.612  18.909   3.078
  373   2HD2  LEU  48          2HD2      LEU  48  -0.097  19.738   3.443
  374   3HD2  LEU  48          3HD2      LEU  48  -1.061  19.046   4.747
  375    H    GLU  49           H        GLU  49   2.380  18.924   6.904
  376    HA   GLU  49           HA       GLU  49   0.950  21.424   6.963
  377   1HB   GLU  49          2HB       GLU  49   2.885  20.304   9.016
  378   2HB   GLU  49          1HB       GLU  49   1.685  21.566   9.296
  379   1HG   GLU  49          2HG       GLU  49   1.114  18.683   8.536
  380   2HG   GLU  49          1HG       GLU  49   0.825  19.424  10.109
  381    H    ASP  50           H        ASP  50   2.988  21.548   4.987
  382    HA   ASP  50           HA       ASP  50   4.490  23.892   6.015
  383   1HB   ASP  50          2HB       ASP  50   5.817  21.627   6.147
  384   2HB   ASP  50          1HB       ASP  50   5.979  21.825   4.406
  385    H    LYS  51           H        LYS  51   4.639  21.889   3.073
  386    HA   LYS  51           HA       LYS  51   4.728  24.168   1.348
  387   1HB   LYS  51          2HB       LYS  51   4.448  22.542  -0.454
  388   2HB   LYS  51          1HB       LYS  51   5.567  21.919   0.739
  389   1HG   LYS  51          2HG       LYS  51   3.937  20.472   1.686
  390   2HG   LYS  51          1HG       LYS  51   2.628  21.217   0.775
  391   1HD   LYS  51          2HD       LYS  51   3.491  20.381  -1.309
  392   2HD   LYS  51          1HD       LYS  51   4.976  19.829  -0.531
  393   1HE   LYS  51          2HE       LYS  51   3.536  17.909  -0.822
  394   2HE   LYS  51          1HE       LYS  51   3.582  18.307   0.894
  395   1HZ   LYS  51          1HZ       LYS  51   1.468  19.187   0.840
  396   2HZ   LYS  51          2HZ       LYS  51   1.322  17.884  -0.240
  397   3HZ   LYS  51          3HZ       LYS  51   1.496  19.468  -0.832
  398    H    SER  52           H        SER  52   2.494  22.942  -0.459
  399    HA   SER  52           HA       SER  52   0.452  24.762   0.430
  400   1HB   SER  52          2HB       SER  52   0.848  24.286  -1.951
  401   2HB   SER  52          1HB       SER  52   0.361  22.612  -1.698
  402    HG   SER  52           HG       SER  52  -1.428  24.471  -0.752
  403    HA   PRO  53           HA       PRO  53  -1.564  21.648   3.025
  404   1HB   PRO  53          2HB       PRO  53  -3.586  23.087   3.987
  405   2HB   PRO  53          1HB       PRO  53  -1.910  23.568   4.351
  406   1HG   PRO  53          2HG       PRO  53  -3.729  24.600   2.196
  407   2HG   PRO  53          1HG       PRO  53  -2.828  25.527   3.422
  408   1HD   PRO  53          2HD       PRO  53  -1.863  25.154   0.897
  409   2HD   PRO  53          1HD       PRO  53  -0.789  25.258   2.314
  410    H    ASP  54           H        ASP  54  -3.051  23.157   0.286
  411    HA   ASP  54           HA       ASP  54  -4.610  22.320  -1.230
  412   1HB   ASP  54          2HB       ASP  54  -5.280  19.979   0.542
  413   2HB   ASP  54          1HB       ASP  54  -5.246  20.077  -1.216
  414    H    SER  55           H        SER  55  -6.952  20.677   0.204
  415    HA   SER  55           HA       SER  55  -8.138  22.680   1.906
  416   1HB   SER  55          2HB       SER  55  -9.699  23.679   0.471
  417   2HB   SER  55          1HB       SER  55  -8.240  23.610  -0.512
  418    HG   SER  55           HG       SER  55  -9.698  22.705  -1.810
  419    HA   PRO  56           HA       PRO  56 -11.265  18.991   0.781
  420   1HB   PRO  56          2HB       PRO  56  -9.060  16.958   0.638
  421   2HB   PRO  56          1HB       PRO  56 -10.626  16.978  -0.204
  422   1HG   PRO  56          2HG       PRO  56  -8.470  17.634  -1.527
  423   2HG   PRO  56          1HG       PRO  56  -9.916  18.650  -1.694
  424   1HD   PRO  56          2HD       PRO  56  -7.462  19.138  -0.016
  425   2HD   PRO  56          1HD       PRO  56  -8.326  20.279  -1.079
  426    H    GLU  57           H        GLU  57 -10.118  20.141   3.194
  427    HA   GLU  57           HA       GLU  57  -9.831  19.657   5.479
  428   1HB   GLU  57          2HB       GLU  57 -12.224  18.735   4.780
  429   2HB   GLU  57          1HB       GLU  57 -11.478  17.160   5.045
  430   1HG   GLU  57          2HG       GLU  57 -10.756  18.019   7.329
  431   2HG   GLU  57          1HG       GLU  57 -11.795  19.416   7.041
  432    H    MET  58           H        MET  58  -8.119  18.443   3.350
  433    HA   MET  58           HA       MET  58  -6.265  17.077   3.237
  434   1HB   MET  58          2HB       MET  58  -6.785  16.204   6.076
  435   2HB   MET  58          1HB       MET  58  -5.262  16.326   5.210
  436   1HG   MET  58          2HG       MET  58  -5.005  18.346   6.215
  437   2HG   MET  58          1HG       MET  58  -6.226  18.949   5.087
  438   1HE   MET  58          1HE       MET  58  -5.905  20.583   6.931
  439   2HE   MET  58          2HE       MET  58  -5.761  20.010   8.590
  440   3HE   MET  58          3HE       MET  58  -7.241  20.808   8.067
  441    H    LYS  59           H        LYS  59  -9.381  16.135   3.796
  442    HA   LYS  59           HA       LYS  59  -9.441  13.375   4.152
  443   1HB   LYS  59          2HB       LYS  59 -11.383  15.007   3.731
  444   2HB   LYS  59          1HB       LYS  59 -11.025  14.835   2.010
  445   1HG   LYS  59          2HG       LYS  59 -11.313  12.249   3.487
  446   2HG   LYS  59          1HG       LYS  59 -12.782  13.212   3.403
  447   1HD   LYS  59          2HD       LYS  59 -12.782  13.208   1.028
  448   2HD   LYS  59          1HD       LYS  59 -11.112  12.648   0.950
  449   1HE   LYS  59          2HE       LYS  59 -12.784  10.836   0.478
  450   2HE   LYS  59          1HE       LYS  59 -11.739  10.483   1.854
  451   1HZ   LYS  59          1HZ       LYS  59 -13.476  11.253   3.338
  452   2HZ   LYS  59          2HZ       LYS  59 -14.056  10.001   2.347
  453   3HZ   LYS  59          3HZ       LYS  59 -14.482  11.614   2.021
  454    H    ASP  60           H        ASP  60  -9.053  15.130   1.091
  455    HA   ASP  60           HA       ASP  60  -8.717  12.954  -0.635
  456   1HB   ASP  60          2HB       ASP  60  -8.918  15.157  -1.533
  457   2HB   ASP  60          1HB       ASP  60  -7.510  15.728  -0.640
  458    H    PHE  61           H        PHE  61  -6.487  14.206   1.778
  459    HA   PHE  61           HA       PHE  61  -4.156  12.833   0.659
  460   1HB   PHE  61          2HB       PHE  61  -4.202  14.863   2.300
  461   2HB   PHE  61          1HB       PHE  61  -4.470  13.656   3.556
  462    HD1  PHE  61           1HD      PHE  61  -2.584  12.720   4.590
  463    HD2  PHE  61           2HD      PHE  61  -2.231  14.269   0.599
  464    HE1  PHE  61           1HE      PHE  61  -0.145  12.249   4.621
  465    HE2  PHE  61           2HE      PHE  61   0.202  13.795   0.629
  466    HZ   PHE  61           HZ       PHE  61   1.245  12.788   2.641
  467    H    ARG  62           H        ARG  62  -6.175  12.352   3.536
  468    HA   ARG  62           HA       ARG  62  -5.232   9.747   4.191
  469   1HB   ARG  62          2HB       ARG  62  -7.965  10.947   4.724
  470   2HB   ARG  62          1HB       ARG  62  -7.207   9.650   5.634
  471   1HG   ARG  62          2HG       ARG  62  -6.068  11.131   6.938
  472   2HG   ARG  62          1HG       ARG  62  -5.399  11.939   5.525
  473   1HD   ARG  62          2HD       ARG  62  -7.429  13.296   5.305
  474   2HD   ARG  62          1HD       ARG  62  -8.153  12.456   6.673
  475    HE   ARG  62           HE       ARG  62  -6.124  14.548   6.839
  476   1HH1  ARG  62          1HH2      ARG  62  -7.615  11.800   8.291
  477   2HH1  ARG  62          2HH2      ARG  62  -7.104  12.204   9.898
  478   1HH2  ARG  62          1HH1      ARG  62  -5.444  15.089   8.929
  479   2HH2  ARG  62          2HH1      ARG  62  -5.870  14.062  10.256
  480    H    HIS  63           H        HIS  63  -7.774  10.862   2.001
  481    HA   HIS  63           HA       HIS  63  -9.056   8.335   1.541
  482   1HB   HIS  63          2HB       HIS  63  -9.585  10.858   0.731
  483   2HB   HIS  63          1HB       HIS  63  -8.769  10.303  -0.723
  484    HD1  HIS  63           1HD      HIS  63 -10.780   7.885   1.302
  485    HD2  HIS  63           2HD      HIS  63 -11.273  10.194  -2.131
  486    HE1  HIS  63           1HE      HIS  63 -12.896   7.084   0.211
  487    H    GLY  64           H        GLY  64  -6.184   9.841   0.044
  488   1HA   GLY  64          2HA       GLY  64  -5.898   7.814  -1.963
  489   2HA   GLY  64          1HA       GLY  64  -4.592   8.843  -1.373
  490    H    PHE  65           H        PHE  65  -4.960   7.997   1.436
  491    HA   PHE  65           HA       PHE  65  -3.395   5.513   1.277
  492   1HB   PHE  65          2HB       PHE  65  -4.324   7.236   3.584
  493   2HB   PHE  65          1HB       PHE  65  -3.506   5.693   3.831
  494    HD1  PHE  65           1HD      PHE  65  -3.052   9.168   3.248
  495    HD2  PHE  65           2HD      PHE  65  -1.253   5.338   2.560
  496    HE1  PHE  65           1HE      PHE  65  -0.865  10.260   2.872
  497    HE2  PHE  65           2HE      PHE  65   0.937   6.436   2.173
  498    HZ   PHE  65           HZ       PHE  65   1.123   8.907   2.320
  499    H    ASP  66           H        ASP  66  -6.585   6.567   2.421
  500    HA   ASP  66           HA       ASP  66  -7.395   3.944   3.326
  501   1HB   ASP  66          2HB       ASP  66  -8.453   6.208   3.951
  502   2HB   ASP  66          1HB       ASP  66  -9.271   6.128   2.389
  503    H    ILE  67           H        ILE  67  -7.924   5.826   0.340
  504    HA   ILE  67           HA       ILE  67  -9.520   3.938  -1.033
  505    HB   ILE  67           HB       ILE  67  -7.410   5.870  -2.058
  506   1HG1  ILE  67          2HG1      ILE  67  -9.705   6.609  -0.969
  507   2HG1  ILE  67          1HG1      ILE  67  -9.164   7.368  -2.463
  508   1HG2  ILE  67          1HG2      ILE  67  -7.504   4.212  -3.753
  509   2HG2  ILE  67          2HG2      ILE  67  -8.579   5.494  -4.306
  510   3HG2  ILE  67          3HG2      ILE  67  -9.252   4.028  -3.593
  511   1HD1  ILE  67          1HD1      ILE  67 -10.671   6.109  -3.789
  512   2HD1  ILE  67          2HD1      ILE  67 -11.614   6.573  -2.373
  513   3HD1  ILE  67          3HD1      ILE  67 -10.966   4.940  -2.506
  514    H    LEU  68           H        LEU  68  -5.988   4.304  -0.943
  515    HA   LEU  68           HA       LEU  68  -5.358   2.043  -2.535
  516   1HB   LEU  68          2HB       LEU  68  -3.626   3.614  -2.068
  517   2HB   LEU  68          1HB       LEU  68  -3.874   3.485  -0.331
  518    HG   LEU  68           HG       LEU  68  -2.975   1.229  -0.306
  519   1HD1  LEU  68          1HD1      LEU  68  -3.232   1.480  -3.284
  520   2HD1  LEU  68          2HD1      LEU  68  -3.552   0.100  -2.243
  521   3HD1  LEU  68          3HD1      LEU  68  -1.895   0.517  -2.656
  522   1HD2  LEU  68          1HD2      LEU  68  -1.349   3.312  -1.773
  523   2HD2  LEU  68          2HD2      LEU  68  -0.657   1.747  -1.355
  524   3HD2  LEU  68          3HD2      LEU  68  -1.244   2.815  -0.083
  525    H    VAL  69           H        VAL  69  -5.899   2.333   0.977
  526    HA   VAL  69           HA       VAL  69  -5.271  -0.362   1.626
  527    HB   VAL  69           HB       VAL  69  -7.178   1.647   2.849
  528   1HG1  VAL  69          1HG1      VAL  69  -7.018   0.042   4.863
  529   2HG1  VAL  69          2HG1      VAL  69  -6.512  -1.162   3.680
  530   3HG1  VAL  69          3HG1      VAL  69  -8.091  -0.400   3.537
  531   1HG2  VAL  69          1HG2      VAL  69  -4.517   1.808   2.870
  532   2HG2  VAL  69          2HG2      VAL  69  -4.670   0.610   4.151
  533   3HG2  VAL  69          3HG2      VAL  69  -5.446   2.184   4.319
  534    H    GLY  70           H        GLY  70  -7.874   1.081  -0.109
  535   1HA   GLY  70          2HA       GLY  70  -9.784  -1.068   0.377
  536   2HA   GLY  70          1HA       GLY  70  -9.968   0.228  -0.799
  537    H    GLN  71           H        GLN  71  -7.681  -0.154  -2.420
  538    HA   GLN  71           HA       GLN  71  -8.550  -2.448  -3.947
  539   1HB   GLN  71          2HB       GLN  71  -7.124  -1.675  -5.599
  540   2HB   GLN  71          1HB       GLN  71  -7.220  -0.209  -4.634
  541   1HG   GLN  71          2HG       GLN  71  -4.920  -0.449  -4.935
  542   2HG   GLN  71          1HG       GLN  71  -5.151  -1.200  -3.368
  543   1HE2  GLN  71          1HE2      GLN  71  -6.555  -3.509  -5.020
  544   2HE2  GLN  71          2HE2      GLN  71  -5.232  -4.437  -5.541
  545    H    ILE  72           H        ILE  72  -6.144  -1.843  -1.514
  546    HA   ILE  72           HA       ILE  72  -4.814  -4.420  -1.799
  547    HB   ILE  72           HB       ILE  72  -4.816  -2.204   0.258
  548   1HG1  ILE  72          2HG1      ILE  72  -2.551  -3.589  -1.190
  549   2HG1  ILE  72          1HG1      ILE  72  -3.389  -2.185  -1.840
  550   1HG2  ILE  72          1HG2      ILE  72  -4.779  -4.141   1.676
  551   2HG2  ILE  72          2HG2      ILE  72  -3.109  -3.607   1.527
  552   3HG2  ILE  72          3HG2      ILE  72  -3.680  -4.991   0.596
  553   1HD1  ILE  72          1HD1      ILE  72  -2.813  -1.058   0.430
  554   2HD1  ILE  72          2HD1      ILE  72  -1.514  -1.261  -0.742
  555   3HD1  ILE  72          3HD1      ILE  72  -1.653  -2.372   0.620
  556    H    ASP  73           H        ASP  73  -7.582  -3.084  -0.075
  557    HA   ASP  73           HA       ASP  73  -8.001  -5.259   1.741
  558   1HB   ASP  73          2HB       ASP  73  -9.170  -3.104   1.983
  559   2HB   ASP  73          1HB       ASP  73 -10.072  -3.423   0.499
  560    H    ASP  74           H        ASP  74  -9.484  -4.613  -1.464
  561    HA   ASP  74           HA       ASP  74 -10.935  -7.084  -1.536
  562   1HB   ASP  74          2HB       ASP  74 -11.636  -6.431  -3.646
  563   2HB   ASP  74          1HB       ASP  74 -11.069  -4.876  -3.050
  564    H    ALA  75           H        ALA  75  -7.601  -6.303  -2.336
  565    HA   ALA  75           HA       ALA  75  -7.174  -8.758  -3.813
  566   1HB   ALA  75          1HB       ALA  75  -4.728  -8.240  -3.401
  567   2HB   ALA  75          2HB       ALA  75  -5.245  -6.847  -2.450
  568   3HB   ALA  75          3HB       ALA  75  -5.616  -6.926  -4.172
  569    H    LEU  76           H        LEU  76  -6.927  -7.743  -0.437
  570    HA   LEU  76           HA       LEU  76  -5.615 -10.015   0.590
  571   1HB   LEU  76          2HB       LEU  76  -6.799  -7.712   1.602
  572   2HB   LEU  76          1HB       LEU  76  -7.880  -8.946   2.206
  573    HG   LEU  76           HG       LEU  76  -5.051  -9.702   2.632
  574   1HD1  LEU  76          1HD1      LEU  76  -4.889  -7.180   2.761
  575   2HD1  LEU  76          2HD1      LEU  76  -4.421  -8.040   4.226
  576   3HD1  LEU  76          3HD1      LEU  76  -5.999  -7.258   4.129
  577   1HD2  LEU  76          1HD2      LEU  76  -7.408  -9.259   4.487
  578   2HD2  LEU  76          2HD2      LEU  76  -5.874  -9.984   4.964
  579   3HD2  LEU  76          3HD2      LEU  76  -6.906 -10.797   3.788
  580    H    LYS  77           H        LYS  77  -8.900  -9.447  -0.472
  581    HA   LYS  77           HA       LYS  77 -10.075 -11.860   0.491
  582   1HB   LYS  77          2HB       LYS  77 -11.252  -9.752  -0.361
  583   2HB   LYS  77          1HB       LYS  77 -10.835 -10.299  -1.988
  584   1HG   LYS  77          2HG       LYS  77 -12.970 -11.212  -1.709
  585   2HG   LYS  77          1HG       LYS  77 -11.916 -12.543  -1.249
  586   1HD   LYS  77          2HD       LYS  77 -12.191 -11.316   1.180
  587   2HD   LYS  77          1HD       LYS  77 -13.731 -10.887   0.447
  588   1HE   LYS  77          2HE       LYS  77 -13.793 -13.468  -0.190
  589   2HE   LYS  77          1HE       LYS  77 -12.656 -13.609   1.156
  590   1HZ   LYS  77          1HZ       LYS  77 -14.232 -12.612   2.615
  591   2HZ   LYS  77          2HZ       LYS  77 -15.042 -13.844   1.769
  592   3HZ   LYS  77          3HZ       LYS  77 -15.277 -12.218   1.338
  593    H    LEU  78           H        LEU  78  -8.635 -10.921  -2.635
  594    HA   LEU  78           HA       LEU  78  -9.066 -13.391  -3.971
  595   1HB   LEU  78          2HB       LEU  78  -7.268 -11.035  -4.291
  596   2HB   LEU  78          1HB       LEU  78  -6.727 -12.508  -5.105
  597    HG   LEU  78           HG       LEU  78  -8.924 -12.684  -6.234
  598   1HD1  LEU  78          1HD1      LEU  78 -10.447 -10.666  -6.086
  599   2HD1  LEU  78          2HD1      LEU  78  -9.480 -10.111  -4.720
  600   3HD1  LEU  78          3HD1      LEU  78 -10.378 -11.622  -4.609
  601   1HD2  LEU  78          1HD2      LEU  78  -7.923  -9.851  -6.615
  602   2HD2  LEU  78          2HD2      LEU  78  -8.502 -10.985  -7.835
  603   3HD2  LEU  78          3HD2      LEU  78  -6.928 -11.230  -7.076
  604    H    ALA  79           H        ALA  79  -6.640 -12.337  -1.691
  605    HA   ALA  79           HA       ALA  79  -4.865 -14.574  -1.939
  606   1HB   ALA  79          1HB       ALA  79  -5.440 -13.058   0.620
  607   2HB   ALA  79          2HB       ALA  79  -4.479 -12.365  -0.678
  608   3HB   ALA  79          3HB       ALA  79  -3.933 -13.825   0.140
  609    H    ASN  80           H        ASN  80  -7.552 -13.906   0.303
  610    HA   ASN  80           HA       ASN  80  -7.430 -16.542   1.480
  611   1HB   ASN  80          2HB       ASN  80  -8.436 -14.220   2.361
  612   2HB   ASN  80          1HB       ASN  80  -9.925 -14.901   1.709
  613   1HD2  ASN  80          1HD2      ASN  80  -7.096 -16.104   3.593
  614   2HD2  ASN  80          2HD2      ASN  80  -8.010 -17.020   4.659
  615    H    GLU  81           H        GLU  81  -8.796 -15.434  -1.472
  616    HA   GLU  81           HA       GLU  81 -10.904 -17.532  -1.477
  617   1HB   GLU  81          2HB       GLU  81 -10.196 -15.244  -3.292
  618   2HB   GLU  81          1HB       GLU  81 -11.230 -16.538  -3.887
  619   1HG   GLU  81          2HG       GLU  81 -12.749 -16.177  -1.968
  620   2HG   GLU  81          1HG       GLU  81 -11.735 -14.846  -1.425
  621    H    GLY  82           H        GLY  82  -7.620 -17.272  -2.364
  622   1HA   GLY  82          2HA       GLY  82  -6.408 -19.230  -3.138
  623   2HA   GLY  82          1HA       GLY  82  -7.871 -19.819  -3.909
  624    H    LYS  83           H        LYS  83  -7.376 -16.485  -4.447
  625    HA   LYS  83           HA       LYS  83  -6.507 -17.089  -7.241
  626   1HB   LYS  83          2HB       LYS  83  -7.297 -14.356  -6.274
  627   2HB   LYS  83          1HB       LYS  83  -7.398 -15.033  -7.892
  628   1HG   LYS  83          2HG       LYS  83  -9.115 -15.773  -5.526
  629   2HG   LYS  83          1HG       LYS  83  -9.616 -14.900  -6.965
  630   1HD   LYS  83          2HD       LYS  83  -8.737 -17.010  -8.256
  631   2HD   LYS  83          1HD       LYS  83  -8.898 -17.816  -6.695
  632   1HE   LYS  83          2HE       LYS  83 -10.948 -18.054  -8.080
  633   2HE   LYS  83          1HE       LYS  83 -11.266 -17.169  -6.588
  634   1HZ   LYS  83          1HZ       LYS  83 -10.538 -15.722  -9.052
  635   2HZ   LYS  83          2HZ       LYS  83 -11.399 -15.164  -7.699
  636   3HZ   LYS  83          3HZ       LYS  83 -12.140 -16.224  -8.801
  637    H    VAL  84           H        VAL  84  -4.362 -17.522  -6.677
  638    HA   VAL  84           HA       VAL  84  -2.666 -15.603  -5.315
  639    HB   VAL  84           HB       VAL  84  -1.861 -18.015  -6.977
  640   1HG1  VAL  84          1HG1      VAL  84  -0.024 -16.442  -6.483
  641   2HG1  VAL  84          2HG1      VAL  84   0.165 -17.945  -5.577
  642   3HG1  VAL  84          3HG1      VAL  84  -0.441 -16.501  -4.771
  643   1HG2  VAL  84          1HG2      VAL  84  -3.376 -18.762  -5.270
  644   2HG2  VAL  84          2HG2      VAL  84  -2.615 -17.725  -4.066
  645   3HG2  VAL  84          3HG2      VAL  84  -1.744 -19.119  -4.701
  646    H    LYS  85           H        LYS  85  -2.594 -16.818  -8.709
  647    HA   LYS  85           HA       LYS  85  -0.764 -14.889  -9.643
  648   1HB   LYS  85          2HB       LYS  85  -3.050 -16.288 -11.063
  649   2HB   LYS  85          1HB       LYS  85  -1.900 -15.248 -11.895
  650   1HG   LYS  85          2HG       LYS  85  -0.795 -17.263 -12.186
  651   2HG   LYS  85          1HG       LYS  85  -0.128 -16.836 -10.616
  652   1HD   LYS  85          2HD       LYS  85  -1.840 -18.194  -9.497
  653   2HD   LYS  85          1HD       LYS  85  -2.546 -18.605 -11.061
  654   1HE   LYS  85          2HE       LYS  85  -0.239 -19.507 -11.700
  655   2HE   LYS  85          1HE       LYS  85   0.181 -19.359  -9.994
  656   1HZ   LYS  85          1HZ       LYS  85  -2.315 -20.629 -10.228
  657   2HZ   LYS  85          2HZ       LYS  85  -0.870 -21.238  -9.577
  658   3HZ   LYS  85          3HZ       LYS  85  -1.205 -21.425 -11.234
  659    H    GLU  86           H        GLU  86  -4.272 -14.636  -9.184
  660    HA   GLU  86           HA       GLU  86  -4.503 -12.043 -10.434
  661   1HB   GLU  86          2HB       GLU  86  -6.206 -13.163  -8.185
  662   2HB   GLU  86          1HB       GLU  86  -6.629 -11.846  -9.280
  663   1HG   GLU  86          2HG       GLU  86  -6.306 -13.526 -11.199
  664   2HG   GLU  86          1HG       GLU  86  -6.354 -14.781  -9.961
  665    H    ALA  87           H        ALA  87  -3.950 -13.193  -7.118
  666    HA   ALA  87           HA       ALA  87  -3.886 -10.568  -5.950
  667   1HB   ALA  87          1HB       ALA  87  -2.655 -13.193  -5.081
  668   2HB   ALA  87          2HB       ALA  87  -4.154 -12.472  -4.498
  669   3HB   ALA  87          3HB       ALA  87  -2.604 -11.730  -4.097
  670    H    GLN  88           H        GLN  88  -1.312 -12.739  -7.058
  671    HA   GLN  88           HA       GLN  88   0.870 -10.986  -6.558
  672   1HB   GLN  88          2HB       GLN  88   1.916 -12.915  -7.136
  673   2HB   GLN  88          1HB       GLN  88   0.392 -13.600  -7.611
  674   1HG   GLN  88          2HG       GLN  88   0.674 -12.882  -9.886
  675   2HG   GLN  88          1HG       GLN  88   2.072 -11.910  -9.453
  676   1HE2  GLN  88          1HE2      GLN  88   1.184 -15.320  -8.661
  677   2HE2  GLN  88          2HE2      GLN  88   2.639 -15.967  -9.211
  678    H    ALA  89           H        ALA  89  -1.047 -11.555  -9.521
  679    HA   ALA  89           HA       ALA  89   0.269  -9.708 -11.206
  680   1HB   ALA  89          1HB       ALA  89  -2.681 -10.411 -11.055
  681   2HB   ALA  89          2HB       ALA  89  -1.470 -11.204 -12.061
  682   3HB   ALA  89          3HB       ALA  89  -1.935  -9.534 -12.391
  683    H    ALA  90           H        ALA  90  -2.094  -9.209  -8.631
  684    HA   ALA  90           HA       ALA  90  -2.605  -6.427  -9.197
  685   1HB   ALA  90          1HB       ALA  90  -2.637  -7.649  -6.428
  686   2HB   ALA  90          2HB       ALA  90  -3.900  -8.015  -7.604
  687   3HB   ALA  90          3HB       ALA  90  -3.652  -6.355  -7.066
  688    H    ALA  91           H        ALA  91  -0.111  -8.191  -7.448
  689    HA   ALA  91           HA       ALA  91   1.135  -6.166  -5.976
  690   1HB   ALA  91          1HB       ALA  91   1.892  -8.594  -6.171
  691   2HB   ALA  91          2HB       ALA  91   3.188  -7.398  -6.165
  692   3HB   ALA  91          3HB       ALA  91   2.679  -8.136  -7.683
  693    H    GLU  92           H        GLU  92   1.655  -6.964  -9.423
  694    HA   GLU  92           HA       GLU  92   3.387  -4.757  -9.967
  695   1HB   GLU  92          2HB       GLU  92   1.422  -6.168 -11.811
  696   2HB   GLU  92          1HB       GLU  92   2.687  -5.063 -12.339
  697   1HG   GLU  92          2HG       GLU  92   3.828  -7.070 -12.594
  698   2HG   GLU  92          1HG       GLU  92   4.245  -6.719 -10.918
  699    H    GLN  93           H        GLN  93  -0.103  -5.018  -9.600
  700    HA   GLN  93           HA       GLN  93  -0.668  -2.411 -10.765
  701   1HB   GLN  93          2HB       GLN  93  -2.322  -4.385 -10.407
  702   2HB   GLN  93          1HB       GLN  93  -2.385  -3.874  -8.728
  703   1HG   GLN  93          2HG       GLN  93  -2.826  -1.697 -10.727
  704   2HG   GLN  93          1HG       GLN  93  -4.077  -2.932 -10.660
  705   1HE2  GLN  93          1HE2      GLN  93  -2.108  -1.668  -7.923
  706   2HE2  GLN  93          2HE2      GLN  93  -3.427  -1.061  -7.052
  707    H    LEU  94           H        LEU  94  -0.094  -3.760  -7.542
  708    HA   LEU  94           HA       LEU  94  -0.539  -1.344  -6.067
  709   1HB   LEU  94          2HB       LEU  94   0.995  -3.881  -5.544
  710   2HB   LEU  94          1HB       LEU  94   1.133  -2.536  -4.421
  711    HG   LEU  94           HG       LEU  94  -1.433  -2.540  -4.306
  712   1HD1  LEU  94          1HD1      LEU  94  -1.847  -3.883  -6.333
  713   2HD1  LEU  94          2HD1      LEU  94  -2.494  -4.706  -4.912
  714   3HD1  LEU  94          3HD1      LEU  94  -0.973  -5.234  -5.614
  715   1HD2  LEU  94          1HD2      LEU  94   0.278  -4.826  -3.316
  716   2HD2  LEU  94          2HD2      LEU  94  -1.411  -4.676  -2.855
  717   3HD2  LEU  94          3HD2      LEU  94  -0.263  -3.408  -2.422
  718    H    LYS  95           H        LYS  95   2.343  -2.777  -7.577
  719    HA   LYS  95           HA       LYS  95   4.265  -0.844  -6.741
  720   1HB   LYS  95          2HB       LYS  95   4.057  -2.435  -9.325
  721   2HB   LYS  95          1HB       LYS  95   5.484  -1.521  -8.830
  722   1HG   LYS  95          2HG       LYS  95   5.095  -3.009  -6.572
  723   2HG   LYS  95          1HG       LYS  95   4.413  -4.104  -7.767
  724   1HD   LYS  95          2HD       LYS  95   6.753  -4.631  -7.511
  725   2HD   LYS  95          1HD       LYS  95   6.527  -3.897  -9.097
  726   1HE   LYS  95          2HE       LYS  95   7.745  -2.018  -8.533
  727   2HE   LYS  95          1HE       LYS  95   7.155  -2.002  -6.868
  728   1HZ   LYS  95          1HZ       LYS  95   8.731  -3.505  -6.200
  729   2HZ   LYS  95          2HZ       LYS  95   9.600  -2.647  -7.382
  730   3HZ   LYS  95          3HZ       LYS  95   8.937  -4.168  -7.747
  731    H    THR  96           H        THR  96   2.081  -0.930  -9.549
  732    HA   THR  96           HA       THR  96   2.944   1.595 -10.653
  733    HB   THR  96           HB       THR  96   0.219   0.289 -10.958
  734    HG1  THR  96           1HG      THR  96   1.104  -1.016 -12.421
  735   1HG2  THR  96          1HG2      THR  96   1.848   2.197 -12.650
  736   2HG2  THR  96          2HG2      THR  96   0.279   2.501 -11.905
  737   3HG2  THR  96          3HG2      THR  96   0.414   1.354 -13.239
  738    H    THR  97           H        THR  97   0.684   0.707  -8.106
  739    HA   THR  97           HA       THR  97  -0.731   3.197  -8.036
  740    HB   THR  97           HB       THR  97  -0.353   0.918  -6.189
  741    HG1  THR  97           1HG      THR  97  -2.653   2.232  -5.975
  742   1HG2  THR  97          1HG2      THR  97   0.371   2.586  -4.614
  743   2HG2  THR  97          2HG2      THR  97  -1.315   2.236  -4.257
  744   3HG2  THR  97          3HG2      THR  97  -0.892   3.700  -5.141
  745    H    ILE  98           H        ILE  98   2.315   2.049  -6.612
  746    HA   ILE  98           HA       ILE  98   2.980   4.207  -4.982
  747    HB   ILE  98           HB       ILE  98   4.864   2.778  -6.864
  748   1HG1  ILE  98          2HG1      ILE  98   4.125   2.164  -3.979
  749   2HG1  ILE  98          1HG1      ILE  98   3.595   1.232  -5.376
  750   1HG2  ILE  98          1HG2      ILE  98   6.505   3.433  -4.975
  751   2HG2  ILE  98          2HG2      ILE  98   5.247   4.545  -4.444
  752   3HG2  ILE  98          3HG2      ILE  98   5.958   4.716  -6.048
  753   1HD1  ILE  98          1HD1      ILE  98   5.438  -0.031  -4.821
  754   2HD1  ILE  98          2HD1      ILE  98   6.271   1.325  -4.067
  755   3HD1  ILE  98          3HD1      ILE  98   6.262   1.164  -5.824
  756    H    ARG  99           H        ARG  99   3.235   3.876  -8.507
  757    HA   ARG  99           HA       ARG  99   4.568   6.321  -8.993
  758   1HB   ARG  99          2HB       ARG  99   3.869   4.506 -10.703
  759   2HB   ARG  99          1HB       ARG  99   2.322   5.351 -10.762
  760   1HG   ARG  99          2HG       ARG  99   3.627   6.314 -12.515
  761   2HG   ARG  99          1HG       ARG  99   3.640   7.491 -11.200
  762   1HD   ARG  99          2HD       ARG  99   5.911   7.380 -11.072
  763   2HD   ARG  99          1HD       ARG  99   5.872   5.628 -10.898
  764    HE   ARG  99           HE       ARG  99   6.426   5.468 -13.171
  765   1HH1  ARG  99          1HH2      ARG  99   5.056   8.540 -12.407
  766   2HH1  ARG  99          2HH2      ARG  99   5.323   9.199 -13.987
  767   1HH2  ARG  99          1HH1      ARG  99   6.793   6.312 -15.226
  768   2HH2  ARG  99          2HH1      ARG  99   6.310   7.937 -15.585
  769    H    ALA 100           H        ALA 100   1.117   5.610  -8.576
  770    HA   ALA 100           HA       ALA 100   0.184   8.303  -8.933
  771   1HB   ALA 100          1HB       ALA 100  -1.888   7.515  -7.932
  772   2HB   ALA 100          2HB       ALA 100  -1.070   6.104  -7.262
  773   3HB   ALA 100          3HB       ALA 100  -1.269   6.260  -9.007
  774    H    TYR 101           H        TYR 101   1.599   6.589  -6.222
  775    HA   TYR 101           HA       TYR 101   0.717   8.497  -4.238
  776   1HB   TYR 101          2HB       TYR 101   1.373   6.410  -3.361
  777   2HB   TYR 101          1HB       TYR 101   2.830   6.370  -4.328
  778    HD1  TYR 101           1HD      TYR 101   4.814   7.529  -3.708
  779    HD2  TYR 101           2HD      TYR 101   1.261   7.818  -1.324
  780    HE1  TYR 101           1HE      TYR 101   6.131   8.553  -1.878
  781    HE2  TYR 101           2HE      TYR 101   2.574   8.843   0.512
  782    HH   TYR 101           HH       TYR 101   5.414   8.636   1.078
  783    H    ASN 102           H        ASN 102   3.335   8.291  -6.541
  784    HA   ASN 102           HA       ASN 102   4.976  10.282  -5.308
  785   1HB   ASN 102          2HB       ASN 102   6.138   8.995  -6.802
  786   2HB   ASN 102          1HB       ASN 102   4.889   9.076  -8.044
  787   1HD2  ASN 102          1HD2      ASN 102   5.679  12.147  -6.567
  788   2HD2  ASN 102          2HD2      ASN 102   6.654  12.733  -7.825
  789    H    GLN 103           H        GLN 103   2.382  10.577  -7.793
  790    HA   GLN 103           HA       GLN 103   2.852  13.407  -8.114
  791   1HB   GLN 103          2HB       GLN 103   0.287  13.481  -8.658
  792   2HB   GLN 103          1HB       GLN 103   1.354  12.626  -9.760
  793   1HG   GLN 103          2HG       GLN 103  -0.450  11.152  -9.484
  794   2HG   GLN 103          1HG       GLN 103   0.755  10.512  -8.384
  795   1HE2  GLN 103          1HE2      GLN 103  -0.372  13.375  -7.006
  796   2HE2  GLN 103          2HE2      GLN 103  -1.572  12.721  -6.002
  797    H    LYS 104           H        LYS 104   1.576  11.415  -5.678
  798    HA   LYS 104           HA       LYS 104   0.298  13.611  -4.182
  799   1HB   LYS 104          2HB       LYS 104  -0.863  11.843  -3.359
  800   2HB   LYS 104          1HB       LYS 104   0.238  10.718  -4.118
  801   1HG   LYS 104          2HG       LYS 104   1.714  10.779  -2.199
  802   2HG   LYS 104          1HG       LYS 104   0.779  12.078  -1.478
  803   1HD   LYS 104          2HD       LYS 104  -0.339   9.344  -2.106
  804   2HD   LYS 104          1HD       LYS 104   0.268   9.839  -0.532
  805   1HE   LYS 104          2HE       LYS 104  -1.460  11.890  -0.986
  806   2HE   LYS 104          1HE       LYS 104  -2.263  10.611  -1.895
  807   1HZ   LYS 104          1HZ       LYS 104  -2.870  10.816   0.515
  808   2HZ   LYS 104          2HZ       LYS 104  -1.311  10.243   0.881
  809   3HZ   LYS 104          3HZ       LYS 104  -2.394   9.270   0.007
  810    H    TYR 105           H        TYR 105   3.349  11.773  -4.186
  811    HA   TYR 105           HA       TYR 105   4.245  13.217  -1.790
  812   1HB   TYR 105          2HB       TYR 105   5.393  11.305  -1.452
  813   2HB   TYR 105          1HB       TYR 105   4.962  10.729  -3.045
  814    HD1  TYR 105           1HD      TYR 105   6.298  12.090  -4.988
  815    HD2  TYR 105           2HD      TYR 105   7.687  11.389  -1.000
  816    HE1  TYR 105           1HE      TYR 105   8.643  12.335  -5.772
  817    HE2  TYR 105           2HE      TYR 105  10.032  11.648  -1.763
  818    HH   TYR 105           HH       TYR 105  10.986  11.443  -4.863
  819    H    GLY 106           H        GLY 106   3.826  14.204  -4.772
  820   1HA   GLY 106          2HA       GLY 106   5.966  16.211  -4.569
  821   2HA   GLY 106          1HA       GLY 106   6.079  15.157  -5.981
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  14.740   4.957  11.968
    2   2H    ALA   1          2HT       ALA   1  16.237   5.246  11.219
    3   3H    ALA   1          3HT       ALA   1  15.505   3.718  11.099
    4    HA   ALA   1           HA       ALA   1  14.491   6.248   9.921
    5   1HB   ALA   1          1HB       ALA   1  14.980   5.152   7.784
    6   2HB   ALA   1          2HB       ALA   1  15.566   3.722   8.631
    7   3HB   ALA   1          3HB       ALA   1  16.445   5.245   8.760
    8    H    ASP   2           H        ASP   2  12.358   6.041  10.664
    9    HA   ASP   2           HA       ASP   2  10.921   3.481  10.415
   10   1HB   ASP   2          2HB       ASP   2  10.267   6.252  11.374
   11   2HB   ASP   2          1HB       ASP   2   8.962   5.104  11.069
   12    H    LEU   3           H        LEU   3  11.554   6.232   8.514
   13    HA   LEU   3           HA       LEU   3   9.115   5.974   6.880
   14   1HB   LEU   3          2HB       LEU   3  11.525   7.726   6.319
   15   2HB   LEU   3          1HB       LEU   3   9.886   7.920   5.700
   16    HG   LEU   3           HG       LEU   3  10.824   8.302   8.557
   17   1HD1  LEU   3          1HD1      LEU   3   9.355  10.211   6.732
   18   2HD1  LEU   3          2HD1      LEU   3  11.116  10.133   6.802
   19   3HD1  LEU   3          3HD1      LEU   3  10.195  10.578   8.239
   20   1HD2  LEU   3          1HD2      LEU   3   8.046   8.070   7.382
   21   2HD2  LEU   3          2HD2      LEU   3   8.345   8.966   8.872
   22   3HD2  LEU   3          3HD2      LEU   3   8.707   7.244   8.792
   23    H    GLU   4           H        GLU   4  12.631   5.652   6.456
   24    HA   GLU   4           HA       GLU   4  12.482   4.601   3.780
   25   1HB   GLU   4          2HB       GLU   4  14.678   3.990   5.772
   26   2HB   GLU   4          1HB       GLU   4  14.805   4.149   4.021
   27   1HG   GLU   4          2HG       GLU   4  14.240   6.559   4.212
   28   2HG   GLU   4          1HG       GLU   4  14.192   6.392   5.965
   29    H    ASP   5           H        ASP   5  12.063   3.379   6.966
   30    HA   ASP   5           HA       ASP   5  12.464   0.577   6.298
   31   1HB   ASP   5          2HB       ASP   5  12.793   1.143   8.561
   32   2HB   ASP   5          1HB       ASP   5  11.326   2.116   8.611
   33    H    ASN   6           H        ASN   6   9.552   2.586   6.895
   34    HA   ASN   6           HA       ASN   6   7.610   0.611   6.493
   35   1HB   ASN   6          2HB       ASN   6   6.606   2.574   7.185
   36   2HB   ASN   6          1HB       ASN   6   7.731   3.580   6.280
   37   1HD2  ASN   6          1HD2      ASN   6   7.413   3.201   3.743
   38   2HD2  ASN   6          2HD2      ASN   6   5.802   3.270   3.206
   39    H    TRP   7           H        TRP   7   9.311   2.591   4.075
   40    HA   TRP   7           HA       TRP   7   7.895   1.692   1.782
   41   1HB   TRP   7          2HB       TRP   7  10.703   2.709   2.233
   42   2HB   TRP   7          1HB       TRP   7  10.231   2.124   0.640
   43    HD1  TRP   7           HD       TRP   7   8.527   4.467   3.250
   44    HE1  TRP   7           1HE      TRP   7   7.646   6.532   1.991
   45    HE3  TRP   7           3HE      TRP   7  10.029   3.307  -1.490
   46    HZ2  TRP   7           2HZ      TRP   7   7.603   7.565  -0.677
   47    HZ3  TRP   7           3HZ      TRP   7   9.560   4.851  -3.370
   48    HH2  TRP   7           HH       TRP   7   8.348   6.977  -2.970
   49    H    GLU   8           H        GLU   8  10.898   0.362   3.222
   50    HA   GLU   8           HA       GLU   8  11.154  -1.805   1.435
   51   1HB   GLU   8          2HB       GLU   8  12.834  -1.013   3.172
   52   2HB   GLU   8          1HB       GLU   8  11.848  -1.843   4.375
   53   1HG   GLU   8          2HG       GLU   8  12.046  -3.909   2.953
   54   2HG   GLU   8          1HG       GLU   8  13.271  -3.063   2.012
   55    H    THR   9           H        THR   9   9.078  -1.303   4.235
   56    HA   THR   9           HA       THR   9   8.317  -4.067   4.515
   57    HB   THR   9           HB       THR   9   6.693  -1.617   5.265
   58    HG1  THR   9           1HG      THR   9   7.741  -1.764   7.224
   59   1HG2  THR   9          1HG2      THR   9   6.614  -4.524   6.086
   60   2HG2  THR   9          2HG2      THR   9   5.320  -3.569   5.364
   61   3HG2  THR   9          3HG2      THR   9   5.832  -3.250   7.021
   62    H    LEU  10           H        LEU  10   6.646  -1.304   2.975
   63    HA   LEU  10           HA       LEU  10   4.577  -2.879   1.789
   64   1HB   LEU  10          2HB       LEU  10   5.804  -0.448   0.466
   65   2HB   LEU  10          1HB       LEU  10   4.156  -1.036   0.316
   66    HG   LEU  10           HG       LEU  10   5.441   0.364   2.664
   67   1HD1  LEU  10          1HD1      LEU  10   4.360   1.689   0.847
   68   2HD1  LEU  10          2HD1      LEU  10   3.552   1.877   2.404
   69   3HD1  LEU  10          3HD1      LEU  10   2.851   0.834   1.166
   70   1HD2  LEU  10          1HD2      LEU  10   3.231  -0.074   3.830
   71   2HD2  LEU  10          2HD2      LEU  10   4.288  -1.479   3.685
   72   3HD2  LEU  10          3HD2      LEU  10   2.911  -1.295   2.598
   73    H    ASN  11           H        ASN  11   7.864  -2.048   0.818
   74    HA   ASN  11           HA       ASN  11   7.689  -3.278  -1.788
   75   1HB   ASN  11          2HB       ASN  11   9.507  -1.638  -0.690
   76   2HB   ASN  11          1HB       ASN  11  10.328  -3.159  -0.348
   77   1HD2  ASN  11          1HD2      ASN  11   9.204  -4.470  -2.836
   78   2HD2  ASN  11          2HD2      ASN  11  10.035  -3.772  -4.142
   79    H    ASP  12           H        ASP  12   9.188  -4.406   1.258
   80    HA   ASP  12           HA       ASP  12   9.816  -7.035   0.386
   81   1HB   ASP  12          2HB       ASP  12  10.763  -6.198   2.440
   82   2HB   ASP  12          1HB       ASP  12   9.166  -5.941   3.139
   83    H    ASN  13           H        ASN  13   6.775  -5.595   1.046
   84    HA   ASN  13           HA       ASN  13   5.344  -8.005   1.792
   85   1HB   ASN  13          2HB       ASN  13   4.776  -5.162   1.287
   86   2HB   ASN  13          1HB       ASN  13   3.552  -6.193   0.606
   87   1HD2  ASN  13          1HD2      ASN  13   3.373  -4.321   2.909
   88   2HD2  ASN  13          2HD2      ASN  13   2.827  -5.266   4.221
   89    H    LEU  14           H        LEU  14   5.525  -6.028  -1.171
   90    HA   LEU  14           HA       LEU  14   3.999  -7.682  -2.861
   91   1HB   LEU  14          2HB       LEU  14   6.319  -5.854  -3.503
   92   2HB   LEU  14          1HB       LEU  14   5.246  -6.544  -4.720
   93    HG   LEU  14           HG       LEU  14   4.030  -5.070  -2.390
   94   1HD1  LEU  14          1HD1      LEU  14   4.137  -2.989  -3.904
   95   2HD1  LEU  14          2HD1      LEU  14   5.454  -3.818  -4.734
   96   3HD1  LEU  14          3HD1      LEU  14   5.601  -3.426  -3.023
   97   1HD2  LEU  14          1HD2      LEU  14   3.257  -5.090  -5.318
   98   2HD2  LEU  14          2HD2      LEU  14   2.258  -4.668  -3.930
   99   3HD2  LEU  14          3HD2      LEU  14   2.727  -6.341  -4.192
  100    H    LYS  15           H        LYS  15   7.388  -7.972  -1.942
  101    HA   LYS  15           HA       LYS  15   8.036  -9.839  -4.040
  102   1HB   LYS  15          2HB       LYS  15   9.736  -8.595  -2.656
  103   2HB   LYS  15          1HB       LYS  15   9.310  -9.638  -1.299
  104   1HG   LYS  15          2HG       LYS  15   9.754 -11.540  -3.215
  105   2HG   LYS  15          1HG       LYS  15  10.853 -10.282  -3.776
  106   1HD   LYS  15          2HD       LYS  15  12.228 -11.472  -2.309
  107   2HD   LYS  15          1HD       LYS  15  11.617 -10.201  -1.252
  108   1HE   LYS  15          2HE       LYS  15  11.354 -12.238  -0.030
  109   2HE   LYS  15          1HE       LYS  15   9.739 -11.832  -0.617
  110   1HZ   LYS  15          1HZ       LYS  15   9.832 -13.447  -2.242
  111   2HZ   LYS  15          2HZ       LYS  15  10.615 -14.208  -0.941
  112   3HZ   LYS  15          3HZ       LYS  15  11.524 -13.548  -2.215
  113    H    VAL  16           H        VAL  16   6.942 -10.222  -0.671
  114    HA   VAL  16           HA       VAL  16   7.102 -13.052  -0.589
  115    HB   VAL  16           HB       VAL  16   5.209 -11.129   0.793
  116   1HG1  VAL  16          1HG1      VAL  16   4.082 -13.249   0.796
  117   2HG1  VAL  16          2HG1      VAL  16   4.856 -13.091   2.371
  118   3HG1  VAL  16          3HG1      VAL  16   5.582 -14.114   1.130
  119   1HG2  VAL  16          1HG2      VAL  16   6.681 -11.693   2.748
  120   2HG2  VAL  16          2HG2      VAL  16   7.548 -10.880   1.448
  121   3HG2  VAL  16          3HG2      VAL  16   7.707 -12.623   1.659
  122    H    ILE  17           H        ILE  17   4.803 -10.948  -2.184
  123    HA   ILE  17           HA       ILE  17   2.735 -12.946  -2.541
  124    HB   ILE  17           HB       ILE  17   3.222 -10.592  -4.373
  125   1HG1  ILE  17          2HG1      ILE  17   1.939 -10.615  -1.628
  126   2HG1  ILE  17          1HG1      ILE  17   3.414  -9.786  -2.102
  127   1HG2  ILE  17          1HG2      ILE  17   0.654 -11.824  -3.345
  128   2HG2  ILE  17          2HG2      ILE  17   1.420 -12.318  -4.853
  129   3HG2  ILE  17          3HG2      ILE  17   0.833 -10.666  -4.661
  130   1HD1  ILE  17          1HD1      ILE  17   1.786  -8.100  -2.235
  131   2HD1  ILE  17          2HD1      ILE  17   0.582  -9.183  -2.919
  132   3HD1  ILE  17          3HD1      ILE  17   1.938  -8.630  -3.904
  133    H    GLU  18           H        GLU  18   4.668 -11.453  -5.138
  134    HA   GLU  18           HA       GLU  18   4.256 -13.387  -7.096
  135   1HB   GLU  18          2HB       GLU  18   7.013 -12.208  -6.794
  136   2HB   GLU  18          1HB       GLU  18   6.037 -12.412  -8.253
  137   1HG   GLU  18          2HG       GLU  18   4.403 -10.739  -7.106
  138   2HG   GLU  18          1HG       GLU  18   5.769 -10.337  -6.086
  139    H    LYS  19           H        LYS  19   6.271 -13.548  -4.278
  140    HA   LYS  19           HA       LYS  19   7.298 -16.231  -5.144
  141   1HB   LYS  19          2HB       LYS  19   8.393 -14.087  -3.395
  142   2HB   LYS  19          1HB       LYS  19   8.653 -15.721  -2.810
  143   1HG   LYS  19          2HG       LYS  19  10.554 -15.231  -4.157
  144   2HG   LYS  19          1HG       LYS  19   9.547 -16.267  -5.144
  145   1HD   LYS  19          2HD       LYS  19   9.801 -14.649  -6.747
  146   2HD   LYS  19          1HD       LYS  19   8.537 -13.810  -5.857
  147   1HE   LYS  19          2HE       LYS  19  10.036 -12.092  -5.697
  148   2HE   LYS  19          1HE       LYS  19  10.880 -13.066  -4.501
  149   1HZ   LYS  19          1HZ       LYS  19  11.356 -13.344  -7.405
  150   2HZ   LYS  19          2HZ       LYS  19  12.304 -13.942  -6.129
  151   3HZ   LYS  19          3HZ       LYS  19  12.238 -12.271  -6.432
  152    H    ALA  20           H        ALA  20   4.714 -15.016  -3.550
  153    HA   ALA  20           HA       ALA  20   4.587 -16.476  -1.119
  154   1HB   ALA  20          1HB       ALA  20   2.474 -15.521  -3.048
  155   2HB   ALA  20          2HB       ALA  20   2.778 -14.989  -1.398
  156   3HB   ALA  20          3HB       ALA  20   2.019 -16.546  -1.701
  157    H    ASP  21           H        ASP  21   3.867 -17.379  -4.435
  158    HA   ASP  21           HA       ASP  21   3.563 -19.451  -5.454
  159   1HB   ASP  21          2HB       ASP  21   5.365 -20.111  -3.129
  160   2HB   ASP  21          1HB       ASP  21   4.792 -21.377  -4.208
  161    H    ASN  22           H        ASN  22   2.297 -18.887  -2.315
  162    HA   ASN  22           HA       ASN  22   0.213 -20.900  -2.853
  163   1HB   ASN  22          2HB       ASN  22   1.213 -20.844  -0.021
  164   2HB   ASN  22          1HB       ASN  22   0.402 -22.140  -0.902
  165   1HD2  ASN  22          1HD2      ASN  22   3.366 -20.218  -1.419
  166   2HD2  ASN  22          2HD2      ASN  22   4.358 -21.553  -1.704
  167    H    ALA  23           H        ALA  23  -1.765 -20.335  -1.950
  168    HA   ALA  23           HA       ALA  23  -2.352 -17.614  -1.615
  169   1HB   ALA  23          1HB       ALA  23  -4.005 -19.717  -0.242
  170   2HB   ALA  23          2HB       ALA  23  -3.892 -19.685  -2.000
  171   3HB   ALA  23          3HB       ALA  23  -4.535 -18.288  -1.133
  172    H    ALA  24           H        ALA  24  -1.493 -19.971   0.908
  173    HA   ALA  24           HA       ALA  24  -2.292 -18.452   3.158
  174   1HB   ALA  24          1HB       ALA  24  -0.001 -20.390   2.768
  175   2HB   ALA  24          2HB       ALA  24  -1.570 -20.700   3.513
  176   3HB   ALA  24          3HB       ALA  24  -0.388 -19.681   4.335
  177    H    GLN  25           H        GLN  25   0.901 -18.426   1.526
  178    HA   GLN  25           HA       GLN  25   1.995 -16.399   3.208
  179   1HB   GLN  25          2HB       GLN  25   2.841 -16.909   0.374
  180   2HB   GLN  25          1HB       GLN  25   3.821 -16.380   1.731
  181   1HG   GLN  25          2HG       GLN  25   3.160 -18.634   2.830
  182   2HG   GLN  25          1HG       GLN  25   2.650 -19.110   1.203
  183   1HE2  GLN  25          1HE2      GLN  25   4.231 -19.767  -0.215
  184   2HE2  GLN  25          2HE2      GLN  25   5.902 -19.688   0.074
  185    H    VAL  26           H        VAL  26  -0.238 -16.263   0.599
  186    HA   VAL  26           HA       VAL  26   0.367 -13.538  -0.238
  187    HB   VAL  26           HB       VAL  26  -2.246 -15.053  -0.556
  188   1HG1  VAL  26          1HG1      VAL  26  -1.181 -12.808  -2.287
  189   2HG1  VAL  26          2HG1      VAL  26  -2.185 -12.478  -0.883
  190   3HG1  VAL  26          3HG1      VAL  26  -2.823 -13.441  -2.209
  191   1HG2  VAL  26          1HG2      VAL  26  -1.422 -15.627  -2.793
  192   2HG2  VAL  26          2HG2      VAL  26  -0.289 -16.208  -1.586
  193   3HG2  VAL  26          3HG2      VAL  26   0.076 -14.750  -2.491
  194    H    LYS  27           H        LYS  27  -2.221 -14.957   1.852
  195    HA   LYS  27           HA       LYS  27  -3.399 -12.500   2.606
  196   1HB   LYS  27          2HB       LYS  27  -2.900 -14.920   4.373
  197   2HB   LYS  27          1HB       LYS  27  -3.971 -13.595   4.772
  198   1HG   LYS  27          2HG       LYS  27  -5.635 -14.769   3.757
  199   2HG   LYS  27          1HG       LYS  27  -4.868 -14.393   2.229
  200   1HD   LYS  27          2HD       LYS  27  -5.013 -16.741   2.173
  201   2HD   LYS  27          1HD       LYS  27  -3.369 -16.450   2.712
  202   1HE   LYS  27          2HE       LYS  27  -3.886 -16.956   4.967
  203   2HE   LYS  27          1HE       LYS  27  -5.623 -16.867   4.675
  204   1HZ   LYS  27          1HZ       LYS  27  -5.672 -18.911   3.759
  205   2HZ   LYS  27          2HZ       LYS  27  -4.292 -19.146   4.721
  206   3HZ   LYS  27          3HZ       LYS  27  -4.129 -18.777   3.070
  207    H    ASP  28           H        ASP  28  -0.681 -14.276   3.923
  208    HA   ASP  28           HA       ASP  28   0.023 -12.622   6.079
  209   1HB   ASP  28          2HB       ASP  28   1.880 -14.060   4.146
  210   2HB   ASP  28          1HB       ASP  28   2.302 -13.536   5.776
  211    H    ALA  29           H        ALA  29   0.767 -12.314   2.631
  212    HA   ALA  29           HA       ALA  29   2.514 -10.055   2.949
  213   1HB   ALA  29          1HB       ALA  29   2.523 -11.505   0.936
  214   2HB   ALA  29          2HB       ALA  29   2.312  -9.803   0.526
  215   3HB   ALA  29          3HB       ALA  29   0.925 -10.893   0.509
  216    H    LEU  30           H        LEU  30  -0.750 -10.131   1.454
  217    HA   LEU  30           HA       LEU  30  -1.113  -7.307   1.572
  218   1HB   LEU  30          2HB       LEU  30  -3.293  -9.408   1.591
  219   2HB   LEU  30          1HB       LEU  30  -3.432  -7.743   1.033
  220    HG   LEU  30           HG       LEU  30  -1.781  -9.960  -0.217
  221   1HD1  LEU  30          1HD1      LEU  30  -4.154  -8.306  -1.125
  222   2HD1  LEU  30          2HD1      LEU  30  -4.099 -10.046  -0.865
  223   3HD1  LEU  30          3HD1      LEU  30  -3.213  -9.332  -2.208
  224   1HD2  LEU  30          1HD2      LEU  30  -1.351  -8.071  -1.969
  225   2HD2  LEU  30          2HD2      LEU  30  -0.387  -8.073  -0.496
  226   3HD2  LEU  30          3HD2      LEU  30  -1.755  -6.969  -0.653
  227    H    THR  31           H        THR  31  -1.646  -9.775   4.006
  228    HA   THR  31           HA       THR  31  -3.361  -8.264   5.750
  229    HB   THR  31           HB       THR  31  -1.195 -10.305   6.360
  230    HG1  THR  31           1HG      THR  31  -3.266 -10.765   5.122
  231   1HG2  THR  31          1HG2      THR  31  -2.540 -10.554   8.529
  232   2HG2  THR  31          2HG2      THR  31  -3.292  -9.013   8.119
  233   3HG2  THR  31          3HG2      THR  31  -1.551  -9.101   8.387
  234    H    LYS  32           H        LYS  32   0.106  -8.489   5.329
  235    HA   LYS  32           HA       LYS  32   0.824  -6.701   7.473
  236   1HB   LYS  32          2HB       LYS  32   2.191  -7.894   5.078
  237   2HB   LYS  32          1HB       LYS  32   3.036  -6.723   6.097
  238   1HG   LYS  32          2HG       LYS  32   1.647  -9.042   7.426
  239   2HG   LYS  32          1HG       LYS  32   3.153  -9.366   6.578
  240   1HD   LYS  32          2HD       LYS  32   3.031  -7.053   8.502
  241   2HD   LYS  32          1HD       LYS  32   3.195  -8.690   9.134
  242   1HE   LYS  32          2HE       LYS  32   5.252  -9.040   8.006
  243   2HE   LYS  32          1HE       LYS  32   5.007  -7.647   6.953
  244   1HZ   LYS  32          1HZ       LYS  32   5.609  -7.658   9.848
  245   2HZ   LYS  32          2HZ       LYS  32   5.040  -6.277   9.038
  246   3HZ   LYS  32          3HZ       LYS  32   6.524  -6.976   8.595
  247    H    MET  33           H        MET  33   0.024  -6.306   4.065
  248    HA   MET  33           HA       MET  33   1.028  -3.636   3.706
  249   1HB   MET  33          2HB       MET  33  -1.296  -5.123   2.482
  250   2HB   MET  33          1HB       MET  33  -0.841  -3.498   1.972
  251   1HG   MET  33          2HG       MET  33   1.492  -4.411   1.554
  252   2HG   MET  33          1HG       MET  33   0.796  -6.020   1.760
  253   1HE   MET  33          1HE       MET  33   1.629  -6.631  -0.494
  254   2HE   MET  33          2HE       MET  33   2.255  -5.034  -0.892
  255   3HE   MET  33          3HE       MET  33   1.218  -5.874  -2.032
  256    H    ARG  34           H        ARG  34  -2.346  -4.642   4.042
  257    HA   ARG  34           HA       ARG  34  -3.520  -2.201   4.619
  258   1HB   ARG  34          2HB       ARG  34  -4.226  -4.992   5.003
  259   2HB   ARG  34          1HB       ARG  34  -4.751  -4.089   6.418
  260   1HG   ARG  34          2HG       ARG  34  -5.753  -2.417   4.624
  261   2HG   ARG  34          1HG       ARG  34  -5.638  -3.804   3.548
  262   1HD   ARG  34          2HD       ARG  34  -6.807  -4.934   5.781
  263   2HD   ARG  34          1HD       ARG  34  -7.499  -3.321   5.792
  264    HE   ARG  34           HE       ARG  34  -7.928  -4.077   3.196
  265   1HH1  ARG  34          1HH2      ARG  34  -8.337  -5.578   6.301
  266   2HH1  ARG  34          2HH2      ARG  34  -9.790  -6.411   5.869
  267   1HH2  ARG  34          1HH1      ARG  34  -9.914  -5.164   2.675
  268   2HH2  ARG  34          2HH1      ARG  34 -10.663  -6.183   3.841
  269    H    ALA  35           H        ALA  35  -1.512  -4.172   6.674
  270    HA   ALA  35           HA       ALA  35  -2.053  -2.633   9.103
  271   1HB   ALA  35          1HB       ALA  35  -0.120  -3.841  10.044
  272   2HB   ALA  35          2HB       ALA  35   0.281  -4.461   8.445
  273   3HB   ALA  35          3HB       ALA  35  -1.215  -4.959   9.233
  274    H    ALA  36           H        ALA  36   0.851  -2.885   6.993
  275    HA   ALA  36           HA       ALA  36   2.113  -0.554   8.095
  276   1HB   ALA  36          1HB       ALA  36   3.335  -2.263   6.779
  277   2HB   ALA  36          2HB       ALA  36   3.559  -0.651   6.099
  278   3HB   ALA  36          3HB       ALA  36   2.439  -1.783   5.338
  279    H    ALA  37           H        ALA  37  -0.183  -1.004   5.444
  280    HA   ALA  37           HA       ALA  37   0.012   1.556   4.249
  281   1HB   ALA  37          1HB       ALA  37  -2.598   0.083   4.670
  282   2HB   ALA  37          2HB       ALA  37  -1.403  -0.441   3.483
  283   3HB   ALA  37          3HB       ALA  37  -2.157   1.146   3.334
  284    H    LEU  38           H        LEU  38  -1.747   0.468   7.131
  285    HA   LEU  38           HA       LEU  38  -3.077   2.981   7.584
  286   1HB   LEU  38          2HB       LEU  38  -2.434   0.596   9.322
  287   2HB   LEU  38          1HB       LEU  38  -3.146   2.046  10.029
  288    HG   LEU  38           HG       LEU  38  -4.422   0.844   7.573
  289   1HD1  LEU  38          1HD1      LEU  38  -4.918  -0.098  10.415
  290   2HD1  LEU  38          2HD1      LEU  38  -4.108  -1.040   9.163
  291   3HD1  LEU  38          3HD1      LEU  38  -5.807  -0.608   8.980
  292   1HD2  LEU  38          1HD2      LEU  38  -6.428   1.839   8.492
  293   2HD2  LEU  38          2HD2      LEU  38  -5.157   3.054   8.586
  294   3HD2  LEU  38          3HD2      LEU  38  -5.627   2.161  10.029
  295    H    ASP  39           H        ASP  39   0.120   1.723   8.311
  296    HA   ASP  39           HA       ASP  39   0.739   3.978  10.107
  297   1HB   ASP  39          2HB       ASP  39   1.718   1.594  10.281
  298   2HB   ASP  39          1HB       ASP  39   2.738   2.046   8.916
  299    H    ALA  40           H        ALA  40   1.466   2.965   6.775
  300    HA   ALA  40           HA       ALA  40   3.356   4.985   6.147
  301   1HB   ALA  40          1HB       ALA  40   2.838   4.575   3.840
  302   2HB   ALA  40          2HB       ALA  40   1.219   4.000   4.236
  303   3HB   ALA  40          3HB       ALA  40   2.629   3.031   4.664
  304    H    GLN  41           H        GLN  41  -0.054   5.162   6.705
  305    HA   GLN  41           HA       GLN  41  -0.799   7.484   5.324
  306   1HB   GLN  41          2HB       GLN  41  -2.373   6.127   6.641
  307   2HB   GLN  41          1HB       GLN  41  -1.564   6.599   8.130
  308   1HG   GLN  41          2HG       GLN  41  -2.508   8.829   6.370
  309   2HG   GLN  41          1HG       GLN  41  -3.757   7.899   7.192
  310   1HE2  GLN  41          1HE2      GLN  41  -0.886   9.930   7.747
  311   2HE2  GLN  41          2HE2      GLN  41  -1.216  10.250   9.382
  312    H    LYS  42           H        LYS  42   0.622   7.244   8.592
  313    HA   LYS  42           HA       LYS  42   0.934  10.085   8.942
  314   1HB   LYS  42          2HB       LYS  42   2.166   7.671  10.278
  315   2HB   LYS  42          1HB       LYS  42   2.685   9.301  10.688
  316   1HG   LYS  42          2HG       LYS  42   1.023   8.824  12.282
  317   2HG   LYS  42          1HG       LYS  42   0.188   9.815  11.093
  318   1HD   LYS  42          2HD       LYS  42  -0.711   7.785  10.029
  319   2HD   LYS  42          1HD       LYS  42   0.152   6.788  11.187
  320   1HE   LYS  42          2HE       LYS  42  -1.131   7.705  13.027
  321   2HE   LYS  42          1HE       LYS  42  -1.903   8.873  11.953
  322   1HZ   LYS  42          1HZ       LYS  42  -3.410   7.374  11.392
  323   2HZ   LYS  42          2HZ       LYS  42  -2.757   6.307  12.542
  324   3HZ   LYS  42          3HZ       LYS  42  -2.217   6.261  10.932
  325    H    ALA  43           H        ALA  43   2.250   8.392   6.549
  326    HA   ALA  43           HA       ALA  43   5.054   9.192   6.829
  327   1HB   ALA  43          1HB       ALA  43   4.303   7.189   5.483
  328   2HB   ALA  43          2HB       ALA  43   5.353   8.298   4.605
  329   3HB   ALA  43          3HB       ALA  43   3.616   8.313   4.309
  330    H    THR  44           H        THR  44   5.867  11.147   6.262
  331    HA   THR  44           HA       THR  44   4.548  12.774   4.191
  332    HB   THR  44           HB       THR  44   3.311  13.310   6.296
  333    HG1  THR  44           1HG      THR  44   4.987  15.261   5.126
  334   1HG2  THR  44          1HG2      THR  44   5.731  13.058   7.565
  335   2HG2  THR  44          2HG2      THR  44   4.355  13.923   8.248
  336   3HG2  THR  44          3HG2      THR  44   5.617  14.808   7.402
  337    HA   PRO  45           HA       PRO  45   9.299  12.741   4.647
  338   1HB   PRO  45          2HB       PRO  45   8.758  12.838   1.692
  339   2HB   PRO  45          1HB       PRO  45  10.052  12.007   2.573
  340   1HG   PRO  45          2HG       PRO  45   7.931  10.660   1.673
  341   2HG   PRO  45          1HG       PRO  45   8.684  10.272   3.225
  342   1HD   PRO  45          2HD       PRO  45   6.077  11.616   2.708
  343   2HD   PRO  45          1HD       PRO  45   6.595  10.650   4.102
  344    HA   PRO  46           HA       PRO  46   9.071  17.002   2.608
  345   1HB   PRO  46          2HB       PRO  46   6.722  17.789   1.346
  346   2HB   PRO  46          1HB       PRO  46   8.045  16.923   0.549
  347   1HG   PRO  46          2HG       PRO  46   5.392  15.964   1.120
  348   2HG   PRO  46          1HG       PRO  46   6.712  15.112   0.313
  349   1HD   PRO  46          2HD       PRO  46   5.834  14.939   3.134
  350   2HD   PRO  46          1HD       PRO  46   6.714  13.750   2.163
  351    H    LYS  47           H        LYS  47   6.366  15.985   4.443
  352    HA   LYS  47           HA       LYS  47   5.416  16.887   6.378
  353   1HB   LYS  47          2HB       LYS  47   6.892  19.481   5.862
  354   2HB   LYS  47          1HB       LYS  47   6.159  18.928   7.351
  355   1HG   LYS  47          2HG       LYS  47   7.854  17.415   7.827
  356   2HG   LYS  47          1HG       LYS  47   8.308  17.216   6.142
  357   1HD   LYS  47          2HD       LYS  47   9.443  19.306   6.086
  358   2HD   LYS  47          1HD       LYS  47   8.710  19.828   7.603
  359   1HE   LYS  47          2HE       LYS  47  10.486  17.388   7.460
  360   2HE   LYS  47          1HE       LYS  47  11.150  19.003   7.705
  361   1HZ   LYS  47          1HZ       LYS  47   8.899  18.213   9.386
  362   2HZ   LYS  47          2HZ       LYS  47  10.254  19.171   9.760
  363   3HZ   LYS  47          3HZ       LYS  47  10.394  17.478   9.706
  364    H    LEU  48           H        LEU  48   3.338  16.922   5.606
  365    HA   LEU  48           HA       LEU  48   2.471  19.040   3.778
  366   1HB   LEU  48          2HB       LEU  48   1.659  16.454   4.161
  367   2HB   LEU  48          1HB       LEU  48   0.438  17.294   5.107
  368    HG   LEU  48           HG       LEU  48   1.140  18.035   2.254
  369   1HD1  LEU  48          1HD1      LEU  48  -0.818  16.775   1.552
  370   2HD1  LEU  48          2HD1      LEU  48  -1.186  16.348   3.222
  371   3HD1  LEU  48          3HD1      LEU  48   0.256  15.698   2.444
  372   1HD2  LEU  48          1HD2      LEU  48  -1.253  19.005   2.450
  373   2HD2  LEU  48          2HD2      LEU  48   0.037  19.862   3.289
  374   3HD2  LEU  48          3HD2      LEU  48  -1.052  18.809   4.191
  375    H    GLU  49           H        GLU  49   3.243  19.210   6.864
  376    HA   GLU  49           HA       GLU  49   0.839  20.738   7.759
  377   1HB   GLU  49          2HB       GLU  49   3.296  19.718   9.211
  378   2HB   GLU  49          1HB       GLU  49   2.126  20.808   9.955
  379   1HG   GLU  49          2HG       GLU  49   1.337  18.175   8.689
  380   2HG   GLU  49          1HG       GLU  49   1.732  18.335  10.401
  381    H    ASP  50           H        ASP  50   2.797  21.611   5.673
  382    HA   ASP  50           HA       ASP  50   3.378  24.266   6.856
  383   1HB   ASP  50          2HB       ASP  50   5.375  22.568   7.036
  384   2HB   ASP  50          1HB       ASP  50   5.574  22.894   5.317
  385    H    LYS  51           H        LYS  51   3.769  22.282   3.906
  386    HA   LYS  51           HA       LYS  51   3.725  24.546   2.155
  387   1HB   LYS  51          2HB       LYS  51   3.599  22.965   0.380
  388   2HB   LYS  51          1HB       LYS  51   4.569  22.216   1.631
  389   1HG   LYS  51          2HG       LYS  51   2.684  20.883   2.380
  390   2HG   LYS  51          1HG       LYS  51   1.602  21.702   1.263
  391   1HD   LYS  51          2HD       LYS  51   2.224  19.591   0.270
  392   2HD   LYS  51          1HD       LYS  51   3.013  20.880  -0.636
  393   1HE   LYS  51          2HE       LYS  51   5.125  20.408   0.295
  394   2HE   LYS  51          1HE       LYS  51   4.432  19.518   1.653
  395   1HZ   LYS  51          1HZ       LYS  51   3.541  18.208  -0.576
  396   2HZ   LYS  51          2HZ       LYS  51   4.790  17.701   0.457
  397   3HZ   LYS  51          3HZ       LYS  51   5.151  18.591  -0.945
  398    H    SER  52           H        SER  52   1.665  23.844   0.273
  399    HA   SER  52           HA       SER  52  -0.542  25.197   1.523
  400   1HB   SER  52          2HB       SER  52   0.049  25.371  -0.913
  401   2HB   SER  52          1HB       SER  52  -0.525  23.719  -1.118
  402    HG   SER  52           HG       SER  52  -2.092  25.429  -1.545
  403    HA   PRO  53           HA       PRO  53  -2.396  21.324   2.998
  404   1HB   PRO  53          2HB       PRO  53  -4.499  22.314   4.306
  405   2HB   PRO  53          1HB       PRO  53  -2.854  22.721   4.855
  406   1HG   PRO  53          2HG       PRO  53  -4.672  24.309   3.065
  407   2HG   PRO  53          1HG       PRO  53  -3.845  24.836   4.555
  408   1HD   PRO  53          2HD       PRO  53  -2.803  25.318   2.089
  409   2HD   PRO  53          1HD       PRO  53  -1.765  24.986   3.498
  410    H    ASP  54           H        ASP  54  -3.677  23.471   0.715
  411    HA   ASP  54           HA       ASP  54  -5.174  23.186  -1.021
  412   1HB   ASP  54          2HB       ASP  54  -5.787  20.402  -0.040
  413   2HB   ASP  54          1HB       ASP  54  -5.865  21.028  -1.681
  414    H    SER  55           H        SER  55  -7.411  20.981   0.305
  415    HA   SER  55           HA       SER  55  -8.728  22.847   2.070
  416   1HB   SER  55          2HB       SER  55  -9.466  24.157   0.319
  417   2HB   SER  55          1HB       SER  55  -9.438  22.820  -0.827
  418    HG   SER  55           HG       SER  55 -11.330  22.053   0.059
  419    HA   PRO  56           HA       PRO  56 -11.535  18.888   1.095
  420   1HB   PRO  56          2HB       PRO  56  -9.191  17.063   0.686
  421   2HB   PRO  56          1HB       PRO  56 -10.815  16.987  -0.033
  422   1HG   PRO  56          2HG       PRO  56  -8.810  17.858  -1.482
  423   2HG   PRO  56          1HG       PRO  56 -10.354  18.737  -1.523
  424   1HD   PRO  56          2HD       PRO  56  -7.848  19.420  -0.010
  425   2HD   PRO  56          1HD       PRO  56  -8.892  20.501  -0.966
  426    H    GLU  57           H        GLU  57 -10.242  20.095   3.413
  427    HA   GLU  57           HA       GLU  57  -9.688  19.595   5.647
  428   1HB   GLU  57          2HB       GLU  57 -12.038  18.518   5.273
  429   2HB   GLU  57          1HB       GLU  57 -11.166  16.986   5.221
  430   1HG   GLU  57          2HG       GLU  57 -10.204  17.452   7.447
  431   2HG   GLU  57          1HG       GLU  57 -11.069  18.988   7.500
  432    H    MET  58           H        MET  58  -8.098  18.578   3.308
  433    HA   MET  58           HA       MET  58  -6.158  17.358   2.980
  434   1HB   MET  58          2HB       MET  58  -6.257  16.460   5.856
  435   2HB   MET  58          1HB       MET  58  -4.868  16.799   4.838
  436   1HG   MET  58          2HG       MET  58  -4.793  18.813   5.907
  437   2HG   MET  58          1HG       MET  58  -6.138  19.270   4.863
  438   1HE   MET  58          1HE       MET  58  -4.815  17.960   8.056
  439   2HE   MET  58          2HE       MET  58  -6.087  16.746   8.162
  440   3HE   MET  58          3HE       MET  58  -6.093  18.114   9.268
  441    H    LYS  59           H        LYS  59  -9.100  16.222   3.835
  442    HA   LYS  59           HA       LYS  59  -9.009  13.476   4.271
  443   1HB   LYS  59          2HB       LYS  59 -11.046  14.969   4.010
  444   2HB   LYS  59          1HB       LYS  59 -10.794  14.893   2.261
  445   1HG   LYS  59          2HG       LYS  59 -10.862  12.237   3.633
  446   2HG   LYS  59          1HG       LYS  59 -12.378  13.127   3.679
  447   1HD   LYS  59          2HD       LYS  59 -12.482  13.259   1.289
  448   2HD   LYS  59          1HD       LYS  59 -10.825  12.681   1.119
  449   1HE   LYS  59          2HE       LYS  59 -12.410  10.860   0.655
  450   2HE   LYS  59          1HE       LYS  59 -11.490  10.515   2.120
  451   1HZ   LYS  59          1HZ       LYS  59 -13.803  12.019   2.742
  452   2HZ   LYS  59          2HZ       LYS  59 -13.347  10.479   3.297
  453   3HZ   LYS  59          3HZ       LYS  59 -14.239  10.639   1.859
  454    H    ASP  60           H        ASP  60  -8.874  15.192   1.181
  455    HA   ASP  60           HA       ASP  60  -8.716  13.024  -0.557
  456   1HB   ASP  60          2HB       ASP  60  -8.945  15.144  -1.518
  457   2HB   ASP  60          1HB       ASP  60  -7.607  15.825  -0.601
  458    H    PHE  61           H        PHE  61  -6.275  14.223   1.659
  459    HA   PHE  61           HA       PHE  61  -4.100  12.709   0.411
  460   1HB   PHE  61          2HB       PHE  61  -3.941  14.829   1.945
  461   2HB   PHE  61          1HB       PHE  61  -4.111  13.686   3.274
  462    HD1  PHE  61           1HD      PHE  61  -2.134  12.813   4.179
  463    HD2  PHE  61           2HD      PHE  61  -2.195  14.032   0.059
  464    HE1  PHE  61           1HE      PHE  61   0.277  12.262   3.978
  465    HE2  PHE  61           2HE      PHE  61   0.213  13.479  -0.140
  466    HZ   PHE  61           HZ       PHE  61   1.450  12.594   1.820
  467    H    ARG  62           H        ARG  62  -5.891  12.472   3.472
  468    HA   ARG  62           HA       ARG  62  -5.003   9.894   4.246
  469   1HB   ARG  62          2HB       ARG  62  -7.661  11.255   4.779
  470   2HB   ARG  62          1HB       ARG  62  -7.017   9.904   5.698
  471   1HG   ARG  62          2HG       ARG  62  -5.788  11.309   7.001
  472   2HG   ARG  62          1HG       ARG  62  -4.985  11.977   5.583
  473   1HD   ARG  62          2HD       ARG  62  -6.895  13.516   5.243
  474   2HD   ARG  62          1HD       ARG  62  -7.661  12.858   6.683
  475    HE   ARG  62           HE       ARG  62  -5.377  14.698   6.641
  476   1HH1  ARG  62          1HH2      ARG  62  -7.231  12.348   8.358
  477   2HH1  ARG  62          2HH2      ARG  62  -6.705  12.880   9.920
  478   1HH2  ARG  62          1HH1      ARG  62  -4.679  15.400   8.672
  479   2HH2  ARG  62          2HH1      ARG  62  -5.259  14.606  10.096
  480    H    HIS  63           H        HIS  63  -7.505  10.911   1.998
  481    HA   HIS  63           HA       HIS  63  -8.876   8.390   1.749
  482   1HB   HIS  63          2HB       HIS  63  -9.380  10.859   0.789
  483   2HB   HIS  63          1HB       HIS  63  -8.591  10.204  -0.641
  484    HD1  HIS  63           1HD      HIS  63 -10.706   8.128   1.685
  485    HD2  HIS  63           2HD      HIS  63 -10.986   9.822  -2.111
  486    HE1  HIS  63           1HE      HIS  63 -12.784   7.175   0.637
  487    H    GLY  64           H        GLY  64  -6.016   9.735   0.089
  488   1HA   GLY  64          2HA       GLY  64  -5.791   7.620  -1.812
  489   2HA   GLY  64          1HA       GLY  64  -4.446   8.608  -1.249
  490    H    PHE  65           H        PHE  65  -4.845   7.855   1.587
  491    HA   PHE  65           HA       PHE  65  -3.403   5.280   1.486
  492   1HB   PHE  65          2HB       PHE  65  -4.251   7.045   3.804
  493   2HB   PHE  65          1HB       PHE  65  -3.335   5.547   3.987
  494    HD1  PHE  65           1HD      PHE  65  -3.213   9.043   3.015
  495    HD2  PHE  65           2HD      PHE  65  -1.059   5.336   2.958
  496    HE1  PHE  65           1HE      PHE  65  -1.124  10.264   2.505
  497    HE2  PHE  65           2HE      PHE  65   1.036   6.560   2.441
  498    HZ   PHE  65           HZ       PHE  65   0.997   9.037   2.202
  499    H    ASP  66           H        ASP  66  -6.545   6.517   2.582
  500    HA   ASP  66           HA       ASP  66  -7.463   3.959   3.589
  501   1HB   ASP  66          2HB       ASP  66  -8.441   6.249   4.169
  502   2HB   ASP  66          1HB       ASP  66  -9.194   6.228   2.574
  503    H    ILE  67           H        ILE  67  -8.018   5.786   0.565
  504    HA   ILE  67           HA       ILE  67  -9.628   3.856  -0.728
  505    HB   ILE  67           HB       ILE  67  -7.634   5.861  -1.847
  506   1HG1  ILE  67          2HG1      ILE  67  -9.625   6.829  -0.752
  507   2HG1  ILE  67          1HG1      ILE  67  -9.691   7.090  -2.491
  508   1HG2  ILE  67          1HG2      ILE  67  -7.762   4.212  -3.549
  509   2HG2  ILE  67          2HG2      ILE  67  -8.914   5.459  -4.030
  510   3HG2  ILE  67          3HG2      ILE  67  -9.490   3.964  -3.293
  511   1HD1  ILE  67          1HD1      ILE  67 -11.426   5.409  -0.755
  512   2HD1  ILE  67          2HD1      ILE  67 -11.056   4.742  -2.343
  513   3HD1  ILE  67          3HD1      ILE  67 -11.832   6.314  -2.208
  514    H    LEU  68           H        LEU  68  -6.119   4.133  -0.460
  515    HA   LEU  68           HA       LEU  68  -5.374   2.068  -2.245
  516   1HB   LEU  68          2HB       LEU  68  -3.660   3.472  -1.343
  517   2HB   LEU  68          1HB       LEU  68  -4.136   3.113   0.313
  518    HG   LEU  68           HG       LEU  68  -3.325   0.829   0.106
  519   1HD1  LEU  68          1HD1      LEU  68  -2.025   0.306  -2.098
  520   2HD1  LEU  68          2HD1      LEU  68  -2.997   1.599  -2.798
  521   3HD1  LEU  68          3HD1      LEU  68  -3.780   0.171  -2.120
  522   1HD2  LEU  68          1HD2      LEU  68  -1.351   2.842  -1.015
  523   2HD2  LEU  68          2HD2      LEU  68  -0.920   1.298  -0.280
  524   3HD2  LEU  68          3HD2      LEU  68  -1.680   2.556   0.694
  525    H    VAL  69           H        VAL  69  -6.264   1.902   1.213
  526    HA   VAL  69           HA       VAL  69  -5.854  -0.895   1.512
  527    HB   VAL  69           HB       VAL  69  -7.605   1.127   2.915
  528   1HG1  VAL  69          1HG1      VAL  69  -8.897  -0.759   3.335
  529   2HG1  VAL  69          2HG1      VAL  69  -7.763  -0.817   4.683
  530   3HG1  VAL  69          3HG1      VAL  69  -7.517  -1.851   3.276
  531   1HG2  VAL  69          1HG2      VAL  69  -5.237   1.337   3.364
  532   2HG2  VAL  69          2HG2      VAL  69  -5.087  -0.395   3.655
  533   3HG2  VAL  69          3HG2      VAL  69  -5.990   0.614   4.785
  534    H    GLY  70           H        GLY  70  -8.250   0.904  -0.172
  535   1HA   GLY  70          2HA       GLY  70 -10.378  -1.049   0.036
  536   2HA   GLY  70          1HA       GLY  70 -10.314   0.282  -1.089
  537    H    GLN  71           H        GLN  71  -7.881  -0.362  -2.410
  538    HA   GLN  71           HA       GLN  71  -8.894  -2.487  -4.159
  539   1HB   GLN  71          2HB       GLN  71  -7.456  -1.672  -5.760
  540   2HB   GLN  71          1HB       GLN  71  -7.506  -0.254  -4.724
  541   1HG   GLN  71          2HG       GLN  71  -5.219  -0.511  -5.012
  542   2HG   GLN  71          1HG       GLN  71  -5.447  -1.413  -3.530
  543   1HE2  GLN  71          1HE2      GLN  71  -6.810  -3.673  -5.070
  544   2HE2  GLN  71          2HE2      GLN  71  -5.536  -4.488  -5.836
  545    H    ILE  72           H        ILE  72  -6.470  -2.088  -1.700
  546    HA   ILE  72           HA       ILE  72  -5.277  -4.714  -2.140
  547    HB   ILE  72           HB       ILE  72  -5.072  -2.556  -0.035
  548   1HG1  ILE  72          2HG1      ILE  72  -2.942  -4.169  -1.434
  549   2HG1  ILE  72          1HG1      ILE  72  -3.652  -2.726  -2.151
  550   1HG2  ILE  72          1HG2      ILE  72  -4.199  -5.445   0.300
  551   2HG2  ILE  72          2HG2      ILE  72  -5.216  -4.501   1.386
  552   3HG2  ILE  72          3HG2      ILE  72  -3.503  -4.118   1.230
  553   1HD1  ILE  72          1HD1      ILE  72  -2.547  -2.593   0.646
  554   2HD1  ILE  72          2HD1      ILE  72  -2.714  -1.312  -0.550
  555   3HD1  ILE  72          3HD1      ILE  72  -1.447  -2.521  -0.730
  556    H    ASP  73           H        ASP  73  -7.942  -3.304  -0.360
  557    HA   ASP  73           HA       ASP  73  -8.419  -5.472   1.427
  558   1HB   ASP  73          2HB       ASP  73  -9.633  -3.533   1.959
  559   2HB   ASP  73          1HB       ASP  73 -10.080  -3.262   0.272
  560    H    ASP  74           H        ASP  74  -9.881  -4.830  -1.792
  561    HA   ASP  74           HA       ASP  74 -11.364  -7.278  -1.886
  562   1HB   ASP  74          2HB       ASP  74 -11.767  -5.383  -3.442
  563   2HB   ASP  74          1HB       ASP  74 -10.202  -5.684  -4.200
  564    H    ALA  75           H        ALA  75  -8.002  -6.510  -2.660
  565    HA   ALA  75           HA       ALA  75  -7.516  -9.068  -3.933
  566   1HB   ALA  75          1HB       ALA  75  -5.998  -7.261  -4.467
  567   2HB   ALA  75          2HB       ALA  75  -5.079  -8.452  -3.545
  568   3HB   ALA  75          3HB       ALA  75  -5.651  -6.980  -2.760
  569    H    LEU  76           H        LEU  76  -7.310  -7.773  -0.649
  570    HA   LEU  76           HA       LEU  76  -5.903  -9.873   0.578
  571   1HB   LEU  76          2HB       LEU  76  -7.196  -7.565   1.384
  572   2HB   LEU  76          1HB       LEU  76  -8.263  -8.779   2.055
  573    HG   LEU  76           HG       LEU  76  -5.485  -9.494   2.651
  574   1HD1  LEU  76          1HD1      LEU  76  -5.177  -7.011   2.402
  575   2HD1  LEU  76          2HD1      LEU  76  -4.817  -7.630   4.014
  576   3HD1  LEU  76          3HD1      LEU  76  -6.341  -6.795   3.709
  577   1HD2  LEU  76          1HD2      LEU  76  -7.821  -8.659   4.396
  578   2HD2  LEU  76          2HD2      LEU  76  -6.332  -9.397   4.985
  579   3HD2  LEU  76          3HD2      LEU  76  -7.410 -10.309   3.928
  580    H    LYS  77           H        LYS  77  -9.146  -9.621  -0.642
  581    HA   LYS  77           HA       LYS  77 -10.222 -12.009   0.523
  582   1HB   LYS  77          2HB       LYS  77 -11.472 -10.016  -0.522
  583   2HB   LYS  77          1HB       LYS  77 -11.049 -10.719  -2.087
  584   1HG   LYS  77          2HG       LYS  77 -13.127 -11.710  -1.686
  585   2HG   LYS  77          1HG       LYS  77 -12.012 -12.924  -1.058
  586   1HD   LYS  77          2HD       LYS  77 -12.345 -11.369   1.182
  587   2HD   LYS  77          1HD       LYS  77 -13.913 -11.152   0.412
  588   1HE   LYS  77          2HE       LYS  77 -14.156 -13.632   0.280
  589   2HE   LYS  77          1HE       LYS  77 -12.609 -13.807   1.116
  590   1HZ   LYS  77          1HZ       LYS  77 -13.546 -13.346   3.067
  591   2HZ   LYS  77          2HZ       LYS  77 -15.044 -13.595   2.305
  592   3HZ   LYS  77          3HZ       LYS  77 -14.415 -12.024   2.454
  593    H    LEU  78           H        LEU  78  -8.897 -11.209  -2.686
  594    HA   LEU  78           HA       LEU  78  -9.167 -13.774  -3.847
  595   1HB   LEU  78          2HB       LEU  78  -7.488 -11.348  -4.321
  596   2HB   LEU  78          1HB       LEU  78  -6.913 -12.835  -5.079
  597    HG   LEU  78           HG       LEU  78  -9.097 -13.146  -6.167
  598   1HD1  LEU  78          1HD1      LEU  78  -9.810 -10.711  -4.527
  599   2HD1  LEU  78          2HD1      LEU  78 -10.686 -12.233  -4.680
  600   3HD1  LEU  78          3HD1      LEU  78 -10.683 -11.083  -6.014
  601   1HD2  LEU  78          1HD2      LEU  78  -8.430 -10.253  -6.705
  602   2HD2  LEU  78          2HD2      LEU  78  -8.746 -11.558  -7.849
  603   3HD2  LEU  78          3HD2      LEU  78  -7.197 -11.476  -7.010
  604    H    ALA  79           H        ALA  79  -6.746 -12.430  -1.692
  605    HA   ALA  79           HA       ALA  79  -4.865 -14.598  -1.843
  606   1HB   ALA  79          1HB       ALA  79  -3.948 -13.679   0.198
  607   2HB   ALA  79          2HB       ALA  79  -5.463 -12.856   0.569
  608   3HB   ALA  79          3HB       ALA  79  -4.482 -12.322  -0.789
  609    H    ASN  80           H        ASN  80  -7.535 -13.871   0.416
  610    HA   ASN  80           HA       ASN  80  -7.269 -16.373   1.831
  611   1HB   ASN  80          2HB       ASN  80  -8.415 -14.049   2.504
  612   2HB   ASN  80          1HB       ASN  80  -9.863 -14.856   1.896
  613   1HD2  ASN  80          1HD2      ASN  80  -7.006 -15.758   3.891
  614   2HD2  ASN  80          2HD2      ASN  80  -7.877 -16.637   5.018
  615    H    GLU  81           H        GLU  81  -8.737 -15.593  -1.181
  616    HA   GLU  81           HA       GLU  81 -10.681 -17.835  -0.989
  617   1HB   GLU  81          2HB       GLU  81 -10.163 -15.692  -3.045
  618   2HB   GLU  81          1HB       GLU  81 -11.226 -17.056  -3.377
  619   1HG   GLU  81          2HG       GLU  81 -11.551 -15.284  -0.945
  620   2HG   GLU  81          1HG       GLU  81 -12.379 -14.972  -2.472
  621    H    GLY  82           H        GLY  82  -7.459 -17.372  -1.952
  622   1HA   GLY  82          2HA       GLY  82  -6.071 -19.232  -2.618
  623   2HA   GLY  82          1HA       GLY  82  -7.483 -20.036  -3.285
  624    H    LYS  83           H        LYS  83  -7.296 -16.723  -4.138
  625    HA   LYS  83           HA       LYS  83  -6.511 -17.506  -6.906
  626   1HB   LYS  83          2HB       LYS  83  -7.411 -14.741  -6.160
  627   2HB   LYS  83          1HB       LYS  83  -7.610 -15.593  -7.676
  628   1HG   LYS  83          2HG       LYS  83  -9.086 -16.087  -5.104
  629   2HG   LYS  83          1HG       LYS  83  -9.748 -15.499  -6.619
  630   1HD   LYS  83          2HD       LYS  83  -8.855 -17.732  -7.627
  631   2HD   LYS  83          1HD       LYS  83  -8.787 -18.277  -5.954
  632   1HE   LYS  83          2HE       LYS  83 -10.933 -18.946  -6.646
  633   2HE   LYS  83          1HE       LYS  83 -11.242 -17.429  -5.802
  634   1HZ   LYS  83          1HZ       LYS  83 -11.714 -18.080  -8.510
  635   2HZ   LYS  83          2HZ       LYS  83 -10.634 -16.770  -8.422
  636   3HZ   LYS  83          3HZ       LYS  83 -12.151 -16.678  -7.661
  637    H    VAL  84           H        VAL  84  -4.296 -17.750  -6.395
  638    HA   VAL  84           HA       VAL  84  -2.683 -15.567  -5.346
  639    HB   VAL  84           HB       VAL  84  -1.750 -18.070  -6.781
  640   1HG1  VAL  84          1HG1      VAL  84  -0.045 -16.315  -6.555
  641   2HG1  VAL  84          2HG1      VAL  84   0.315 -17.662  -5.474
  642   3HG1  VAL  84          3HG1      VAL  84  -0.397 -16.181  -4.832
  643   1HG2  VAL  84          1HG2      VAL  84  -3.059 -18.846  -4.958
  644   2HG2  VAL  84          2HG2      VAL  84  -2.511 -17.540  -3.910
  645   3HG2  VAL  84          3HG2      VAL  84  -1.404 -18.839  -4.348
  646    H    LYS  85           H        LYS  85  -2.791 -17.151  -8.560
  647    HA   LYS  85           HA       LYS  85  -1.097 -15.371  -9.904
  648   1HB   LYS  85          2HB       LYS  85  -3.638 -16.691 -10.920
  649   2HB   LYS  85          1HB       LYS  85  -2.472 -15.874 -11.954
  650   1HG   LYS  85          2HG       LYS  85  -1.564 -17.986 -12.137
  651   2HG   LYS  85          1HG       LYS  85  -0.776 -17.552 -10.625
  652   1HD   LYS  85          2HD       LYS  85  -2.514 -18.687  -9.344
  653   2HD   LYS  85          1HD       LYS  85  -3.435 -19.008 -10.812
  654   1HE   LYS  85          2HE       LYS  85  -1.805 -20.529 -11.629
  655   2HE   LYS  85          1HE       LYS  85  -0.599 -19.984 -10.465
  656   1HZ   LYS  85          1HZ       LYS  85  -1.294 -21.760  -9.314
  657   2HZ   LYS  85          2HZ       LYS  85  -2.782 -21.855 -10.130
  658   3HZ   LYS  85          3HZ       LYS  85  -2.580 -20.756  -8.850
  659    H    GLU  86           H        GLU  86  -4.520 -14.999  -9.093
  660    HA   GLU  86           HA       GLU  86  -4.846 -12.469 -10.437
  661   1HB   GLU  86          2HB       GLU  86  -6.430 -13.656  -8.126
  662   2HB   GLU  86          1HB       GLU  86  -6.922 -12.294  -9.137
  663   1HG   GLU  86          2HG       GLU  86  -8.036 -14.200 -10.051
  664   2HG   GLU  86          1HG       GLU  86  -6.714 -13.823 -11.151
  665    H    ALA  87           H        ALA  87  -4.158 -13.439  -7.062
  666    HA   ALA  87           HA       ALA  87  -4.080 -10.732  -6.078
  667   1HB   ALA  87          1HB       ALA  87  -3.093 -11.658  -4.082
  668   2HB   ALA  87          2HB       ALA  87  -2.565 -13.099  -4.952
  669   3HB   ALA  87          3HB       ALA  87  -4.284 -12.823  -4.663
  670    H    GLN  88           H        GLN  88  -1.666 -12.901  -7.367
  671    HA   GLN  88           HA       GLN  88   0.692 -11.379  -6.879
  672   1HB   GLN  88          2HB       GLN  88   1.143 -13.551  -7.510
  673   2HB   GLN  88          1HB       GLN  88  -0.217 -13.625  -8.621
  674   1HG   GLN  88          2HG       GLN  88   0.971 -12.670 -10.380
  675   2HG   GLN  88          1HG       GLN  88   2.121 -11.906  -9.300
  676   1HE2  GLN  88          1HE2      GLN  88   1.180 -15.288  -8.867
  677   2HE2  GLN  88          2HE2      GLN  88   2.663 -15.948  -9.308
  678    H    ALA  89           H        ALA  89  -1.057 -11.704  -9.987
  679    HA   ALA  89           HA       ALA  89   0.243  -9.675 -11.395
  680   1HB   ALA  89          1HB       ALA  89  -2.739 -10.186 -11.577
  681   2HB   ALA  89          2HB       ALA  89  -1.529 -11.249 -12.296
  682   3HB   ALA  89          3HB       ALA  89  -1.677  -9.580 -12.848
  683    H    ALA  90           H        ALA  90  -2.358  -9.335  -8.993
  684    HA   ALA  90           HA       ALA  90  -2.861  -6.543  -9.464
  685   1HB   ALA  90          1HB       ALA  90  -3.230  -8.388  -7.107
  686   2HB   ALA  90          2HB       ALA  90  -4.451  -7.530  -8.045
  687   3HB   ALA  90          3HB       ALA  90  -3.450  -6.651  -6.889
  688    H    ALA  91           H        ALA  91  -0.425  -8.308  -7.619
  689    HA   ALA  91           HA       ALA  91   0.757  -6.228  -6.145
  690   1HB   ALA  91          1HB       ALA  91   2.360  -8.278  -7.695
  691   2HB   ALA  91          2HB       ALA  91   1.468  -8.689  -6.230
  692   3HB   ALA  91          3HB       ALA  91   2.780  -7.515  -6.165
  693    H    GLU  92           H        GLU  92   1.226  -7.083  -9.580
  694    HA   GLU  92           HA       GLU  92   3.127  -5.009 -10.130
  695   1HB   GLU  92          2HB       GLU  92   1.324  -6.758 -11.759
  696   2HB   GLU  92          1HB       GLU  92   1.942  -5.303 -12.544
  697   1HG   GLU  92          2HG       GLU  92   4.175  -5.991 -12.372
  698   2HG   GLU  92          1HG       GLU  92   3.841  -7.099 -11.041
  699    H    GLN  93           H        GLN  93  -0.315  -5.022  -9.641
  700    HA   GLN  93           HA       GLN  93  -0.799  -2.436 -10.886
  701   1HB   GLN  93          2HB       GLN  93  -2.529  -4.307 -10.293
  702   2HB   GLN  93          1HB       GLN  93  -2.457  -3.670  -8.657
  703   1HG   GLN  93          2HG       GLN  93  -2.901  -1.609 -10.766
  704   2HG   GLN  93          1HG       GLN  93  -4.203  -2.776 -10.573
  705   1HE2  GLN  93          1HE2      GLN  93  -2.073  -1.549  -7.944
  706   2HE2  GLN  93          2HE2      GLN  93  -3.326  -0.804  -7.070
  707    H    LEU  94           H        LEU  94  -0.018  -3.713  -7.708
  708    HA   LEU  94           HA       LEU  94  -0.203  -1.223  -6.279
  709   1HB   LEU  94          2HB       LEU  94   1.096  -3.886  -5.765
  710   2HB   LEU  94          1HB       LEU  94   1.459  -2.529  -4.700
  711    HG   LEU  94           HG       LEU  94  -1.008  -2.232  -4.337
  712   1HD1  LEU  94          1HD1      LEU  94  -1.093  -4.821  -5.906
  713   2HD1  LEU  94          2HD1      LEU  94  -1.859  -3.300  -6.355
  714   3HD1  LEU  94          3HD1      LEU  94  -2.436  -4.203  -4.953
  715   1HD2  LEU  94          1HD2      LEU  94   0.516  -3.589  -2.842
  716   2HD2  LEU  94          2HD2      LEU  94  -0.038  -5.022  -3.714
  717   3HD2  LEU  94          3HD2      LEU  94  -1.175  -4.061  -2.789
  718    H    LYS  95           H        LYS  95   2.502  -2.994  -7.780
  719    HA   LYS  95           HA       LYS  95   4.617  -1.281  -7.085
  720   1HB   LYS  95          2HB       LYS  95   4.085  -2.746  -9.699
  721   2HB   LYS  95          1HB       LYS  95   5.633  -2.013  -9.270
  722   1HG   LYS  95          2HG       LYS  95   5.118  -3.535  -7.014
  723   2HG   LYS  95          1HG       LYS  95   4.377  -4.520  -8.258
  724   1HD   LYS  95          2HD       LYS  95   6.651  -5.250  -8.045
  725   2HD   LYS  95          1HD       LYS  95   6.536  -4.362  -9.562
  726   1HE   LYS  95          2HE       LYS  95   7.827  -2.597  -8.776
  727   2HE   LYS  95          1HE       LYS  95   7.285  -2.794  -7.107
  728   1HZ   LYS  95          1HZ       LYS  95   8.620  -4.806  -6.960
  729   2HZ   LYS  95          2HZ       LYS  95   9.577  -3.458  -7.353
  730   3HZ   LYS  95          3HZ       LYS  95   9.160  -4.586  -8.554
  731    H    THR  96           H        THR  96   2.151  -0.944  -9.598
  732    HA   THR  96           HA       THR  96   3.208   1.559 -10.644
  733    HB   THR  96           HB       THR  96   0.481   0.243 -10.870
  734    HG1  THR  96           1HG      THR  96   1.289  -0.119 -13.013
  735   1HG2  THR  96          1HG2      THR  96   0.093   2.565 -11.214
  736   2HG2  THR  96          2HG2      THR  96   0.261   1.876 -12.829
  737   3HG2  THR  96          3HG2      THR  96   1.604   2.761 -12.103
  738    H    THR  97           H        THR  97   0.919   0.655  -8.075
  739    HA   THR  97           HA       THR  97  -0.251   3.226  -7.695
  740    HB   THR  97           HB       THR  97   0.303   0.946  -5.799
  741    HG1  THR  97           1HG      THR  97  -1.947   2.147  -6.986
  742   1HG2  THR  97          1HG2      THR  97  -0.715   3.697  -5.135
  743   2HG2  THR  97          2HG2      THR  97   0.552   2.770  -4.327
  744   3HG2  THR  97          3HG2      THR  97  -1.139   2.289  -4.158
  745    H    ILE  98           H        ILE  98   2.676   1.734  -6.332
  746    HA   ILE  98           HA       ILE  98   3.619   3.765  -4.687
  747    HB   ILE  98           HB       ILE  98   5.164   2.078  -6.644
  748   1HG1  ILE  98          2HG1      ILE  98   3.556   0.994  -4.846
  749   2HG1  ILE  98          1HG1      ILE  98   5.169   0.346  -5.078
  750   1HG2  ILE  98          1HG2      ILE  98   5.997   3.707  -4.247
  751   2HG2  ILE  98          2HG2      ILE  98   6.652   3.753  -5.884
  752   3HG2  ILE  98          3HG2      ILE  98   6.982   2.369  -4.841
  753   1HD1  ILE  98          1HD1      ILE  98   4.697   2.512  -3.039
  754   2HD1  ILE  98          2HD1      ILE  98   5.981   1.307  -3.092
  755   3HD1  ILE  98          3HD1      ILE  98   4.343   0.829  -2.648
  756    H    ARG  99           H        ARG  99   3.860   3.443  -8.227
  757    HA   ARG  99           HA       ARG  99   5.446   5.776  -8.610
  758   1HB   ARG  99          2HB       ARG  99   5.093   4.027 -10.346
  759   2HB   ARG  99          1HB       ARG  99   3.430   4.580 -10.525
  760   1HG   ARG  99          2HG       ARG  99   4.049   6.363 -11.816
  761   2HG   ARG  99          1HG       ARG  99   5.329   6.828 -10.697
  762   1HD   ARG  99          2HD       ARG  99   6.746   4.980 -11.684
  763   2HD   ARG  99          1HD       ARG  99   5.490   4.751 -12.903
  764    HE   ARG  99           HE       ARG  99   6.135   7.497 -12.888
  765   1HH1  ARG  99          1HH2      ARG  99   7.609   4.439 -13.482
  766   2HH1  ARG  99          2HH2      ARG  99   8.715   5.051 -14.666
  767   1HH2  ARG  99          1HH1      ARG  99   7.572   8.317 -14.433
  768   2HH2  ARG  99          2HH1      ARG  99   8.695   7.247 -15.204
  769    H    ALA 100           H        ALA 100   1.914   5.311  -9.007
  770    HA   ALA 100           HA       ALA 100   1.311   8.089  -9.379
  771   1HB   ALA 100          1HB       ALA 100  -1.025   7.369  -8.647
  772   2HB   ALA 100          2HB       ALA 100  -0.355   5.755  -8.405
  773   3HB   ALA 100          3HB       ALA 100  -0.352   6.479 -10.013
  774    H    TYR 101           H        TYR 101   2.133   6.254  -6.580
  775    HA   TYR 101           HA       TYR 101   0.850   8.026  -4.675
  776   1HB   TYR 101          2HB       TYR 101   1.348   5.827  -3.895
  777   2HB   TYR 101          1HB       TYR 101   2.990   5.932  -4.484
  778    HD1  TYR 101           1HD      TYR 101   4.651   7.355  -3.405
  779    HD2  TYR 101           2HD      TYR 101   0.744   6.757  -1.746
  780    HE1  TYR 101           1HE      TYR 101   5.443   8.230  -1.234
  781    HE2  TYR 101           2HE      TYR 101   1.533   7.628   0.432
  782    HH   TYR 101           HH       TYR 101   4.411   9.314   0.810
  783    H    ASN 102           H        ASN 102   3.919   7.841  -6.386
  784    HA   ASN 102           HA       ASN 102   5.250   9.796  -4.769
  785   1HB   ASN 102          2HB       ASN 102   6.906   8.836  -5.949
  786   2HB   ASN 102          1HB       ASN 102   5.836   8.375  -7.270
  787   1HD2  ASN 102          1HD2      ASN 102   6.424  11.741  -6.126
  788   2HD2  ASN 102          2HD2      ASN 102   7.162  12.263  -7.565
  789    H    GLN 103           H        GLN 103   3.276  10.177  -7.775
  790    HA   GLN 103           HA       GLN 103   3.843  13.002  -7.866
  791   1HB   GLN 103          2HB       GLN 103   1.693  13.208  -9.178
  792   2HB   GLN 103          1HB       GLN 103   2.839  12.050  -9.845
  793   1HG   GLN 103          2HG       GLN 103   0.751  10.942  -9.906
  794   2HG   GLN 103          1HG       GLN 103   1.580  10.279  -8.505
  795   1HE2  GLN 103          1HE2      GLN 103   0.533  10.505  -6.487
  796   2HE2  GLN 103          2HE2      GLN 103  -0.832  11.473  -6.229
  797    H    LYS 104           H        LYS 104   2.145  11.002  -5.764
  798    HA   LYS 104           HA       LYS 104   0.465  13.147  -4.622
  799   1HB   LYS 104          2HB       LYS 104  -0.692  11.358  -3.831
  800   2HB   LYS 104          1HB       LYS 104   0.539  10.275  -4.444
  801   1HG   LYS 104          2HG       LYS 104   1.816  10.535  -2.349
  802   2HG   LYS 104          1HG       LYS 104   0.622  11.662  -1.756
  803   1HD   LYS 104          2HD       LYS 104  -0.002   8.820  -2.560
  804   2HD   LYS 104          1HD       LYS 104   0.342   9.326  -0.915
  805   1HE   LYS 104          2HE       LYS 104  -2.054   9.958  -2.616
  806   2HE   LYS 104          1HE       LYS 104  -1.997   9.377  -0.957
  807   1HZ   LYS 104          1HZ       LYS 104  -2.631  11.696  -1.038
  808   2HZ   LYS 104          2HZ       LYS 104  -1.202  12.089  -1.869
  809   3HZ   LYS 104          3HZ       LYS 104  -1.131  11.524  -0.267
  810    H    TYR 105           H        TYR 105   3.574  11.548  -4.085
  811    HA   TYR 105           HA       TYR 105   4.054  13.186  -1.683
  812   1HB   TYR 105          2HB       TYR 105   5.197  11.344  -1.024
  813   2HB   TYR 105          1HB       TYR 105   5.027  10.636  -2.620
  814    HD1  TYR 105           1HD      TYR 105   6.573  11.677  -4.451
  815    HD2  TYR 105           2HD      TYR 105   7.364  11.847  -0.256
  816    HE1  TYR 105           1HE      TYR 105   8.987  12.036  -4.936
  817    HE2  TYR 105           2HE      TYR 105   9.776  12.211  -0.716
  818    HH   TYR 105           HH       TYR 105  11.383  11.978  -2.390
  819    H    GLY 106           H        GLY 106   4.060  13.833  -4.802
  820   1HA   GLY 106          2HA       GLY 106   6.695  15.126  -5.032
  821   2HA   GLY 106          1HA       GLY 106   5.407  15.171  -6.238
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  14.408   5.492  11.973
    2   2H    ALA   1          2HT       ALA   1  15.459   6.567  11.182
    3   3H    ALA   1          3HT       ALA   1  16.041   5.083  11.768
    4    HA   ALA   1           HA       ALA   1  14.618   5.682   9.319
    5   1HB   ALA   1          1HB       ALA   1  16.348   3.339  10.169
    6   2HB   ALA   1          2HB       ALA   1  16.981   4.841   9.495
    7   3HB   ALA   1          3HB       ALA   1  15.939   3.807   8.518
    8    H    ASP   2           H        ASP   2  12.807   5.166  11.468
    9    HA   ASP   2           HA       ASP   2  11.954   2.353  11.221
   10   1HB   ASP   2          2HB       ASP   2  11.013   4.762  12.766
   11   2HB   ASP   2          1HB       ASP   2   9.967   3.348  12.617
   12    H    LEU   3           H        LEU   3  11.188   5.469   9.863
   13    HA   LEU   3           HA       LEU   3   8.686   4.444   8.686
   14   1HB   LEU   3          2HB       LEU   3   8.195   6.642   8.000
   15   2HB   LEU   3          1HB       LEU   3   9.001   6.865   9.545
   16    HG   LEU   3           HG       LEU   3  11.159   7.022   7.936
   17   1HD1  LEU   3          1HD1      LEU   3  10.773   7.788   5.778
   18   2HD1  LEU   3          2HD1      LEU   3   9.193   8.461   6.181
   19   3HD1  LEU   3          3HD1      LEU   3   9.378   6.727   5.954
   20   1HD2  LEU   3          1HD2      LEU   3  10.676   8.789   9.453
   21   2HD2  LEU   3          2HD2      LEU   3   9.166   9.183   8.628
   22   3HD2  LEU   3          3HD2      LEU   3  10.712   9.546   7.860
   23    H    GLU   4           H        GLU   4  12.018   5.135   7.866
   24    HA   GLU   4           HA       GLU   4  11.729   4.785   5.006
   25   1HB   GLU   4          2HB       GLU   4  14.141   4.238   6.771
   26   2HB   GLU   4          1HB       GLU   4  14.157   4.430   5.024
   27   1HG   GLU   4          2HG       GLU   4  13.159   6.604   6.865
   28   2HG   GLU   4          1HG       GLU   4  14.842   6.489   6.362
   29    H    ASP   5           H        ASP   5  11.892   2.866   7.847
   30    HA   ASP   5           HA       ASP   5  12.576   0.370   6.539
   31   1HB   ASP   5          2HB       ASP   5  13.020   0.452   8.861
   32   2HB   ASP   5          1HB       ASP   5  11.447   1.158   9.223
   33    H    ASN   6           H        ASN   6   9.602   2.076   7.384
   34    HA   ASN   6           HA       ASN   6   7.734   0.018   6.827
   35   1HB   ASN   6          2HB       ASN   6   6.533   1.786   7.669
   36   2HB   ASN   6          1HB       ASN   6   7.711   2.957   7.095
   37   1HD2  ASN   6          1HD2      ASN   6   7.628   3.126   4.497
   38   2HD2  ASN   6          2HD2      ASN   6   6.065   3.259   3.849
   39    H    TRP   7           H        TRP   7   9.357   2.335   4.675
   40    HA   TRP   7           HA       TRP   7   7.982   1.664   2.276
   41   1HB   TRP   7          2HB       TRP   7  10.756   2.720   2.865
   42   2HB   TRP   7          1HB       TRP   7  10.297   2.319   1.210
   43    HD1  TRP   7           HD       TRP   7   8.827   4.412   4.132
   44    HE1  TRP   7           1HE      TRP   7   7.766   6.537   3.146
   45    HE3  TRP   7           3HE      TRP   7   9.627   3.551  -0.834
   46    HZ2  TRP   7           2HZ      TRP   7   7.314   7.718   0.581
   47    HZ3  TRP   7           3HZ      TRP   7   8.872   5.195  -2.528
   48    HH2  TRP   7           HH       TRP   7   7.718   7.275  -1.828
   49    H    GLU   8           H        GLU   8  10.940   0.224   3.693
   50    HA   GLU   8           HA       GLU   8  11.283  -1.710   1.632
   51   1HB   GLU   8          2HB       GLU   8  12.991  -1.118   3.359
   52   2HB   GLU   8          1HB       GLU   8  11.989  -1.929   4.564
   53   1HG   GLU   8          2HG       GLU   8  12.231  -4.021   3.509
   54   2HG   GLU   8          1HG       GLU   8  12.944  -3.313   2.064
   55    H    THR   9           H        THR   9   9.184  -1.519   4.441
   56    HA   THR   9           HA       THR   9   8.475  -4.309   4.499
   57    HB   THR   9           HB       THR   9   6.878  -1.933   5.502
   58    HG1  THR   9           1HG      THR   9   8.081  -2.037   7.231
   59   1HG2  THR   9          1HG2      THR   9   6.733  -4.889   6.130
   60   2HG2  THR   9          2HG2      THR   9   5.510  -3.940   5.285
   61   3HG2  THR   9          3HG2      THR   9   5.844  -3.630   6.988
   62    H    LEU  10           H        LEU  10   6.476  -1.523   3.357
   63    HA   LEU  10           HA       LEU  10   4.595  -3.200   2.052
   64   1HB   LEU  10          2HB       LEU  10   3.971  -1.229   0.687
   65   2HB   LEU  10          1HB       LEU  10   4.083  -0.860   2.401
   66    HG   LEU  10           HG       LEU  10   6.621  -0.248   1.676
   67   1HD1  LEU  10          1HD1      LEU  10   6.377  -0.701  -0.698
   68   2HD1  LEU  10          2HD1      LEU  10   6.488   1.041  -0.481
   69   3HD1  LEU  10          3HD1      LEU  10   4.923   0.291  -0.779
   70   1HD2  LEU  10          1HD2      LEU  10   5.214   1.300   2.870
   71   2HD2  LEU  10          2HD2      LEU  10   4.156   1.496   1.472
   72   3HD2  LEU  10          3HD2      LEU  10   5.797   2.138   1.431
   73    H    ASN  11           H        ASN  11   7.770  -2.058   1.074
   74    HA   ASN  11           HA       ASN  11   7.525  -2.893  -1.696
   75   1HB   ASN  11          2HB       ASN  11   9.280  -1.298  -0.770
   76   2HB   ASN  11          1HB       ASN  11  10.099  -2.718  -0.110
   77   1HD2  ASN  11          1HD2      ASN  11   8.638  -1.704  -3.270
   78   2HD2  ASN  11          2HD2      ASN  11   9.871  -2.376  -4.223
   79    H    ASP  12           H        ASP  12   9.417  -4.352   0.967
   80    HA   ASP  12           HA       ASP  12   9.939  -6.817  -0.336
   81   1HB   ASP  12          2HB       ASP  12  11.209  -6.256   1.614
   82   2HB   ASP  12          1HB       ASP  12   9.758  -6.087   2.600
   83    H    ASN  13           H        ASN  13   6.993  -5.606   0.819
   84    HA   ASN  13           HA       ASN  13   5.727  -8.104   1.565
   85   1HB   ASN  13          2HB       ASN  13   4.995  -5.278   1.226
   86   2HB   ASN  13          1HB       ASN  13   3.744  -6.337   0.643
   87   1HD2  ASN  13          1HD2      ASN  13   3.963  -4.525   3.118
   88   2HD2  ASN  13          2HD2      ASN  13   3.497  -5.541   4.405
   89    H    LEU  14           H        LEU  14   5.582  -5.976  -1.281
   90    HA   LEU  14           HA       LEU  14   3.999  -7.599  -2.942
   91   1HB   LEU  14          2HB       LEU  14   6.237  -5.704  -3.685
   92   2HB   LEU  14          1HB       LEU  14   5.020  -6.314  -4.808
   93    HG   LEU  14           HG       LEU  14   4.102  -4.991  -2.257
   94   1HD1  LEU  14          1HD1      LEU  14   5.055  -3.540  -4.735
   95   2HD1  LEU  14          2HD1      LEU  14   5.707  -3.386  -3.105
   96   3HD1  LEU  14          3HD1      LEU  14   4.080  -2.806  -3.464
   97   1HD2  LEU  14          1HD2      LEU  14   2.215  -4.363  -3.676
   98   2HD2  LEU  14          2HD2      LEU  14   2.491  -6.096  -3.803
   99   3HD2  LEU  14          3HD2      LEU  14   3.023  -5.019  -5.094
  100    H    LYS  15           H        LYS  15   7.383  -7.942  -2.098
  101    HA   LYS  15           HA       LYS  15   8.052  -9.601  -4.364
  102   1HB   LYS  15          2HB       LYS  15   9.800  -8.568  -2.970
  103   2HB   LYS  15          1HB       LYS  15   9.286  -9.541  -1.595
  104   1HG   LYS  15          2HG       LYS  15   9.743 -11.336  -3.837
  105   2HG   LYS  15          1HG       LYS  15  11.141 -10.274  -3.690
  106   1HD   LYS  15          2HD       LYS  15   9.980 -11.731  -1.304
  107   2HD   LYS  15          1HD       LYS  15  11.212 -12.448  -2.342
  108   1HE   LYS  15          2HE       LYS  15  12.671 -10.470  -1.920
  109   2HE   LYS  15          1HE       LYS  15  11.462  -9.850  -0.797
  110   1HZ   LYS  15          1HZ       LYS  15  12.753 -12.509  -0.549
  111   2HZ   LYS  15          2HZ       LYS  15  11.728 -11.760   0.580
  112   3HZ   LYS  15          3HZ       LYS  15  13.273 -11.121   0.276
  113    H    VAL  16           H        VAL  16   7.269 -10.494  -0.959
  114    HA   VAL  16           HA       VAL  16   7.238 -13.278  -1.436
  115    HB   VAL  16           HB       VAL  16   5.596 -13.462   0.466
  116   1HG1  VAL  16          1HG1      VAL  16   8.150 -11.886   0.713
  117   2HG1  VAL  16          2HG1      VAL  16   7.880 -13.606   1.002
  118   3HG1  VAL  16          3HG1      VAL  16   7.230 -12.411   2.124
  119   1HG2  VAL  16          1HG2      VAL  16   4.804 -11.569   1.601
  120   2HG2  VAL  16          2HG2      VAL  16   4.618 -11.126  -0.092
  121   3HG2  VAL  16          3HG2      VAL  16   5.971 -10.492   0.844
  122    H    ILE  17           H        ILE  17   4.911 -10.905  -2.523
  123    HA   ILE  17           HA       ILE  17   2.740 -12.812  -2.842
  124    HB   ILE  17           HB       ILE  17   3.111 -10.313  -4.514
  125   1HG1  ILE  17          2HG1      ILE  17   2.071 -10.599  -1.689
  126   2HG1  ILE  17          1HG1      ILE  17   3.506  -9.728  -2.195
  127   1HG2  ILE  17          1HG2      ILE  17   0.703 -10.344  -4.594
  128   2HG2  ILE  17          2HG2      ILE  17   0.621 -11.609  -3.368
  129   3HG2  ILE  17          3HG2      ILE  17   1.245 -11.978  -4.975
  130   1HD1  ILE  17          1HD1      ILE  17   1.855  -8.041  -1.975
  131   2HD1  ILE  17          2HD1      ILE  17   0.620  -9.046  -2.731
  132   3HD1  ILE  17          3HD1      ILE  17   1.918  -8.361  -3.708
  133    H    GLU  18           H        GLU  18   4.491 -11.166  -5.500
  134    HA   GLU  18           HA       GLU  18   3.893 -13.004  -7.520
  135   1HB   GLU  18          2HB       GLU  18   6.698 -11.941  -7.484
  136   2HB   GLU  18          1HB       GLU  18   5.503 -11.912  -8.783
  137   1HG   GLU  18          2HG       GLU  18   4.210 -10.261  -7.251
  138   2HG   GLU  18          1HG       GLU  18   5.732 -10.092  -6.394
  139    H    LYS  19           H        LYS  19   6.115 -13.298  -4.869
  140    HA   LYS  19           HA       LYS  19   7.119 -15.906  -5.937
  141   1HB   LYS  19          2HB       LYS  19   8.247 -13.828  -4.149
  142   2HB   LYS  19          1HB       LYS  19   8.524 -15.473  -3.587
  143   1HG   LYS  19          2HG       LYS  19  10.378 -14.858  -4.987
  144   2HG   LYS  19          1HG       LYS  19   9.406 -16.022  -5.873
  145   1HD   LYS  19          2HD       LYS  19   9.215 -14.534  -7.588
  146   2HD   LYS  19          1HD       LYS  19   8.324 -13.451  -6.521
  147   1HE   LYS  19          2HE       LYS  19  10.184 -12.197  -7.339
  148   2HE   LYS  19          1HE       LYS  19  10.585 -12.632  -5.676
  149   1HZ   LYS  19          1HZ       LYS  19  12.334 -13.777  -6.381
  150   2HZ   LYS  19          2HZ       LYS  19  12.054 -13.186  -7.949
  151   3HZ   LYS  19          3HZ       LYS  19  11.390 -14.674  -7.468
  152    H    ALA  20           H        ALA  20   4.601 -14.817  -4.081
  153    HA   ALA  20           HA       ALA  20   4.657 -16.506  -1.790
  154   1HB   ALA  20          1HB       ALA  20   2.435 -15.276  -3.408
  155   2HB   ALA  20          2HB       ALA  20   2.829 -15.037  -1.711
  156   3HB   ALA  20          3HB       ALA  20   2.021 -16.512  -2.233
  157    H    ASP  21           H        ASP  21   3.367 -17.022  -5.038
  158    HA   ASP  21           HA       ASP  21   3.082 -18.976  -6.274
  159   1HB   ASP  21          2HB       ASP  21   5.399 -19.404  -4.738
  160   2HB   ASP  21          1HB       ASP  21   4.438 -20.846  -4.443
  161    H    ASN  22           H        ASN  22   2.023 -18.653  -3.040
  162    HA   ASN  22           HA       ASN  22  -0.136 -20.601  -3.605
  163   1HB   ASN  22          2HB       ASN  22   1.012 -20.684  -0.828
  164   2HB   ASN  22          1HB       ASN  22   0.108 -21.919  -1.708
  165   1HD2  ASN  22          1HD2      ASN  22   3.092 -20.051  -2.284
  166   2HD2  ASN  22          2HD2      ASN  22   4.025 -21.388  -2.722
  167    H    ALA  23           H        ALA  23  -2.073 -20.048  -2.654
  168    HA   ALA  23           HA       ALA  23  -2.571 -17.335  -2.049
  169   1HB   ALA  23          1HB       ALA  23  -4.788 -17.979  -1.680
  170   2HB   ALA  23          2HB       ALA  23  -4.325 -19.533  -0.983
  171   3HB   ALA  23          3HB       ALA  23  -4.180 -19.268  -2.720
  172    H    ALA  24           H        ALA  24  -1.512 -19.905   0.070
  173    HA   ALA  24           HA       ALA  24  -2.393 -18.773   2.543
  174   1HB   ALA  24          1HB       ALA  24  -1.595 -21.031   2.547
  175   2HB   ALA  24          2HB       ALA  24  -0.451 -20.100   3.512
  176   3HB   ALA  24          3HB       ALA  24  -0.044 -20.553   1.857
  177    H    GLN  25           H        GLN  25   0.776 -18.482   0.906
  178    HA   GLN  25           HA       GLN  25   1.830 -16.596   2.779
  179   1HB   GLN  25          2HB       GLN  25   2.733 -16.790  -0.082
  180   2HB   GLN  25          1HB       GLN  25   3.685 -16.471   1.358
  181   1HG   GLN  25          2HG       GLN  25   2.935 -18.864   2.100
  182   2HG   GLN  25          1HG       GLN  25   2.536 -19.085   0.391
  183   1HE2  GLN  25          1HE2      GLN  25   4.349 -18.707  -1.177
  184   2HE2  GLN  25          2HE2      GLN  25   5.944 -19.027  -0.691
  185    H    VAL  26           H        VAL  26  -0.385 -16.243   0.167
  186    HA   VAL  26           HA       VAL  26   0.234 -13.467  -0.441
  187    HB   VAL  26           HB       VAL  26  -2.395 -14.927  -0.865
  188   1HG1  VAL  26          1HG1      VAL  26  -2.330 -12.335  -0.971
  189   2HG1  VAL  26          2HG1      VAL  26  -2.974 -13.174  -2.374
  190   3HG1  VAL  26          3HG1      VAL  26  -1.330 -12.542  -2.403
  191   1HG2  VAL  26          1HG2      VAL  26  -1.607 -15.479  -3.056
  192   2HG2  VAL  26          2HG2      VAL  26  -0.281 -15.892  -1.978
  193   3HG2  VAL  26          3HG2      VAL  26  -0.219 -14.406  -2.909
  194    H    LYS  27           H        LYS  27  -2.341 -15.015   1.582
  195    HA   LYS  27           HA       LYS  27  -3.483 -12.605   2.531
  196   1HB   LYS  27          2HB       LYS  27  -2.927 -15.118   4.133
  197   2HB   LYS  27          1HB       LYS  27  -4.028 -13.844   4.613
  198   1HG   LYS  27          2HG       LYS  27  -5.710 -14.849   3.463
  199   2HG   LYS  27          1HG       LYS  27  -4.812 -14.673   1.970
  200   1HD   LYS  27          2HD       LYS  27  -5.233 -17.026   2.232
  201   2HD   LYS  27          1HD       LYS  27  -3.536 -16.765   2.594
  202   1HE   LYS  27          2HE       LYS  27  -3.823 -17.087   4.885
  203   2HE   LYS  27          1HE       LYS  27  -5.543 -16.705   4.830
  204   1HZ   LYS  27          1HZ       LYS  27  -4.161 -19.188   4.119
  205   2HZ   LYS  27          2HZ       LYS  27  -5.595 -18.795   3.297
  206   3HZ   LYS  27          3HZ       LYS  27  -5.599 -18.964   4.988
  207    H    ASP  28           H        ASP  28  -0.928 -14.597   3.878
  208    HA   ASP  28           HA       ASP  28  -0.111 -13.019   6.028
  209   1HB   ASP  28          2HB       ASP  28   1.675 -14.599   4.146
  210   2HB   ASP  28          1HB       ASP  28   2.043 -14.178   5.818
  211    H    ALA  29           H        ALA  29   0.764 -12.786   2.607
  212    HA   ALA  29           HA       ALA  29   2.749 -10.746   2.967
  213   1HB   ALA  29          1HB       ALA  29   1.087 -11.412   0.525
  214   2HB   ALA  29          2HB       ALA  29   2.649 -12.122   0.931
  215   3HB   ALA  29          3HB       ALA  29   2.532 -10.405   0.545
  216    H    LEU  30           H        LEU  30  -0.426 -10.398   1.357
  217    HA   LEU  30           HA       LEU  30  -0.461  -7.572   1.515
  218   1HB   LEU  30          2HB       LEU  30  -2.647  -9.631   1.222
  219   2HB   LEU  30          1HB       LEU  30  -3.018  -7.913   1.288
  220    HG   LEU  30           HG       LEU  30  -0.988  -9.039  -0.643
  221   1HD1  LEU  30          1HD1      LEU  30  -3.953  -8.576  -1.101
  222   2HD1  LEU  30          2HD1      LEU  30  -3.151 -10.145  -1.041
  223   3HD1  LEU  30          3HD1      LEU  30  -2.782  -9.016  -2.345
  224   1HD2  LEU  30          1HD2      LEU  30  -0.708  -6.873  -1.240
  225   2HD2  LEU  30          2HD2      LEU  30  -1.799  -6.369   0.047
  226   3HD2  LEU  30          3HD2      LEU  30  -2.430  -6.693  -1.565
  227    H    THR  31           H        THR  31  -1.256  -9.978   3.924
  228    HA   THR  31           HA       THR  31  -2.870  -8.372   5.662
  229    HB   THR  31           HB       THR  31  -0.887 -10.596   6.241
  230    HG1  THR  31           1HG      THR  31  -2.695 -11.269   5.105
  231   1HG2  THR  31          1HG2      THR  31  -1.062  -9.445   8.302
  232   2HG2  THR  31          2HG2      THR  31  -2.256 -10.737   8.426
  233   3HG2  THR  31          3HG2      THR  31  -2.774  -9.092   8.059
  234    H    LYS  32           H        LYS  32   0.598  -8.765   5.259
  235    HA   LYS  32           HA       LYS  32   1.320  -7.019   7.455
  236   1HB   LYS  32          2HB       LYS  32   2.697  -8.411   5.191
  237   2HB   LYS  32          1HB       LYS  32   3.574  -7.114   6.016
  238   1HG   LYS  32          2HG       LYS  32   3.278  -8.257   8.165
  239   2HG   LYS  32          1HG       LYS  32   2.302  -9.505   7.390
  240   1HD   LYS  32          2HD       LYS  32   4.442  -9.810   5.856
  241   2HD   LYS  32          1HD       LYS  32   5.270  -9.027   7.202
  242   1HE   LYS  32          2HE       LYS  32   3.602 -11.557   7.335
  243   2HE   LYS  32          1HE       LYS  32   5.352 -11.444   7.511
  244   1HZ   LYS  32          1HZ       LYS  32   5.107 -10.973   9.645
  245   2HZ   LYS  32          2HZ       LYS  32   3.431 -11.211   9.496
  246   3HZ   LYS  32          3HZ       LYS  32   4.094  -9.659   9.294
  247    H    MET  33           H        MET  33   0.662  -6.610   4.014
  248    HA   MET  33           HA       MET  33   1.734  -3.933   3.765
  249   1HB   MET  33          2HB       MET  33  -0.489  -5.381   2.308
  250   2HB   MET  33          1HB       MET  33   0.052  -3.766   1.860
  251   1HG   MET  33          2HG       MET  33   2.411  -4.800   1.724
  252   2HG   MET  33          1HG       MET  33   1.579  -6.355   1.703
  253   1HE   MET  33          1HE       MET  33   1.559  -2.977  -1.355
  254   2HE   MET  33          2HE       MET  33   2.988  -3.568  -0.511
  255   3HE   MET  33          3HE       MET  33   1.668  -2.845   0.406
  256    H    ARG  34           H        ARG  34  -1.632  -5.009   3.863
  257    HA   ARG  34           HA       ARG  34  -2.859  -2.571   4.400
  258   1HB   ARG  34          2HB       ARG  34  -3.872  -4.978   4.067
  259   2HB   ARG  34          1HB       ARG  34  -3.795  -5.072   5.824
  260   1HG   ARG  34          2HG       ARG  34  -5.288  -3.239   6.096
  261   2HG   ARG  34          1HG       ARG  34  -5.107  -2.742   4.418
  262   1HD   ARG  34          2HD       ARG  34  -6.170  -4.930   3.737
  263   2HD   ARG  34          1HD       ARG  34  -6.525  -5.208   5.429
  264    HE   ARG  34           HE       ARG  34  -7.573  -2.877   3.883
  265   1HH1  ARG  34          1HH2      ARG  34  -7.884  -5.267   6.400
  266   2HH1  ARG  34          2HH2      ARG  34  -9.486  -4.780   6.819
  267   1HH2  ARG  34          1HH1      ARG  34  -9.672  -2.268   4.458
  268   2HH2  ARG  34          2HH1      ARG  34 -10.486  -3.102   5.738
  269    H    ALA  35           H        ALA  35  -0.929  -4.542   6.484
  270    HA   ALA  35           HA       ALA  35  -1.756  -3.263   8.966
  271   1HB   ALA  35          1HB       ALA  35   0.862  -4.694   8.444
  272   2HB   ALA  35          2HB       ALA  35  -0.641  -5.542   8.798
  273   3HB   ALA  35          3HB       ALA  35   0.061  -4.454   9.996
  274    H    ALA  36           H        ALA  36   1.323  -3.073   7.098
  275    HA   ALA  36           HA       ALA  36   2.244  -0.747   8.507
  276   1HB   ALA  36          1HB       ALA  36   3.808  -2.114   7.248
  277   2HB   ALA  36          2HB       ALA  36   3.804  -0.494   6.554
  278   3HB   ALA  36          3HB       ALA  36   2.936  -1.801   5.748
  279    H    ALA  37           H        ALA  37   0.202  -1.133   5.647
  280    HA   ALA  37           HA       ALA  37   0.301   1.528   4.679
  281   1HB   ALA  37          1HB       ALA  37  -1.945   1.086   3.743
  282   2HB   ALA  37          2HB       ALA  37  -2.091  -0.342   4.768
  283   3HB   ALA  37          3HB       ALA  37  -0.875  -0.293   3.490
  284    H    LEU  38           H        LEU  38  -1.614   0.089   7.296
  285    HA   LEU  38           HA       LEU  38  -3.154   2.448   7.863
  286   1HB   LEU  38          2HB       LEU  38  -2.444  -0.043   9.404
  287   2HB   LEU  38          1HB       LEU  38  -3.256   1.283  10.232
  288    HG   LEU  38           HG       LEU  38  -4.375   0.293   7.612
  289   1HD1  LEU  38          1HD1      LEU  38  -5.832  -1.264   8.999
  290   2HD1  LEU  38          2HD1      LEU  38  -4.681  -1.036  10.316
  291   3HD1  LEU  38          3HD1      LEU  38  -4.156  -1.779   8.805
  292   1HD2  LEU  38          1HD2      LEU  38  -5.596   1.429  10.153
  293   2HD2  LEU  38          2HD2      LEU  38  -6.501   0.983   8.707
  294   3HD2  LEU  38          3HD2      LEU  38  -5.342   2.309   8.646
  295    H    ASP  39           H        ASP  39   0.059   1.346   8.827
  296    HA   ASP  39           HA       ASP  39   0.345   3.541  10.780
  297   1HB   ASP  39          2HB       ASP  39   1.414   1.313  11.143
  298   2HB   ASP  39          1HB       ASP  39   2.421   1.598   9.724
  299    H    ALA  40           H        ALA  40   1.458   2.755   7.508
  300    HA   ALA  40           HA       ALA  40   3.354   4.858   7.247
  301   1HB   ALA  40          1HB       ALA  40   2.709   2.852   5.621
  302   2HB   ALA  40          2HB       ALA  40   3.417   4.330   4.975
  303   3HB   ALA  40          3HB       ALA  40   1.675   4.068   4.876
  304    H    GLN  41           H        GLN  41  -0.113   4.978   7.281
  305    HA   GLN  41           HA       GLN  41  -0.693   7.258   5.784
  306   1HB   GLN  41          2HB       GLN  41  -2.322   5.863   7.119
  307   2HB   GLN  41          1HB       GLN  41  -1.776   6.707   8.558
  308   1HG   GLN  41          2HG       GLN  41  -2.887   8.098   6.115
  309   2HG   GLN  41          1HG       GLN  41  -3.863   7.691   7.520
  310   1HE2  GLN  41          1HE2      GLN  41  -2.463   8.470   9.681
  311   2HE2  GLN  41          2HE2      GLN  41  -1.933  10.071   9.602
  312    H    LYS  42           H        LYS  42  -0.089   7.387   9.291
  313    HA   LYS  42           HA       LYS  42   0.318  10.164   9.492
  314   1HB   LYS  42          2HB       LYS  42   1.379   7.831  11.094
  315   2HB   LYS  42          1HB       LYS  42   1.842   9.482  11.496
  316   1HG   LYS  42          2HG       LYS  42  -0.005   9.175  12.883
  317   2HG   LYS  42          1HG       LYS  42  -0.742   9.953  11.494
  318   1HD   LYS  42          2HD       LYS  42  -1.263   7.645  10.602
  319   2HD   LYS  42          1HD       LYS  42  -0.709   7.001  12.131
  320   1HE   LYS  42          2HE       LYS  42  -3.122   7.241  12.234
  321   2HE   LYS  42          1HE       LYS  42  -2.390   8.439  13.301
  322   1HZ   LYS  42          1HZ       LYS  42  -2.518   9.971  11.284
  323   2HZ   LYS  42          2HZ       LYS  42  -3.966   9.625  12.101
  324   3HZ   LYS  42          3HZ       LYS  42  -3.605   8.840  10.638
  325    H    ALA  43           H        ALA  43   2.127   8.279   7.498
  326    HA   ALA  43           HA       ALA  43   4.779   9.296   8.178
  327   1HB   ALA  43          1HB       ALA  43   3.928   8.113   5.527
  328   2HB   ALA  43          2HB       ALA  43   4.310   7.120   6.935
  329   3HB   ALA  43          3HB       ALA  43   5.547   8.156   6.226
  330    H    THR  44           H        THR  44   5.724  11.123   7.424
  331    HA   THR  44           HA       THR  44   4.662  12.539   5.068
  332    HB   THR  44           HB       THR  44   4.721  14.709   6.640
  333    HG1  THR  44           1HG      THR  44   5.306  13.410   8.467
  334   1HG2  THR  44          1HG2      THR  44   2.371  12.793   6.666
  335   2HG2  THR  44          2HG2      THR  44   2.764  13.886   5.337
  336   3HG2  THR  44          3HG2      THR  44   2.305  14.538   6.910
  337    HA   PRO  45           HA       PRO  45   9.284  12.284   5.776
  338   1HB   PRO  45          2HB       PRO  45   9.093  12.444   2.795
  339   2HB   PRO  45          1HB       PRO  45  10.108  11.406   3.812
  340   1HG   PRO  45          2HG       PRO  45   7.902  10.478   2.576
  341   2HG   PRO  45          1HG       PRO  45   8.453   9.859   4.137
  342   1HD   PRO  45          2HD       PRO  45   6.112  11.588   3.539
  343   2HD   PRO  45          1HD       PRO  45   6.375  10.492   4.906
  344    HA   PRO  46           HA       PRO  46   9.570  16.573   3.875
  345   1HB   PRO  46          2HB       PRO  46   7.662  17.561   2.227
  346   2HB   PRO  46          1HB       PRO  46   8.844  16.361   1.675
  347   1HG   PRO  46          2HG       PRO  46   5.965  16.038   2.182
  348   2HG   PRO  46          1HG       PRO  46   7.059  15.023   1.228
  349   1HD   PRO  46          2HD       PRO  46   6.169  14.640   3.990
  350   2HD   PRO  46          1HD       PRO  46   7.094  13.533   2.968
  351    H    LYS  47           H        LYS  47   6.260  17.509   3.464
  352    HA   LYS  47           HA       LYS  47   5.558  18.026   6.189
  353   1HB   LYS  47          2HB       LYS  47   5.801  20.685   5.737
  354   2HB   LYS  47          1HB       LYS  47   7.057  19.753   6.525
  355   1HG   LYS  47          2HG       LYS  47   8.420  19.694   4.621
  356   2HG   LYS  47          1HG       LYS  47   7.065  19.974   3.527
  357   1HD   LYS  47          2HD       LYS  47   6.916  22.276   4.178
  358   2HD   LYS  47          1HD       LYS  47   8.026  22.039   5.521
  359   1HE   LYS  47          2HE       LYS  47   9.842  21.530   3.934
  360   2HE   LYS  47          1HE       LYS  47   8.730  21.762   2.585
  361   1HZ   LYS  47          1HZ       LYS  47   9.332  23.888   2.659
  362   2HZ   LYS  47          2HZ       LYS  47  10.105  23.712   4.161
  363   3HZ   LYS  47          3HZ       LYS  47   8.435  24.015   4.093
  364    H    LEU  48           H        LEU  48   3.377  17.943   5.989
  365    HA   LEU  48           HA       LEU  48   2.085  18.862   3.503
  366   1HB   LEU  48          2HB       LEU  48   1.473  16.920   5.463
  367   2HB   LEU  48          1HB       LEU  48   0.262  18.171   5.719
  368    HG   LEU  48           HG       LEU  48   0.869  16.938   3.011
  369   1HD1  LEU  48          1HD1      LEU  48  -0.043  15.282   4.635
  370   2HD1  LEU  48          2HD1      LEU  48  -1.168  15.629   3.322
  371   3HD1  LEU  48          3HD1      LEU  48  -1.419  16.350   4.912
  372   1HD2  LEU  48          1HD2      LEU  48  -1.333  18.743   4.062
  373   2HD2  LEU  48          2HD2      LEU  48  -1.389  17.943   2.491
  374   3HD2  LEU  48          3HD2      LEU  48  -0.138  19.139   2.827
  375    H    GLU  49           H        GLU  49  -0.209  20.128   4.334
  376    HA   GLU  49           HA       GLU  49  -0.897  22.311   4.898
  377   1HB   GLU  49          2HB       GLU  49   0.831  21.817   7.342
  378   2HB   GLU  49          1HB       GLU  49  -0.545  22.913   7.220
  379   1HG   GLU  49          2HG       GLU  49  -1.975  20.894   6.671
  380   2HG   GLU  49          1HG       GLU  49  -0.588  19.888   7.096
  381    H    ASP  50           H        ASP  50   1.738  21.847   3.511
  382    HA   ASP  50           HA       ASP  50   2.803  24.602   3.877
  383   1HB   ASP  50          2HB       ASP  50   4.428  22.036   3.982
  384   2HB   ASP  50          1HB       ASP  50   5.138  23.605   3.582
  385    H    LYS  51           H        LYS  51   3.728  21.733   1.952
  386    HA   LYS  51           HA       LYS  51   4.001  23.326  -0.435
  387   1HB   LYS  51          2HB       LYS  51   4.140  21.095  -1.572
  388   2HB   LYS  51          1HB       LYS  51   5.255  21.272  -0.229
  389   1HG   LYS  51          2HG       LYS  51   3.950  19.934   1.209
  390   2HG   LYS  51          1HG       LYS  51   2.529  20.049   0.176
  391   1HD   LYS  51          2HD       LYS  51   3.424  18.569  -1.433
  392   2HD   LYS  51          1HD       LYS  51   5.072  18.774  -0.836
  393   1HE   LYS  51          2HE       LYS  51   4.194  16.596  -0.134
  394   2HE   LYS  51          1HE       LYS  51   4.431  17.633   1.272
  395   1HZ   LYS  51          1HZ       LYS  51   1.909  18.219   0.491
  396   2HZ   LYS  51          2HZ       LYS  51   2.324  17.145   1.741
  397   3HZ   LYS  51          3HZ       LYS  51   2.001  16.554   0.181
  398    H    SER  52           H        SER  52   2.165  20.771  -1.535
  399    HA   SER  52           HA       SER  52  -0.095  22.532  -2.055
  400   1HB   SER  52          2HB       SER  52   0.868  20.860  -3.688
  401   2HB   SER  52          1HB       SER  52   0.140  19.595  -2.702
  402    HG   SER  52           HG       SER  52  -1.341  20.134  -4.257
  403    HA   PRO  53           HA       PRO  53  -2.091  20.667   1.623
  404   1HB   PRO  53          2HB       PRO  53  -3.739  22.637   2.273
  405   2HB   PRO  53          1HB       PRO  53  -1.984  22.920   2.363
  406   1HG   PRO  53          2HG       PRO  53  -3.899  23.675   0.183
  407   2HG   PRO  53          1HG       PRO  53  -2.664  24.674   0.979
  408   1HD   PRO  53          2HD       PRO  53  -2.258  23.359  -1.434
  409   2HD   PRO  53          1HD       PRO  53  -0.954  23.810  -0.318
  410    H    ASP  54           H        ASP  54  -3.531  21.667  -1.359
  411    HA   ASP  54           HA       ASP  54  -5.450  20.956  -2.478
  412   1HB   ASP  54          2HB       ASP  54  -5.942  18.901  -0.325
  413   2HB   ASP  54          1HB       ASP  54  -6.269  18.795  -2.054
  414    H    SER  55           H        SER  55  -7.603  19.703  -0.455
  415    HA   SER  55           HA       SER  55  -8.326  21.934   1.196
  416   1HB   SER  55          2HB       SER  55  -8.810  22.786  -1.170
  417   2HB   SER  55          1HB       SER  55 -10.120  21.612  -1.213
  418    HG   SER  55           HG       SER  55  -9.952  24.003   0.073
  419    HA   PRO  56           HA       PRO  56 -11.891  18.457   0.825
  420   1HB   PRO  56          2HB       PRO  56  -9.835  16.305   0.451
  421   2HB   PRO  56          1HB       PRO  56 -11.536  16.330  -0.069
  422   1HG   PRO  56          2HG       PRO  56  -9.696  16.817  -1.849
  423   2HG   PRO  56          1HG       PRO  56 -11.092  17.910  -1.766
  424   1HD   PRO  56          2HD       PRO  56  -8.319  18.316  -0.674
  425   2HD   PRO  56          1HD       PRO  56  -9.333  19.463  -1.585
  426    H    GLU  57           H        GLU  57 -10.930  19.632   3.043
  427    HA   GLU  57           HA       GLU  57 -10.301  19.328   5.306
  428   1HB   GLU  57          2HB       GLU  57 -11.946  16.818   4.833
  429   2HB   GLU  57          1HB       GLU  57 -11.603  17.543   6.403
  430   1HG   GLU  57          2HG       GLU  57 -12.755  19.622   5.664
  431   2HG   GLU  57          1HG       GLU  57 -13.157  18.830   4.140
  432    H    MET  58           H        MET  58  -8.496  18.206   3.257
  433    HA   MET  58           HA       MET  58  -6.551  16.945   3.176
  434   1HB   MET  58          2HB       MET  58  -7.012  16.188   6.064
  435   2HB   MET  58          1HB       MET  58  -5.505  16.318   5.179
  436   1HG   MET  58          2HG       MET  58  -5.362  18.347   6.218
  437   2HG   MET  58          1HG       MET  58  -6.410  18.881   4.900
  438   1HE   MET  58          1HE       MET  58  -6.516  20.768   7.007
  439   2HE   MET  58          2HE       MET  58  -5.823  19.662   8.190
  440   3HE   MET  58          3HE       MET  58  -7.366  20.444   8.524
  441    H    LYS  59           H        LYS  59  -9.581  15.791   3.895
  442    HA   LYS  59           HA       LYS  59  -9.427  13.063   4.365
  443   1HB   LYS  59          2HB       LYS  59 -11.458  14.640   3.921
  444   2HB   LYS  59          1HB       LYS  59 -11.217  14.244   2.215
  445   1HG   LYS  59          2HG       LYS  59 -11.374  11.959   4.183
  446   2HG   LYS  59          1HG       LYS  59 -12.864  12.808   3.802
  447   1HD   LYS  59          2HD       LYS  59 -12.894  12.091   1.601
  448   2HD   LYS  59          1HD       LYS  59 -11.140  12.006   1.485
  449   1HE   LYS  59          2HE       LYS  59 -12.912  10.063   2.998
  450   2HE   LYS  59          1HE       LYS  59 -12.112   9.747   1.460
  451   1HZ   LYS  59          1HZ       LYS  59  -9.990  10.360   2.717
  452   2HZ   LYS  59          2HZ       LYS  59 -10.686   8.841   3.025
  453   3HZ   LYS  59          3HZ       LYS  59 -10.902  10.117   4.126
  454    H    ASP  60           H        ASP  60  -9.057  14.792   1.307
  455    HA   ASP  60           HA       ASP  60  -8.808  12.572  -0.404
  456   1HB   ASP  60          2HB       ASP  60  -9.044  14.643  -1.442
  457   2HB   ASP  60          1HB       ASP  60  -7.810  15.413  -0.450
  458    H    PHE  61           H        PHE  61  -6.530  13.909   1.911
  459    HA   PHE  61           HA       PHE  61  -4.229  12.476   0.834
  460   1HB   PHE  61          2HB       PHE  61  -4.399  14.553   2.521
  461   2HB   PHE  61          1HB       PHE  61  -4.429  13.278   3.735
  462    HD1  PHE  61           1HD      PHE  61  -2.351  12.680   4.620
  463    HD2  PHE  61           2HD      PHE  61  -2.558  14.080   0.566
  464    HE1  PHE  61           1HE      PHE  61   0.121  12.474   4.422
  465    HE2  PHE  61           2HE      PHE  61  -0.097  13.866   0.364
  466    HZ   PHE  61           HZ       PHE  61   1.240  13.066   2.291
  467    H    ARG  62           H        ARG  62  -6.377  12.078   3.626
  468    HA   ARG  62           HA       ARG  62  -5.478   9.496   4.432
  469   1HB   ARG  62          2HB       ARG  62  -8.196  10.808   4.744
  470   2HB   ARG  62          1HB       ARG  62  -7.649   9.406   5.650
  471   1HG   ARG  62          2HG       ARG  62  -6.627  10.755   7.174
  472   2HG   ARG  62          1HG       ARG  62  -5.613  11.439   5.907
  473   1HD   ARG  62          2HD       ARG  62  -7.346  13.083   5.376
  474   2HD   ARG  62          1HD       ARG  62  -8.416  12.363   6.569
  475    HE   ARG  62           HE       ARG  62  -7.224  13.518   8.243
  476   1HH1  ARG  62          1HH2      ARG  62  -5.437  13.270   5.308
  477   2HH1  ARG  62          2HH2      ARG  62  -4.169  14.327   5.835
  478   1HH2  ARG  62          1HH1      ARG  62  -5.585  14.905   8.948
  479   2HH2  ARG  62          2HH1      ARG  62  -4.254  15.255   7.896
  480    H    HIS  63           H        HIS  63  -7.830  10.550   2.014
  481    HA   HIS  63           HA       HIS  63  -9.046   7.988   1.546
  482   1HB   HIS  63          2HB       HIS  63  -9.585  10.477   0.644
  483   2HB   HIS  63          1HB       HIS  63  -8.684   9.895  -0.749
  484    HD1  HIS  63           1HD      HIS  63 -10.616   7.335   1.121
  485    HD2  HIS  63           2HD      HIS  63 -11.238   9.819  -2.166
  486    HE1  HIS  63           1HE      HIS  63 -12.663   6.462  -0.044
  487    H    GLY  64           H        GLY  64  -6.076   9.487   0.301
  488   1HA   GLY  64          2HA       GLY  64  -5.626   7.441  -1.676
  489   2HA   GLY  64          1HA       GLY  64  -4.375   8.487  -0.999
  490    H    PHE  65           H        PHE  65  -4.997   7.704   1.780
  491    HA   PHE  65           HA       PHE  65  -3.434   5.215   1.837
  492   1HB   PHE  65          2HB       PHE  65  -4.566   6.988   4.014
  493   2HB   PHE  65          1HB       PHE  65  -3.712   5.482   4.351
  494    HD1  PHE  65           1HD      PHE  65  -3.359   8.963   3.628
  495    HD2  PHE  65           2HD      PHE  65  -1.347   5.190   3.326
  496    HE1  PHE  65           1HE      PHE  65  -1.197  10.143   3.377
  497    HE2  PHE  65           2HE      PHE  65   0.822   6.368   3.062
  498    HZ   PHE  65           HZ       PHE  65   0.890   8.853   3.071
  499    H    ASP  66           H        ASP  66  -6.723   6.325   2.527
  500    HA   ASP  66           HA       ASP  66  -7.653   3.750   3.484
  501   1HB   ASP  66          2HB       ASP  66  -8.727   6.123   3.808
  502   2HB   ASP  66          1HB       ASP  66  -9.463   5.819   2.235
  503    H    ILE  67           H        ILE  67  -7.888   5.522   0.397
  504    HA   ILE  67           HA       ILE  67  -9.294   3.560  -1.078
  505    HB   ILE  67           HB       ILE  67  -7.152   5.527  -1.962
  506   1HG1  ILE  67          2HG1      ILE  67  -9.520   6.249  -1.026
  507   2HG1  ILE  67          1HG1      ILE  67  -8.893   7.005  -2.486
  508   1HG2  ILE  67          1HG2      ILE  67  -8.251   5.100  -4.270
  509   2HG2  ILE  67          2HG2      ILE  67  -8.840   3.599  -3.554
  510   3HG2  ILE  67          3HG2      ILE  67  -7.106   3.903  -3.664
  511   1HD1  ILE  67          1HD1      ILE  67 -10.290   5.694  -3.900
  512   2HD1  ILE  67          2HD1      ILE  67 -11.331   6.205  -2.575
  513   3HD1  ILE  67          3HD1      ILE  67 -10.684   4.569  -2.605
  514    H    LEU  68           H        LEU  68  -5.792   4.031  -0.640
  515    HA   LEU  68           HA       LEU  68  -4.923   1.783  -2.129
  516   1HB   LEU  68          2HB       LEU  68  -3.305   3.412  -1.408
  517   2HB   LEU  68          1HB       LEU  68  -3.757   3.207   0.281
  518    HG   LEU  68           HG       LEU  68  -2.806   0.993   0.339
  519   1HD1  LEU  68          1HD1      LEU  68  -1.538   0.244  -1.831
  520   2HD1  LEU  68          2HD1      LEU  68  -2.632   1.356  -2.652
  521   3HD1  LEU  68          3HD1      LEU  68  -3.278  -0.008  -1.743
  522   1HD2  LEU  68          1HD2      LEU  68  -0.429   1.523  -0.271
  523   2HD2  LEU  68          2HD2      LEU  68  -1.214   2.797   0.664
  524   3HD2  LEU  68          3HD2      LEU  68  -1.010   2.980  -1.079
  525    H    VAL  69           H        VAL  69  -5.825   2.096   1.308
  526    HA   VAL  69           HA       VAL  69  -5.386  -0.658   1.989
  527    HB   VAL  69           HB       VAL  69  -7.099   1.544   3.146
  528   1HG1  VAL  69          1HG1      VAL  69  -6.821  -1.303   4.026
  529   2HG1  VAL  69          2HG1      VAL  69  -8.290  -0.369   3.796
  530   3HG1  VAL  69          3HG1      VAL  69  -7.234  -0.030   5.167
  531   1HG2  VAL  69          1HG2      VAL  69  -4.723   0.162   4.392
  532   2HG2  VAL  69          2HG2      VAL  69  -5.404   1.738   4.793
  533   3HG2  VAL  69          3HG2      VAL  69  -4.516   1.519   3.285
  534    H    GLY  70           H        GLY  70  -7.831   1.019   0.219
  535   1HA   GLY  70          2HA       GLY  70  -9.947  -0.923   0.662
  536   2HA   GLY  70          1HA       GLY  70  -9.954   0.356  -0.539
  537    H    GLN  71           H        GLN  71  -7.746  -0.238  -2.100
  538    HA   GLN  71           HA       GLN  71  -8.758  -2.529  -3.560
  539   1HB   GLN  71          2HB       GLN  71  -7.440  -1.789  -5.296
  540   2HB   GLN  71          1HB       GLN  71  -7.438  -0.316  -4.340
  541   1HG   GLN  71          2HG       GLN  71  -5.168  -0.553  -4.730
  542   2HG   GLN  71          1HG       GLN  71  -5.292  -1.426  -3.215
  543   1HE2  GLN  71          1HE2      GLN  71  -6.700  -3.742  -4.513
  544   2HE2  GLN  71          2HE2      GLN  71  -5.504  -4.561  -5.388
  545    H    ILE  72           H        ILE  72  -6.274  -1.963  -1.204
  546    HA   ILE  72           HA       ILE  72  -5.060  -4.602  -1.539
  547    HB   ILE  72           HB       ILE  72  -4.805  -2.353   0.456
  548   1HG1  ILE  72          2HG1      ILE  72  -2.697  -4.013  -0.939
  549   2HG1  ILE  72          1HG1      ILE  72  -3.430  -2.594  -1.685
  550   1HG2  ILE  72          1HG2      ILE  72  -4.057  -5.240   0.919
  551   2HG2  ILE  72          2HG2      ILE  72  -4.857  -4.120   2.017
  552   3HG2  ILE  72          3HG2      ILE  72  -3.139  -3.939   1.679
  553   1HD1  ILE  72          1HD1      ILE  72  -2.733  -1.305   0.401
  554   2HD1  ILE  72          2HD1      ILE  72  -1.413  -1.835  -0.639
  555   3HD1  ILE  72          3HD1      ILE  72  -1.776  -2.715   0.846
  556    H    ASP  73           H        ASP  73  -7.655  -3.114   0.353
  557    HA   ASP  73           HA       ASP  73  -8.051  -5.288   2.193
  558   1HB   ASP  73          2HB       ASP  73  -9.150  -3.222   2.691
  559   2HB   ASP  73          1HB       ASP  73  -9.951  -3.192   1.120
  560    H    ASP  74           H        ASP  74  -9.890  -4.515  -0.789
  561    HA   ASP  74           HA       ASP  74 -11.316  -6.986  -0.851
  562   1HB   ASP  74          2HB       ASP  74 -10.591  -4.933  -2.948
  563   2HB   ASP  74          1HB       ASP  74 -11.416  -6.422  -3.408
  564    H    ALA  75           H        ALA  75  -8.055  -6.136  -1.813
  565    HA   ALA  75           HA       ALA  75  -7.669  -8.534  -3.398
  566   1HB   ALA  75          1HB       ALA  75  -5.550  -6.837  -2.035
  567   2HB   ALA  75          2HB       ALA  75  -6.232  -6.463  -3.618
  568   3HB   ALA  75          3HB       ALA  75  -5.304  -7.945  -3.382
  569    H    LEU  76           H        LEU  76  -7.380  -7.625  -0.018
  570    HA   LEU  76           HA       LEU  76  -5.886  -9.827   0.926
  571   1HB   LEU  76          2HB       LEU  76  -7.256  -7.636   2.032
  572   2HB   LEU  76          1HB       LEU  76  -8.170  -9.001   2.634
  573    HG   LEU  76           HG       LEU  76  -5.643  -9.897   3.146
  574   1HD1  LEU  76          1HD1      LEU  76  -4.989  -7.405   2.304
  575   2HD1  LEU  76          2HD1      LEU  76  -4.070  -8.269   3.530
  576   3HD1  LEU  76          3HD1      LEU  76  -5.262  -7.065   4.010
  577   1HD2  LEU  76          1HD2      LEU  76  -6.002  -9.215   5.469
  578   2HD2  LEU  76          2HD2      LEU  76  -7.532  -9.729   4.759
  579   3HD2  LEU  76          3HD2      LEU  76  -7.183  -8.011   4.955
  580    H    LYS  77           H        LYS  77  -9.207  -9.391  -0.053
  581    HA   LYS  77           HA       LYS  77 -10.265 -11.888   0.838
  582   1HB   LYS  77          2HB       LYS  77 -11.503  -9.752   0.081
  583   2HB   LYS  77          1HB       LYS  77 -11.189 -10.303  -1.569
  584   1HG   LYS  77          2HG       LYS  77 -13.280 -11.260  -1.137
  585   2HG   LYS  77          1HG       LYS  77 -12.169 -12.566  -0.728
  586   1HD   LYS  77          2HD       LYS  77 -12.320 -11.253   1.694
  587   2HD   LYS  77          1HD       LYS  77 -13.932 -10.948   1.055
  588   1HE   LYS  77          2HE       LYS  77 -14.021 -13.482   0.566
  589   2HE   LYS  77          1HE       LYS  77 -12.607 -13.608   1.618
  590   1HZ   LYS  77          1HZ       LYS  77 -15.358 -12.811   2.283
  591   2HZ   LYS  77          2HZ       LYS  77 -14.074 -12.190   3.206
  592   3HZ   LYS  77          3HZ       LYS  77 -14.317 -13.870   3.101
  593    H    LEU  78           H        LEU  78  -9.029 -10.754  -2.311
  594    HA   LEU  78           HA       LEU  78  -9.410 -13.180  -3.720
  595   1HB   LEU  78          2HB       LEU  78  -7.677 -10.763  -4.015
  596   2HB   LEU  78          1HB       LEU  78  -7.194 -12.179  -4.951
  597    HG   LEU  78           HG       LEU  78  -9.380 -12.292  -6.009
  598   1HD1  LEU  78          1HD1      LEU  78 -10.077 -10.211  -3.941
  599   2HD1  LEU  78          2HD1      LEU  78 -10.979 -11.644  -4.427
  600   3HD1  LEU  78          3HD1      LEU  78 -10.950 -10.229  -5.472
  601   1HD2  LEU  78          1HD2      LEU  78  -9.128 -10.440  -7.428
  602   2HD2  LEU  78          2HD2      LEU  78  -7.537 -10.505  -6.670
  603   3HD2  LEU  78          3HD2      LEU  78  -8.732  -9.344  -6.103
  604    H    ALA  79           H        ALA  79  -6.880 -12.098  -1.545
  605    HA   ALA  79           HA       ALA  79  -5.052 -14.267  -1.987
  606   1HB   ALA  79          1HB       ALA  79  -5.509 -12.825   0.642
  607   2HB   ALA  79          2HB       ALA  79  -4.621 -12.095  -0.692
  608   3HB   ALA  79          3HB       ALA  79  -4.018 -13.566   0.070
  609    H    ASN  80           H        ASN  80  -7.606 -13.744   0.455
  610    HA   ASN  80           HA       ASN  80  -7.334 -16.399   1.556
  611   1HB   ASN  80          2HB       ASN  80  -8.369 -14.145   2.559
  612   2HB   ASN  80          1HB       ASN  80  -9.869 -14.845   1.949
  613   1HD2  ASN  80          1HD2      ASN  80  -6.931 -16.037   3.660
  614   2HD2  ASN  80          2HD2      ASN  80  -7.773 -17.012   4.733
  615    H    GLU  81           H        GLU  81  -8.872 -15.289  -1.295
  616    HA   GLU  81           HA       GLU  81 -10.892 -17.475  -1.248
  617   1HB   GLU  81          2HB       GLU  81 -10.369 -15.167  -3.114
  618   2HB   GLU  81          1HB       GLU  81 -11.483 -16.463  -3.536
  619   1HG   GLU  81          2HG       GLU  81 -12.809 -16.031  -1.547
  620   2HG   GLU  81          1HG       GLU  81 -11.658 -14.812  -1.005
  621    H    GLY  82           H        GLY  82  -7.699 -16.949  -2.333
  622   1HA   GLY  82          2HA       GLY  82  -6.377 -18.776  -3.205
  623   2HA   GLY  82          1HA       GLY  82  -7.829 -19.492  -3.887
  624    H    LYS  83           H        LYS  83  -7.636 -16.111  -4.440
  625    HA   LYS  83           HA       LYS  83  -6.961 -16.652  -7.292
  626   1HB   LYS  83          2HB       LYS  83  -7.759 -13.953  -6.232
  627   2HB   LYS  83          1HB       LYS  83  -7.986 -14.617  -7.838
  628   1HG   LYS  83          2HG       LYS  83  -9.468 -15.372  -5.325
  629   2HG   LYS  83          1HG       LYS  83 -10.123 -14.607  -6.765
  630   1HD   LYS  83          2HD       LYS  83  -9.372 -16.681  -8.055
  631   2HD   LYS  83          1HD       LYS  83  -9.115 -17.443  -6.487
  632   1HE   LYS  83          2HE       LYS  83 -11.326 -18.053  -7.129
  633   2HE   LYS  83          1HE       LYS  83 -11.522 -16.777  -5.928
  634   1HZ   LYS  83          1HZ       LYS  83 -12.809 -15.861  -7.497
  635   2HZ   LYS  83          2HZ       LYS  83 -12.115 -16.760  -8.760
  636   3HZ   LYS  83          3HZ       LYS  83 -11.344 -15.359  -8.186
  637    H    VAL  84           H        VAL  84  -4.756 -17.056  -6.708
  638    HA   VAL  84           HA       VAL  84  -3.051 -14.994  -5.593
  639    HB   VAL  84           HB       VAL  84  -2.246 -17.476  -7.144
  640   1HG1  VAL  84          1HG1      VAL  84  -0.368 -16.028  -6.907
  641   2HG1  VAL  84          2HG1      VAL  84  -0.211 -17.219  -5.617
  642   3HG1  VAL  84          3HG1      VAL  84  -0.812 -15.603  -5.255
  643   1HG2  VAL  84          1HG2      VAL  84  -3.562 -18.316  -5.383
  644   2HG2  VAL  84          2HG2      VAL  84  -3.053 -17.047  -4.273
  645   3HG2  VAL  84          3HG2      VAL  84  -1.934 -18.339  -4.707
  646    H    LYS  85           H        LYS  85  -3.419 -16.361  -8.892
  647    HA   LYS  85           HA       LYS  85  -1.591 -14.636 -10.171
  648   1HB   LYS  85          2HB       LYS  85  -4.235 -15.736 -11.190
  649   2HB   LYS  85          1HB       LYS  85  -3.059 -14.912 -12.207
  650   1HG   LYS  85          2HG       LYS  85  -2.228 -17.025 -12.565
  651   2HG   LYS  85          1HG       LYS  85  -1.440 -16.789 -11.008
  652   1HD   LYS  85          2HD       LYS  85  -3.443 -17.831  -9.905
  653   2HD   LYS  85          1HD       LYS  85  -4.091 -18.177 -11.509
  654   1HE   LYS  85          2HE       LYS  85  -2.057 -19.489 -12.037
  655   2HE   LYS  85          1HE       LYS  85  -1.442 -19.170 -10.415
  656   1HZ   LYS  85          1HZ       LYS  85  -3.848 -20.721 -11.169
  657   2HZ   LYS  85          2HZ       LYS  85  -3.554 -20.197  -9.580
  658   3HZ   LYS  85          3HZ       LYS  85  -2.475 -21.267 -10.338
  659    H    GLU  86           H        GLU  86  -4.956 -14.099  -9.201
  660    HA   GLU  86           HA       GLU  86  -5.169 -11.475 -10.383
  661   1HB   GLU  86          2HB       GLU  86  -6.696 -12.728  -8.066
  662   2HB   GLU  86          1HB       GLU  86  -7.093 -11.188  -8.823
  663   1HG   GLU  86          2HG       GLU  86  -8.451 -13.119  -9.701
  664   2HG   GLU  86          1HG       GLU  86  -7.571 -12.227 -10.937
  665    H    ALA  87           H        ALA  87  -4.325 -12.724  -7.155
  666    HA   ALA  87           HA       ALA  87  -4.003 -10.119  -5.978
  667   1HB   ALA  87          1HB       ALA  87  -4.208 -12.434  -4.819
  668   2HB   ALA  87          2HB       ALA  87  -3.131 -11.239  -4.096
  669   3HB   ALA  87          3HB       ALA  87  -2.467 -12.551  -5.072
  670    H    GLN  88           H        GLN  88  -1.605 -12.432  -7.218
  671    HA   GLN  88           HA       GLN  88   0.668 -10.774  -6.878
  672   1HB   GLN  88          2HB       GLN  88   1.580 -12.765  -7.464
  673   2HB   GLN  88          1HB       GLN  88   0.015 -13.362  -7.926
  674   1HG   GLN  88          2HG       GLN  88   0.304 -12.655 -10.195
  675   2HG   GLN  88          1HG       GLN  88   1.738 -11.733  -9.778
  676   1HE2  GLN  88          1HE2      GLN  88   0.731 -15.109  -9.004
  677   2HE2  GLN  88          2HE2      GLN  88   2.159 -15.811  -9.560
  678    H    ALA  89           H        ALA  89  -1.391 -11.261  -9.769
  679    HA   ALA  89           HA       ALA  89  -0.035  -9.462 -11.477
  680   1HB   ALA  89          1HB       ALA  89  -2.250  -9.177 -12.618
  681   2HB   ALA  89          2HB       ALA  89  -3.010 -10.043 -11.282
  682   3HB   ALA  89          3HB       ALA  89  -1.846 -10.867 -12.320
  683    H    ALA  90           H        ALA  90  -2.429  -8.856  -8.931
  684    HA   ALA  90           HA       ALA  90  -2.720  -6.029  -9.452
  685   1HB   ALA  90          1HB       ALA  90  -3.697  -5.914  -7.234
  686   2HB   ALA  90          2HB       ALA  90  -2.953  -7.446  -6.774
  687   3HB   ALA  90          3HB       ALA  90  -4.243  -7.418  -7.975
  688    H    ALA  91           H        ALA  91  -0.393  -8.010  -7.696
  689    HA   ALA  91           HA       ALA  91   0.951  -6.081  -6.157
  690   1HB   ALA  91          1HB       ALA  91   2.832  -7.512  -6.186
  691   2HB   ALA  91          2HB       ALA  91   2.475  -8.100  -7.809
  692   3HB   ALA  91          3HB       ALA  91   1.476  -8.607  -6.447
  693    H    GLU  92           H        GLU  92   1.283  -6.803  -9.629
  694    HA   GLU  92           HA       GLU  92   3.285  -4.793 -10.117
  695   1HB   GLU  92          2HB       GLU  92   1.391  -6.401 -11.805
  696   2HB   GLU  92          1HB       GLU  92   2.145  -4.984 -12.535
  697   1HG   GLU  92          2HG       GLU  92   4.300  -5.868 -12.382
  698   2HG   GLU  92          1HG       GLU  92   3.887  -6.920 -11.028
  699    H    GLN  93           H        GLN  93  -0.194  -4.751  -9.737
  700    HA   GLN  93           HA       GLN  93  -0.541  -2.079 -10.839
  701   1HB   GLN  93          2HB       GLN  93  -2.379  -3.862 -10.502
  702   2HB   GLN  93          1HB       GLN  93  -2.327  -3.449  -8.796
  703   1HG   GLN  93          2HG       GLN  93  -2.594  -1.098 -10.605
  704   2HG   GLN  93          1HG       GLN  93  -3.953  -2.214 -10.639
  705   1HE2  GLN  93          1HE2      GLN  93  -1.901  -1.440  -7.774
  706   2HE2  GLN  93          2HE2      GLN  93  -3.173  -0.781  -6.855
  707    H    LEU  94           H        LEU  94  -0.052  -3.549  -7.654
  708    HA   LEU  94           HA       LEU  94  -0.171  -1.074  -6.194
  709   1HB   LEU  94          2HB       LEU  94   0.990  -3.794  -5.577
  710   2HB   LEU  94          1HB       LEU  94   1.182  -2.443  -4.463
  711    HG   LEU  94           HG       LEU  94  -1.391  -2.177  -4.619
  712   1HD1  LEU  94          1HD1      LEU  94  -1.868  -3.580  -6.516
  713   2HD1  LEU  94          2HD1      LEU  94  -2.524  -4.392  -5.094
  714   3HD1  LEU  94          3HD1      LEU  94  -1.013  -4.939  -5.794
  715   1HD2  LEU  94          1HD2      LEU  94  -0.048  -4.546  -3.306
  716   2HD2  LEU  94          2HD2      LEU  94  -1.720  -4.105  -2.999
  717   3HD2  LEU  94          3HD2      LEU  94  -0.427  -2.983  -2.584
  718    H    LYS  95           H        LYS  95   2.454  -2.866  -7.801
  719    HA   LYS  95           HA       LYS  95   4.652  -1.326  -6.845
  720   1HB   LYS  95          2HB       LYS  95   4.109  -2.576  -9.565
  721   2HB   LYS  95          1HB       LYS  95   5.635  -1.783  -9.167
  722   1HG   LYS  95          2HG       LYS  95   5.425  -3.464  -7.021
  723   2HG   LYS  95          1HG       LYS  95   4.549  -4.405  -8.215
  724   1HD   LYS  95          2HD       LYS  95   6.846  -5.077  -8.350
  725   2HD   LYS  95          1HD       LYS  95   6.518  -4.095  -9.776
  726   1HE   LYS  95          2HE       LYS  95   8.087  -2.552  -9.152
  727   2HE   LYS  95          1HE       LYS  95   7.431  -2.437  -7.517
  728   1HZ   LYS  95          1HZ       LYS  95   8.930  -4.846  -8.258
  729   2HZ   LYS  95          2HZ       LYS  95   8.797  -4.070  -6.753
  730   3HZ   LYS  95          3HZ       LYS  95   9.798  -3.420  -7.963
  731    H    THR  96           H        THR  96   2.257  -0.746  -9.359
  732    HA   THR  96           HA       THR  96   3.341   1.807 -10.203
  733    HB   THR  96           HB       THR  96   0.421   1.094 -10.491
  734    HG1  THR  96           1HG      THR  96   1.090  -0.781 -11.175
  735   1HG2  THR  96          1HG2      THR  96   0.647   2.187 -12.607
  736   2HG2  THR  96          2HG2      THR  96   2.408   2.133 -12.523
  737   3HG2  THR  96          3HG2      THR  96   1.505   3.197 -11.444
  738    H    THR  97           H        THR  97   1.227   0.761  -7.577
  739    HA   THR  97           HA       THR  97  -0.007   3.287  -7.064
  740    HB   THR  97           HB       THR  97   0.588   0.909  -5.325
  741    HG1  THR  97           1HG      THR  97  -1.583   0.797  -5.298
  742   1HG2  THR  97          1HG2      THR  97  -0.198   3.653  -4.376
  743   2HG2  THR  97          2HG2      THR  97   1.074   2.600  -3.749
  744   3HG2  THR  97          3HG2      THR  97  -0.622   2.199  -3.473
  745    H    ILE  98           H        ILE  98   3.037   1.837  -5.907
  746    HA   ILE  98           HA       ILE  98   3.958   3.880  -4.232
  747    HB   ILE  98           HB       ILE  98   5.573   2.296  -6.231
  748   1HG1  ILE  98          2HG1      ILE  98   5.062   1.691  -3.306
  749   2HG1  ILE  98          1HG1      ILE  98   4.119   0.977  -4.616
  750   1HG2  ILE  98          1HG2      ILE  98   6.968   4.038  -5.417
  751   2HG2  ILE  98          2HG2      ILE  98   7.356   2.657  -4.392
  752   3HG2  ILE  98          3HG2      ILE  98   6.293   3.929  -3.792
  753   1HD1  ILE  98          1HD1      ILE  98   6.144   0.001  -5.583
  754   2HD1  ILE  98          2HD1      ILE  98   5.986  -0.499  -3.899
  755   3HD1  ILE  98          3HD1      ILE  98   7.131   0.768  -4.339
  756    H    ARG  99           H        ARG  99   4.161   3.562  -7.766
  757    HA   ARG  99           HA       ARG  99   5.613   5.971  -8.217
  758   1HB   ARG  99          2HB       ARG  99   5.286   4.192  -9.919
  759   2HB   ARG  99          1HB       ARG  99   3.592   4.658 -10.051
  760   1HG   ARG  99          2HG       ARG  99   4.077   6.475 -11.363
  761   2HG   ARG  99          1HG       ARG  99   5.412   6.975 -10.328
  762   1HD   ARG  99          2HD       ARG  99   5.688   4.609 -12.185
  763   2HD   ARG  99          1HD       ARG  99   5.969   6.256 -12.750
  764    HE   ARG  99           HE       ARG  99   7.438   5.681 -10.312
  765   1HH1  ARG  99          1HH2      ARG  99   7.328   5.315 -13.739
  766   2HH1  ARG  99          2HH2      ARG  99   9.047   5.188 -13.912
  767   1HH2  ARG  99          1HH1      ARG  99   9.680   5.521 -10.519
  768   2HH2  ARG  99          2HH1      ARG  99  10.379   5.305 -12.089
  769    H    ALA 100           H        ALA 100   2.086   5.385  -8.557
  770    HA   ALA 100           HA       ALA 100   1.424   8.153  -8.902
  771   1HB   ALA 100          1HB       ALA 100  -0.140   6.349  -9.506
  772   2HB   ALA 100          2HB       ALA 100  -0.888   7.446  -8.346
  773   3HB   ALA 100          3HB       ALA 100  -0.271   5.884  -7.809
  774    H    TYR 101           H        TYR 101   2.234   6.281  -6.112
  775    HA   TYR 101           HA       TYR 101   0.984   8.066  -4.189
  776   1HB   TYR 101          2HB       TYR 101   1.430   5.779  -3.530
  777   2HB   TYR 101          1HB       TYR 101   3.108   5.939  -4.011
  778    HD1  TYR 101           1HD      TYR 101   4.633   7.456  -2.794
  779    HD2  TYR 101           2HD      TYR 101   0.714   6.485  -1.362
  780    HE1  TYR 101           1HE      TYR 101   5.262   8.252  -0.547
  781    HE2  TYR 101           2HE      TYR 101   1.334   7.279   0.897
  782    HH   TYR 101           HH       TYR 101   4.411   8.894   1.492
  783    H    ASN 102           H        ASN 102   3.981   7.825  -5.965
  784    HA   ASN 102           HA       ASN 102   5.470   9.614  -4.314
  785   1HB   ASN 102          2HB       ASN 102   7.018   8.602  -5.606
  786   2HB   ASN 102          1HB       ASN 102   5.883   8.313  -6.918
  787   1HD2  ASN 102          1HD2      ASN 102   6.739  11.529  -5.547
  788   2HD2  ASN 102          2HD2      ASN 102   7.460  12.114  -6.970
  789    H    GLN 103           H        GLN 103   3.259  10.214  -7.067
  790    HA   GLN 103           HA       GLN 103   4.005  13.008  -7.211
  791   1HB   GLN 103          2HB       GLN 103   2.097  13.357  -8.584
  792   2HB   GLN 103          1HB       GLN 103   2.581  11.705  -8.947
  793   1HG   GLN 103          2HG       GLN 103   0.264  11.507  -8.633
  794   2HG   GLN 103          1HG       GLN 103   0.917  11.054  -7.071
  795   1HE2  GLN 103          1HE2      GLN 103   0.179  12.159  -5.296
  796   2HE2  GLN 103          2HE2      GLN 103  -0.679  13.622  -5.347
  797    H    LYS 104           H        LYS 104   2.183  11.018  -5.106
  798    HA   LYS 104           HA       LYS 104   0.886  13.273  -3.714
  799   1HB   LYS 104          2HB       LYS 104  -0.476  11.580  -3.030
  800   2HB   LYS 104          1HB       LYS 104   0.601  10.394  -3.742
  801   1HG   LYS 104          2HG       LYS 104   1.889  10.255  -1.692
  802   2HG   LYS 104          1HG       LYS 104   0.985  11.587  -0.986
  803   1HD   LYS 104          2HD       LYS 104  -1.112  10.091  -1.424
  804   2HD   LYS 104          1HD       LYS 104   0.057   8.787  -1.548
  805   1HE   LYS 104          2HE       LYS 104  -0.634  10.492   0.823
  806   2HE   LYS 104          1HE       LYS 104  -0.480   8.740   0.716
  807   1HZ   LYS 104          1HZ       LYS 104   1.481  10.656   1.396
  808   2HZ   LYS 104          2HZ       LYS 104   1.982   9.805   0.015
  809   3HZ   LYS 104          3HZ       LYS 104   1.593   8.965   1.436
  810    H    TYR 105           H        TYR 105   3.832  11.339  -3.478
  811    HA   TYR 105           HA       TYR 105   4.535  12.675  -0.932
  812   1HB   TYR 105          2HB       TYR 105   5.425  10.647  -0.471
  813   2HB   TYR 105          1HB       TYR 105   5.140  10.113  -2.110
  814    HD1  TYR 105           1HD      TYR 105   6.853  11.338  -3.862
  815    HD2  TYR 105           2HD      TYR 105   7.640  10.482   0.258
  816    HE1  TYR 105           1HE      TYR 105   9.292  11.341  -4.336
  817    HE2  TYR 105           2HE      TYR 105  10.078  10.497  -0.197
  818    HH   TYR 105           HH       TYR 105  11.590  11.658  -2.065
  819    H    GLY 106           H        GLY 106   4.541  13.612  -3.961
  820   1HA   GLY 106          2HA       GLY 106   7.317  14.556  -4.201
  821   2HA   GLY 106          1HA       GLY 106   5.999  14.909  -5.320
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  15.355   5.351  11.559
    2   2H    ALA   1          2HT       ALA   1  14.605   6.871  11.429
    3   3H    ALA   1          3HT       ALA   1  16.168   6.635  10.806
    4    HA   ALA   1           HA       ALA   1  14.442   6.678   9.065
    5   1HB   ALA   1          1HB       ALA   1  15.334   4.804   7.869
    6   2HB   ALA   1          2HB       ALA   1  15.707   3.945   9.363
    7   3HB   ALA   1          3HB       ALA   1  16.630   5.379   8.915
    8    H    ASP   2           H        ASP   2  12.489   6.574  10.738
    9    HA   ASP   2           HA       ASP   2  11.271   3.899  10.973
   10   1HB   ASP   2          2HB       ASP   2  10.503   6.694  11.798
   11   2HB   ASP   2          1HB       ASP   2   9.323   5.383  11.870
   12    H    LEU   3           H        LEU   3  11.208   6.599   8.841
   13    HA   LEU   3           HA       LEU   3   8.620   5.840   7.650
   14   1HB   LEU   3          2HB       LEU   3  10.597   7.944   6.708
   15   2HB   LEU   3          1HB       LEU   3   8.911   7.784   6.220
   16    HG   LEU   3           HG       LEU   3   9.874   8.387   9.035
   17   1HD1  LEU   3          1HD1      LEU   3   9.136  10.627   8.663
   18   2HD1  LEU   3          2HD1      LEU   3   8.357  10.194   7.142
   19   3HD1  LEU   3          3HD1      LEU   3  10.117  10.207   7.259
   20   1HD2  LEU   3          1HD2      LEU   3   7.817   7.264   9.300
   21   2HD2  LEU   3          2HD2      LEU   3   7.152   7.928   7.808
   22   3HD2  LEU   3          3HD2      LEU   3   7.328   8.955   9.231
   23    H    GLU   4           H        GLU   4  12.046   6.044   6.708
   24    HA   GLU   4           HA       GLU   4  11.716   4.833   4.128
   25   1HB   GLU   4          2HB       GLU   4  14.189   4.551   5.848
   26   2HB   GLU   4          1HB       GLU   4  14.085   4.675   4.091
   27   1HG   GLU   4          2HG       GLU   4  13.170   7.011   4.396
   28   2HG   GLU   4          1HG       GLU   4  13.557   6.866   6.111
   29    H    ASP   5           H        ASP   5  11.807   3.724   7.377
   30    HA   ASP   5           HA       ASP   5  12.454   0.957   6.794
   31   1HB   ASP   5          2HB       ASP   5  12.861   1.587   9.013
   32   2HB   ASP   5          1HB       ASP   5  11.366   2.515   9.115
   33    H    ASN   6           H        ASN   6   9.409   2.723   7.427
   34    HA   ASN   6           HA       ASN   6   7.628   0.552   7.216
   35   1HB   ASN   6          2HB       ASN   6   6.397   2.395   7.833
   36   2HB   ASN   6          1HB       ASN   6   7.481   3.498   6.998
   37   1HD2  ASN   6          1HD2      ASN   6   7.268   3.211   4.432
   38   2HD2  ASN   6          2HD2      ASN   6   5.672   3.160   3.851
   39    H    TRP   7           H        TRP   7   9.142   2.510   4.685
   40    HA   TRP   7           HA       TRP   7   7.702   1.551   2.448
   41   1HB   TRP   7          2HB       TRP   7  10.493   2.613   2.850
   42   2HB   TRP   7          1HB       TRP   7  10.086   1.904   1.291
   43    HD1  TRP   7           HD       TRP   7   8.348   4.431   3.682
   44    HE1  TRP   7           1HE      TRP   7   7.446   6.377   2.249
   45    HE3  TRP   7           3HE      TRP   7   9.794   2.849  -0.950
   46    HZ2  TRP   7           2HZ      TRP   7   7.355   7.154  -0.498
   47    HZ3  TRP   7           3HZ      TRP   7   9.284   4.209  -2.959
   48    HH2  TRP   7           HH       TRP   7   8.066   6.358  -2.738
   49    H    GLU   8           H        GLU   8  10.812   0.247   3.722
   50    HA   GLU   8           HA       GLU   8  10.991  -1.915   1.977
   51   1HB   GLU   8          2HB       GLU   8  12.659  -1.179   3.767
   52   2HB   GLU   8          1HB       GLU   8  11.664  -2.081   4.910
   53   1HG   GLU   8          2HG       GLU   8  11.878  -4.054   3.337
   54   2HG   GLU   8          1HG       GLU   8  13.144  -3.151   2.511
   55    H    THR   9           H        THR   9   8.873  -1.493   4.778
   56    HA   THR   9           HA       THR   9   8.152  -4.280   4.943
   57    HB   THR   9           HB       THR   9   6.645  -1.822   5.880
   58    HG1  THR   9           1HG      THR   9   7.449  -3.100   7.900
   59   1HG2  THR   9          1HG2      THR   9   5.033  -3.564   5.633
   60   2HG2  THR   9          2HG2      THR   9   5.476  -3.551   7.340
   61   3HG2  THR   9          3HG2      THR   9   6.148  -4.776   6.264
   62    H    LEU  10           H        LEU  10   6.119  -1.555   3.741
   63    HA   LEU  10           HA       LEU  10   4.293  -3.290   2.424
   64   1HB   LEU  10          2HB       LEU  10   3.636  -1.318   1.049
   65   2HB   LEU  10          1HB       LEU  10   3.685  -0.976   2.774
   66    HG   LEU  10           HG       LEU  10   6.238  -0.298   2.086
   67   1HD1  LEU  10          1HD1      LEU  10   5.605  -0.753  -0.360
   68   2HD1  LEU  10          2HD1      LEU  10   6.346   0.806  -0.016
   69   3HD1  LEU  10          3HD1      LEU  10   4.603   0.691  -0.249
   70   1HD2  LEU  10          1HD2      LEU  10   3.743   1.407   1.999
   71   2HD2  LEU  10          2HD2      LEU  10   5.373   2.079   1.959
   72   3HD2  LEU  10          3HD2      LEU  10   4.830   1.166   3.367
   73    H    ASN  11           H        ASN  11   7.449  -2.076   1.469
   74    HA   ASN  11           HA       ASN  11   7.196  -2.901  -1.304
   75   1HB   ASN  11          2HB       ASN  11   8.939  -1.264  -0.180
   76   2HB   ASN  11          1HB       ASN  11   9.879  -2.734   0.076
   77   1HD2  ASN  11          1HD2      ASN  11   8.718  -3.939  -2.498
   78   2HD2  ASN  11          2HD2      ASN  11   9.515  -3.131  -3.762
   79    H    ASP  12           H        ASP  12   9.096  -4.295   1.399
   80    HA   ASP  12           HA       ASP  12   9.762  -6.737   0.128
   81   1HB   ASP  12          2HB       ASP  12  10.841  -6.051   2.204
   82   2HB   ASP  12          1HB       ASP  12   9.309  -6.154   3.070
   83    H    ASN  13           H        ASN  13   6.731  -5.618   1.172
   84    HA   ASN  13           HA       ASN  13   5.509  -8.164   1.817
   85   1HB   ASN  13          2HB       ASN  13   4.713  -5.350   1.516
   86   2HB   ASN  13          1HB       ASN  13   3.513  -6.430   0.868
   87   1HD2  ASN  13          1HD2      ASN  13   3.638  -4.668   3.402
   88   2HD2  ASN  13          2HD2      ASN  13   3.145  -5.728   4.647
   89    H    LEU  14           H        LEU  14   5.438  -5.986  -0.998
   90    HA   LEU  14           HA       LEU  14   3.944  -7.591  -2.757
   91   1HB   LEU  14          2HB       LEU  14   6.179  -5.628  -3.283
   92   2HB   LEU  14          1HB       LEU  14   5.165  -6.305  -4.558
   93    HG   LEU  14           HG       LEU  14   3.810  -5.061  -2.174
   94   1HD1  LEU  14          1HD1      LEU  14   3.852  -2.869  -3.548
   95   2HD1  LEU  14          2HD1      LEU  14   5.265  -3.561  -4.344
   96   3HD1  LEU  14          3HD1      LEU  14   5.283  -3.281  -2.604
   97   1HD2  LEU  14          1HD2      LEU  14   3.158  -4.957  -5.134
   98   2HD2  LEU  14          2HD2      LEU  14   2.090  -4.586  -3.785
   99   3HD2  LEU  14          3HD2      LEU  14   2.601  -6.246  -4.066
  100    H    LYS  15           H        LYS  15   7.296  -7.905  -1.785
  101    HA   LYS  15           HA       LYS  15   8.084  -9.547  -4.022
  102   1HB   LYS  15          2HB       LYS  15   9.670  -8.430  -2.378
  103   2HB   LYS  15          1HB       LYS  15   9.229  -9.690  -1.222
  104   1HG   LYS  15          2HG       LYS  15   9.829 -11.314  -3.258
  105   2HG   LYS  15          1HG       LYS  15  10.784  -9.926  -3.788
  106   1HD   LYS  15          2HD       LYS  15  11.005 -11.336  -1.112
  107   2HD   LYS  15          1HD       LYS  15  12.177 -11.398  -2.427
  108   1HE   LYS  15          2HE       LYS  15  12.360  -8.869  -2.225
  109   2HE   LYS  15          1HE       LYS  15  11.427  -9.004  -0.736
  110   1HZ   LYS  15          1HZ       LYS  15  13.738  -9.043  -0.197
  111   2HZ   LYS  15          2HZ       LYS  15  14.042 -10.279  -1.321
  112   3HZ   LYS  15          3HZ       LYS  15  13.114 -10.598   0.067
  113    H    VAL  16           H        VAL  16   7.226 -10.459  -0.648
  114    HA   VAL  16           HA       VAL  16   7.255 -13.237  -1.111
  115    HB   VAL  16           HB       VAL  16   5.579 -13.452   0.749
  116   1HG1  VAL  16          1HG1      VAL  16   7.142 -12.333   2.437
  117   2HG1  VAL  16          2HG1      VAL  16   8.077 -11.795   1.041
  118   3HG1  VAL  16          3HG1      VAL  16   7.854 -13.519   1.343
  119   1HG2  VAL  16          1HG2      VAL  16   4.701 -11.576   1.851
  120   2HG2  VAL  16          2HG2      VAL  16   4.537 -11.153   0.151
  121   3HG2  VAL  16          3HG2      VAL  16   5.849 -10.468   1.109
  122    H    ILE  17           H        ILE  17   4.917 -10.929  -2.294
  123    HA   ILE  17           HA       ILE  17   2.799 -12.890  -2.647
  124    HB   ILE  17           HB       ILE  17   3.167 -10.426  -4.366
  125   1HG1  ILE  17          2HG1      ILE  17   2.073 -10.643  -1.551
  126   2HG1  ILE  17          1HG1      ILE  17   3.499  -9.756  -2.068
  127   1HG2  ILE  17          1HG2      ILE  17   0.637 -11.635  -3.228
  128   2HG2  ILE  17          2HG2      ILE  17   1.329 -12.206  -4.744
  129   3HG2  ILE  17          3HG2      ILE  17   0.801 -10.528  -4.591
  130   1HD1  ILE  17          1HD1      ILE  17   0.618  -9.169  -2.736
  131   2HD1  ILE  17          2HD1      ILE  17   1.954  -8.456  -3.639
  132   3HD1  ILE  17          3HD1      ILE  17   1.773  -8.119  -1.917
  133    H    GLU  18           H        GLU  18   4.641 -11.258  -5.259
  134    HA   GLU  18           HA       GLU  18   4.158 -13.162  -7.260
  135   1HB   GLU  18          2HB       GLU  18   6.935 -12.019  -7.118
  136   2HB   GLU  18          1HB       GLU  18   5.813 -12.081  -8.479
  137   1HG   GLU  18          2HG       GLU  18   4.389 -10.421  -7.014
  138   2HG   GLU  18          1HG       GLU  18   5.915 -10.128  -6.192
  139    H    LYS  19           H        LYS  19   6.275 -13.331  -4.511
  140    HA   LYS  19           HA       LYS  19   7.414 -15.923  -5.463
  141   1HB   LYS  19          2HB       LYS  19   8.379 -13.749  -3.727
  142   2HB   LYS  19          1HB       LYS  19   8.610 -15.327  -2.989
  143   1HG   LYS  19          2HG       LYS  19  10.586 -14.864  -4.257
  144   2HG   LYS  19          1HG       LYS  19   9.679 -16.075  -5.149
  145   1HD   LYS  19          2HD       LYS  19   9.782 -14.702  -6.969
  146   2HD   LYS  19          1HD       LYS  19   8.681 -13.615  -6.130
  147   1HE   LYS  19          2HE       LYS  19  10.619 -12.334  -6.780
  148   2HE   LYS  19          1HE       LYS  19  10.702 -12.560  -5.033
  149   1HZ   LYS  19          1HZ       LYS  19  12.578 -13.318  -6.953
  150   2HZ   LYS  19          2HZ       LYS  19  11.937 -14.744  -6.287
  151   3HZ   LYS  19          3HZ       LYS  19  12.639 -13.572  -5.277
  152    H    ALA  20           H        ALA  20   4.754 -14.891  -3.783
  153    HA   ALA  20           HA       ALA  20   4.753 -16.535  -1.451
  154   1HB   ALA  20          1HB       ALA  20   2.906 -15.094  -1.470
  155   2HB   ALA  20          2HB       ALA  20   2.146 -16.591  -1.996
  156   3HB   ALA  20          3HB       ALA  20   2.579 -15.374  -3.176
  157    H    ASP  21           H        ASP  21   3.771 -17.128  -4.769
  158    HA   ASP  21           HA       ASP  21   3.422 -19.072  -5.984
  159   1HB   ASP  21          2HB       ASP  21   5.336 -20.048  -3.862
  160   2HB   ASP  21          1HB       ASP  21   4.720 -21.112  -5.120
  161    H    ASN  22           H        ASN  22   2.259 -18.777  -2.802
  162    HA   ASN  22           HA       ASN  22   0.225 -20.837  -3.414
  163   1HB   ASN  22          2HB       ASN  22   1.332 -20.868  -0.613
  164   2HB   ASN  22          1HB       ASN  22   0.457 -22.127  -1.487
  165   1HD2  ASN  22          1HD2      ASN  22   3.412 -20.213  -2.062
  166   2HD2  ASN  22          2HD2      ASN  22   4.372 -21.539  -2.473
  167    H    ALA  23           H        ALA  23  -1.765 -20.368  -2.522
  168    HA   ALA  23           HA       ALA  23  -2.435 -17.698  -1.945
  169   1HB   ALA  23          1HB       ALA  23  -4.144 -19.210  -2.647
  170   2HB   ALA  23          2HB       ALA  23  -4.572 -18.686  -1.018
  171   3HB   ALA  23          3HB       ALA  23  -3.854 -20.276  -1.274
  172    H    ALA  24           H        ALA  24  -1.373 -20.217   0.289
  173    HA   ALA  24           HA       ALA  24  -2.300 -19.000   2.695
  174   1HB   ALA  24          1HB       ALA  24  -1.376 -21.304   2.565
  175   2HB   ALA  24          2HB       ALA  24  -0.604 -20.347   3.829
  176   3HB   ALA  24          3HB       ALA  24   0.229 -20.625   2.300
  177    H    GLN  25           H        GLN  25   0.889 -18.705   1.103
  178    HA   GLN  25           HA       GLN  25   1.872 -16.746   2.948
  179   1HB   GLN  25          2HB       GLN  25   2.856 -16.980   0.117
  180   2HB   GLN  25          1HB       GLN  25   3.764 -16.648   1.580
  181   1HG   GLN  25          2HG       GLN  25   2.978 -19.056   2.298
  182   2HG   GLN  25          1HG       GLN  25   2.689 -19.275   0.569
  183   1HE2  GLN  25          1HE2      GLN  25   4.681 -18.533  -0.844
  184   2HE2  GLN  25          2HE2      GLN  25   6.209 -18.981  -0.256
  185    H    VAL  26           H        VAL  26  -0.269 -16.519   0.243
  186    HA   VAL  26           HA       VAL  26   0.284 -13.729  -0.383
  187    HB   VAL  26           HB       VAL  26  -2.295 -15.249  -0.894
  188   1HG1  VAL  26          1HG1      VAL  26  -2.816 -13.541  -2.472
  189   2HG1  VAL  26          2HG1      VAL  26  -1.177 -12.897  -2.442
  190   3HG1  VAL  26          3HG1      VAL  26  -2.239 -12.659  -1.062
  191   1HG2  VAL  26          1HG2      VAL  26  -1.422 -15.895  -3.004
  192   2HG2  VAL  26          2HG2      VAL  26  -0.104 -16.197  -1.887
  193   3HG2  VAL  26          3HG2      VAL  26  -0.076 -14.763  -2.892
  194    H    LYS  27           H        LYS  27  -2.334 -15.338   1.539
  195    HA   LYS  27           HA       LYS  27  -3.587 -12.948   2.397
  196   1HB   LYS  27          2HB       LYS  27  -3.061 -15.455   4.024
  197   2HB   LYS  27          1HB       LYS  27  -4.191 -14.193   4.475
  198   1HG   LYS  27          2HG       LYS  27  -5.825 -15.135   3.205
  199   2HG   LYS  27          1HG       LYS  27  -4.813 -15.072   1.776
  200   1HD   LYS  27          2HD       LYS  27  -5.380 -17.397   2.190
  201   2HD   LYS  27          1HD       LYS  27  -3.676 -17.159   2.538
  202   1HE   LYS  27          2HE       LYS  27  -3.941 -17.460   4.801
  203   2HE   LYS  27          1HE       LYS  27  -5.575 -16.796   4.815
  204   1HZ   LYS  27          1HZ       LYS  27  -6.245 -18.897   4.894
  205   2HZ   LYS  27          2HZ       LYS  27  -4.714 -19.506   4.482
  206   3HZ   LYS  27          3HZ       LYS  27  -5.792 -19.016   3.264
  207    H    ASP  28           H        ASP  28  -1.094 -14.874   3.951
  208    HA   ASP  28           HA       ASP  28  -0.409 -13.246   6.101
  209   1HB   ASP  28          2HB       ASP  28   1.550 -14.767   4.351
  210   2HB   ASP  28          1HB       ASP  28   1.745 -14.381   6.061
  211    H    ALA  29           H        ALA  29   0.645 -12.988   2.722
  212    HA   ALA  29           HA       ALA  29   2.579 -10.928   3.180
  213   1HB   ALA  29          1HB       ALA  29   0.997 -11.600   0.685
  214   2HB   ALA  29          2HB       ALA  29   2.589 -12.232   1.109
  215   3HB   ALA  29          3HB       ALA  29   2.386 -10.518   0.740
  216    H    LEU  30           H        LEU  30  -0.634 -10.641   1.629
  217    HA   LEU  30           HA       LEU  30  -0.711  -7.802   1.781
  218   1HB   LEU  30          2HB       LEU  30  -3.056  -9.724   1.733
  219   2HB   LEU  30          1HB       LEU  30  -3.095  -8.023   1.289
  220    HG   LEU  30           HG       LEU  30  -1.505 -10.190  -0.110
  221   1HD1  LEU  30          1HD1      LEU  30  -3.041  -9.787  -1.967
  222   2HD1  LEU  30          2HD1      LEU  30  -3.853  -8.515  -1.054
  223   3HD1  LEU  30          3HD1      LEU  30  -3.963 -10.190  -0.521
  224   1HD2  LEU  30          1HD2      LEU  30  -0.172  -8.291  -0.431
  225   2HD2  LEU  30          2HD2      LEU  30  -1.544  -7.185  -0.362
  226   3HD2  LEU  30          3HD2      LEU  30  -1.271  -8.163  -1.803
  227    H    THR  31           H        THR  31  -1.263 -10.188   4.226
  228    HA   THR  31           HA       THR  31  -2.990  -8.717   5.978
  229    HB   THR  31           HB       THR  31  -0.696 -10.555   6.758
  230    HG1  THR  31           1HG      THR  31  -3.358 -11.391   6.582
  231   1HG2  THR  31          1HG2      THR  31  -3.284 -10.349   8.266
  232   2HG2  THR  31          2HG2      THR  31  -2.091  -9.073   8.498
  233   3HG2  THR  31          3HG2      THR  31  -1.674 -10.745   8.861
  234    H    LYS  32           H        LYS  32   0.541  -8.901   5.731
  235    HA   LYS  32           HA       LYS  32   1.032  -6.933   7.781
  236   1HB   LYS  32          2HB       LYS  32   2.656  -8.212   5.589
  237   2HB   LYS  32          1HB       LYS  32   3.351  -6.943   6.594
  238   1HG   LYS  32          2HG       LYS  32   2.066  -8.887   8.335
  239   2HG   LYS  32          1HG       LYS  32   3.080  -9.762   7.201
  240   1HD   LYS  32          2HD       LYS  32   4.143  -7.360   8.705
  241   2HD   LYS  32          1HD       LYS  32   4.144  -8.968   9.421
  242   1HE   LYS  32          2HE       LYS  32   6.277  -8.294   8.176
  243   2HE   LYS  32          1HE       LYS  32   5.567  -9.844   7.724
  244   1HZ   LYS  32          1HZ       LYS  32   5.284  -7.264   6.286
  245   2HZ   LYS  32          2HZ       LYS  32   4.419  -8.673   5.894
  246   3HZ   LYS  32          3HZ       LYS  32   6.111  -8.644   5.751
  247    H    MET  33           H        MET  33   0.344  -6.732   4.346
  248    HA   MET  33           HA       MET  33   1.376  -4.061   3.934
  249   1HB   MET  33          2HB       MET  33  -0.834  -5.611   2.569
  250   2HB   MET  33          1HB       MET  33  -0.294  -4.025   2.026
  251   1HG   MET  33          2HG       MET  33   2.057  -5.023   1.948
  252   2HG   MET  33          1HG       MET  33   1.276  -6.597   2.098
  253   1HE   MET  33          1HE       MET  33   1.466  -3.263   0.020
  254   2HE   MET  33          2HE       MET  33   1.821  -4.019  -1.528
  255   3HE   MET  33          3HE       MET  33   2.853  -4.349  -0.143
  256    H    ARG  34           H        ARG  34  -2.003  -5.121   4.102
  257    HA   ARG  34           HA       ARG  34  -3.171  -2.629   4.542
  258   1HB   ARG  34          2HB       ARG  34  -4.253  -5.020   4.302
  259   2HB   ARG  34          1HB       ARG  34  -4.196  -5.035   6.059
  260   1HG   ARG  34          2HG       ARG  34  -5.734  -3.277   6.269
  261   2HG   ARG  34          1HG       ARG  34  -5.400  -2.645   4.663
  262   1HD   ARG  34          2HD       ARG  34  -6.452  -4.782   3.738
  263   2HD   ARG  34          1HD       ARG  34  -7.022  -5.097   5.365
  264    HE   ARG  34           HE       ARG  34  -7.920  -2.901   3.603
  265   1HH1  ARG  34          1HH2      ARG  34  -7.907  -4.400   6.719
  266   2HH1  ARG  34          2HH2      ARG  34  -9.434  -3.737   7.190
  267   1HH2  ARG  34          1HH1      ARG  34  -9.947  -2.054   4.213
  268   2HH2  ARG  34          2HH1      ARG  34 -10.577  -2.412   5.783
  269    H    ALA  35           H        ALA  35  -1.192  -4.502   6.619
  270    HA   ALA  35           HA       ALA  35  -1.967  -3.171   9.103
  271   1HB   ALA  35          1HB       ALA  35   0.719  -4.475   8.664
  272   2HB   ALA  35          2HB       ALA  35  -0.735  -5.462   8.789
  273   3HB   ALA  35          3HB       ALA  35  -0.261  -4.420  10.128
  274    H    ALA  36           H        ALA  36   1.080  -3.049   7.191
  275    HA   ALA  36           HA       ALA  36   1.974  -0.614   8.423
  276   1HB   ALA  36          1HB       ALA  36   2.720  -1.523   5.636
  277   2HB   ALA  36          2HB       ALA  36   3.363  -2.305   7.082
  278   3HB   ALA  36          3HB       ALA  36   3.700  -0.600   6.777
  279    H    ALA  37           H        ALA  37  -0.164  -1.257   5.715
  280    HA   ALA  37           HA       ALA  37  -0.074   1.296   4.463
  281   1HB   ALA  37          1HB       ALA  37  -2.118   0.709   3.419
  282   2HB   ALA  37          2HB       ALA  37  -2.623  -0.296   4.778
  283   3HB   ALA  37          3HB       ALA  37  -1.327  -0.839   3.710
  284    H    LEU  38           H        LEU  38  -1.968   0.107   7.226
  285    HA   LEU  38           HA       LEU  38  -3.447   2.539   7.622
  286   1HB   LEU  38          2HB       LEU  38  -2.657   0.333   9.548
  287   2HB   LEU  38          1HB       LEU  38  -3.761   1.640   9.963
  288    HG   LEU  38           HG       LEU  38  -4.278  -0.055   7.516
  289   1HD1  LEU  38          1HD1      LEU  38  -5.771  -1.455   9.014
  290   2HD1  LEU  38          2HD1      LEU  38  -4.938  -0.735  10.391
  291   3HD1  LEU  38          3HD1      LEU  38  -4.040  -1.716   9.233
  292   1HD2  LEU  38          1HD2      LEU  38  -6.008   1.536   9.442
  293   2HD2  LEU  38          2HD2      LEU  38  -6.657   0.503   8.171
  294   3HD2  LEU  38          3HD2      LEU  38  -5.684   1.907   7.747
  295    H    ASP  39           H        ASP  39  -0.227   1.466   8.506
  296    HA   ASP  39           HA       ASP  39   0.168   3.735  10.348
  297   1HB   ASP  39          2HB       ASP  39   1.241   1.441  10.638
  298   2HB   ASP  39          1HB       ASP  39   2.272   1.846   9.265
  299    H    ALA  40           H        ALA  40   1.065   2.837   7.031
  300    HA   ALA  40           HA       ALA  40   2.963   4.879   6.550
  301   1HB   ALA  40          1HB       ALA  40   0.881   3.853   4.591
  302   2HB   ALA  40          2HB       ALA  40   2.417   3.054   4.929
  303   3HB   ALA  40          3HB       ALA  40   2.401   4.649   4.179
  304    H    GLN  41           H        GLN  41  -0.523   5.015   6.784
  305    HA   GLN  41           HA       GLN  41  -1.164   7.446   5.581
  306   1HB   GLN  41          2HB       GLN  41  -2.777   5.965   6.762
  307   2HB   GLN  41          1HB       GLN  41  -2.071   6.439   8.302
  308   1HG   GLN  41          2HG       GLN  41  -3.035   8.604   6.457
  309   2HG   GLN  41          1HG       GLN  41  -4.230   7.681   7.361
  310   1HE2  GLN  41          1HE2      GLN  41  -1.562   9.986   7.677
  311   2HE2  GLN  41          2HE2      GLN  41  -1.839  10.346   9.313
  312    H    LYS  42           H        LYS  42  -0.031   6.937   8.887
  313    HA   LYS  42           HA       LYS  42   0.321   9.703   9.543
  314   1HB   LYS  42          2HB       LYS  42   2.047   7.608  10.834
  315   2HB   LYS  42          1HB       LYS  42   1.159   8.937  11.583
  316   1HG   LYS  42          2HG       LYS  42  -0.088   6.404  10.450
  317   2HG   LYS  42          1HG       LYS  42   0.210   6.709  12.145
  318   1HD   LYS  42          2HD       LYS  42  -1.390   8.773  10.684
  319   2HD   LYS  42          1HD       LYS  42  -2.170   7.235  11.002
  320   1HE   LYS  42          2HE       LYS  42  -0.747   8.792  13.168
  321   2HE   LYS  42          1HE       LYS  42  -2.449   9.049  12.789
  322   1HZ   LYS  42          1HZ       LYS  42  -2.951   7.277  13.988
  323   2HZ   LYS  42          2HZ       LYS  42  -1.311   7.031  14.355
  324   3HZ   LYS  42          3HZ       LYS  42  -1.998   6.296  12.986
  325    H    ALA  43           H        ALA  43   1.848   8.151   7.135
  326    HA   ALA  43           HA       ALA  43   4.608   8.945   7.731
  327   1HB   ALA  43          1HB       ALA  43   5.160   8.069   5.569
  328   2HB   ALA  43          2HB       ALA  43   3.479   8.132   5.043
  329   3HB   ALA  43          3HB       ALA  43   3.977   6.969   6.273
  330    H    THR  44           H        THR  44   5.722  10.680   6.816
  331    HA   THR  44           HA       THR  44   4.339  12.522   4.974
  332    HB   THR  44           HB       THR  44   4.958  14.469   6.574
  333    HG1  THR  44           1HG      THR  44   5.146  13.914   8.699
  334   1HG2  THR  44          1HG2      THR  44   2.737  12.591   7.422
  335   2HG2  THR  44          2HG2      THR  44   2.636  13.708   6.060
  336   3HG2  THR  44          3HG2      THR  44   2.811  14.329   7.702
  337    HA   PRO  45           HA       PRO  45   8.955  11.658   4.458
  338   1HB   PRO  45          2HB       PRO  45   7.954  12.231   1.686
  339   2HB   PRO  45          1HB       PRO  45   9.154  11.045   2.229
  340   1HG   PRO  45          2HG       PRO  45   6.648  10.313   1.630
  341   2HG   PRO  45          1HG       PRO  45   7.564   9.544   2.932
  342   1HD   PRO  45          2HD       PRO  45   5.265  11.421   3.136
  343   2HD   PRO  45          1HD       PRO  45   5.827  10.201   4.296
  344    HA   PRO  46           HA       PRO  46   9.227  16.133   3.074
  345   1HB   PRO  46          2HB       PRO  46   7.171  17.402   1.882
  346   2HB   PRO  46          1HB       PRO  46   8.077  16.132   1.040
  347   1HG   PRO  46          2HG       PRO  46   5.328  16.068   2.082
  348   2HG   PRO  46          1HG       PRO  46   6.107  15.003   0.897
  349   1HD   PRO  46          2HD       PRO  46   5.763  14.596   3.796
  350   2HD   PRO  46          1HD       PRO  46   6.239  13.424   2.561
  351    H    LYS  47           H        LYS  47   6.047  17.400   3.313
  352    HA   LYS  47           HA       LYS  47   5.800  17.725   6.155
  353   1HB   LYS  47          2HB       LYS  47   6.280  20.326   5.953
  354   2HB   LYS  47          1HB       LYS  47   7.607  19.215   6.256
  355   1HG   LYS  47          2HG       LYS  47   8.288  19.227   3.964
  356   2HG   LYS  47          1HG       LYS  47   6.796  19.997   3.457
  357   1HD   LYS  47          2HD       LYS  47   7.933  21.987   3.576
  358   2HD   LYS  47          1HD       LYS  47   7.897  21.814   5.327
  359   1HE   LYS  47          2HE       LYS  47  10.089  20.926   3.440
  360   2HE   LYS  47          1HE       LYS  47  10.187  22.154   4.701
  361   1HZ   LYS  47          1HZ       LYS  47  10.109  20.567   6.368
  362   2HZ   LYS  47          2HZ       LYS  47  11.095  19.830   5.195
  363   3HZ   LYS  47          3HZ       LYS  47   9.468  19.368   5.353
  364    H    LEU  48           H        LEU  48   3.552  17.516   5.900
  365    HA   LEU  48           HA       LEU  48   2.190  19.005   3.788
  366   1HB   LEU  48          2HB       LEU  48   1.624  16.649   5.022
  367   2HB   LEU  48          1HB       LEU  48   0.600  17.716   5.975
  368    HG   LEU  48           HG       LEU  48   0.585  17.719   2.949
  369   1HD1  LEU  48          1HD1      LEU  48  -0.027  15.472   3.731
  370   2HD1  LEU  48          2HD1      LEU  48  -1.449  16.311   3.112
  371   3HD1  LEU  48          3HD1      LEU  48  -1.197  16.169   4.852
  372   1HD2  LEU  48          1HD2      LEU  48  -1.254  18.798   5.103
  373   2HD2  LEU  48          2HD2      LEU  48  -1.747  18.648   3.417
  374   3HD2  LEU  48          3HD2      LEU  48  -0.405  19.705   3.851
  375    H    GLU  49           H        GLU  49   3.603  20.588   5.708
  376    HA   GLU  49           HA       GLU  49   1.335  22.264   6.695
  377   1HB   GLU  49          2HB       GLU  49   2.830  22.871   8.658
  378   2HB   GLU  49          1HB       GLU  49   2.198  21.225   8.705
  379   1HG   GLU  49          2HG       GLU  49   4.281  20.323   7.891
  380   2HG   GLU  49          1HG       GLU  49   4.911  21.937   7.558
  381    H    ASP  50           H        ASP  50   3.217  22.086   4.367
  382    HA   ASP  50           HA       ASP  50   4.007  24.936   4.355
  383   1HB   ASP  50          2HB       ASP  50   5.905  22.643   4.520
  384   2HB   ASP  50          1HB       ASP  50   6.313  23.869   3.317
  385    H    LYS  51           H        LYS  51   4.036  21.839   2.625
  386    HA   LYS  51           HA       LYS  51   4.162  23.009   0.010
  387   1HB   LYS  51          2HB       LYS  51   3.764  20.814  -0.793
  388   2HB   LYS  51          1HB       LYS  51   4.690  20.611   0.684
  389   1HG   LYS  51          2HG       LYS  51   2.460  20.365   1.899
  390   2HG   LYS  51          1HG       LYS  51   1.723  20.214   0.312
  391   1HD   LYS  51          2HD       LYS  51   3.830  18.413   1.511
  392   2HD   LYS  51          1HD       LYS  51   2.163  18.003   1.116
  393   1HE   LYS  51          2HE       LYS  51   4.422  18.595  -0.797
  394   2HE   LYS  51          1HE       LYS  51   3.459  17.125  -0.672
  395   1HZ   LYS  51          1HZ       LYS  51   2.517  18.215  -2.459
  396   2HZ   LYS  51          2HZ       LYS  51   2.681  19.753  -1.756
  397   3HZ   LYS  51          3HZ       LYS  51   1.499  18.675  -1.185
  398    H    SER  52           H        SER  52   1.844  21.563  -1.159
  399    HA   SER  52           HA       SER  52  -0.099  23.689  -0.835
  400   1HB   SER  52          2HB       SER  52   0.401  22.376  -2.978
  401   2HB   SER  52          1HB       SER  52  -0.550  21.072  -2.272
  402    HG   SER  52           HG       SER  52  -2.281  22.567  -2.085
  403    HA   PRO  53           HA       PRO  53  -2.080  21.268   2.488
  404   1HB   PRO  53          2HB       PRO  53  -3.647  23.169   3.526
  405   2HB   PRO  53          1HB       PRO  53  -1.878  23.303   3.658
  406   1HG   PRO  53          2HG       PRO  53  -3.719  24.597   1.674
  407   2HG   PRO  53          1HG       PRO  53  -2.431  25.339   2.651
  408   1HD   PRO  53          2HD       PRO  53  -2.063  24.557   0.041
  409   2HD   PRO  53          1HD       PRO  53  -0.744  24.580   1.237
  410    H    ASP  54           H        ASP  54  -3.570  22.780  -0.220
  411    HA   ASP  54           HA       ASP  54  -5.565  22.392  -1.344
  412   1HB   ASP  54          2HB       ASP  54  -4.719  20.011  -1.105
  413   2HB   ASP  54          1HB       ASP  54  -5.760  19.854   0.307
  414    H    SER  55           H        SER  55  -7.694  20.702   0.398
  415    HA   SER  55           HA       SER  55  -8.317  22.616   2.484
  416   1HB   SER  55          2HB       SER  55  -8.910  23.842   0.374
  417   2HB   SER  55          1HB       SER  55 -10.142  22.619   0.075
  418    HG   SER  55           HG       SER  55 -11.337  23.781   1.348
  419    HA   PRO  56           HA       PRO  56 -11.816  19.135   1.934
  420   1HB   PRO  56          2HB       PRO  56  -9.829  16.989   1.278
  421   2HB   PRO  56          1HB       PRO  56 -11.521  17.147   0.764
  422   1HG   PRO  56          2HG       PRO  56  -9.602  17.717  -0.931
  423   2HG   PRO  56          1HG       PRO  56 -11.000  18.804  -0.807
  424   1HD   PRO  56          2HD       PRO  56  -8.252  19.134   0.377
  425   2HD   PRO  56          1HD       PRO  56  -9.256  20.341  -0.472
  426    H    GLU  57           H        GLU  57 -10.305  20.137   4.126
  427    HA   GLU  57           HA       GLU  57  -9.545  19.562   6.282
  428   1HB   GLU  57          2HB       GLU  57 -12.031  18.568   5.976
  429   2HB   GLU  57          1HB       GLU  57 -11.183  17.036   6.157
  430   1HG   GLU  57          2HG       GLU  57 -10.982  19.355   8.109
  431   2HG   GLU  57          1HG       GLU  57 -12.023  17.949   8.327
  432    H    MET  58           H        MET  58  -8.186  18.543   3.875
  433    HA   MET  58           HA       MET  58  -6.399  17.182   3.338
  434   1HB   MET  58          2HB       MET  58  -6.396  16.251   6.212
  435   2HB   MET  58          1HB       MET  58  -5.064  16.322   5.074
  436   1HG   MET  58          2HG       MET  58  -4.576  18.264   6.187
  437   2HG   MET  58          1HG       MET  58  -5.763  18.952   5.075
  438   1HE   MET  58          1HE       MET  58  -4.759  18.714   8.760
  439   2HE   MET  58          2HE       MET  58  -5.196  17.073   8.290
  440   3HE   MET  58          3HE       MET  58  -6.154  17.920   9.502
  441    H    LYS  59           H        LYS  59  -9.355  16.147   4.398
  442    HA   LYS  59           HA       LYS  59  -9.303  13.375   4.676
  443   1HB   LYS  59          2HB       LYS  59 -11.333  14.907   4.673
  444   2HB   LYS  59          1HB       LYS  59 -11.235  14.921   2.906
  445   1HG   LYS  59          2HG       LYS  59 -11.228  12.200   4.160
  446   2HG   LYS  59          1HG       LYS  59 -12.726  13.103   4.349
  447   1HD   LYS  59          2HD       LYS  59 -13.049  13.288   2.006
  448   2HD   LYS  59          1HD       LYS  59 -11.386  12.831   1.653
  449   1HE   LYS  59          2HE       LYS  59 -13.177  11.021   1.304
  450   2HE   LYS  59          1HE       LYS  59 -11.763  10.565   2.256
  451   1HZ   LYS  59          1HZ       LYS  59 -13.004  10.270   4.059
  452   2HZ   LYS  59          2HZ       LYS  59 -14.361  10.342   3.040
  453   3HZ   LYS  59          3HZ       LYS  59 -13.828  11.737   3.850
  454    H    ASP  60           H        ASP  60  -9.262  15.305   1.722
  455    HA   ASP  60           HA       ASP  60  -9.269  13.203  -0.156
  456   1HB   ASP  60          2HB       ASP  60  -9.585  15.385  -0.969
  457   2HB   ASP  60          1HB       ASP  60  -8.166  16.014  -0.138
  458    H    PHE  61           H        PHE  61  -6.782  14.361   1.991
  459    HA   PHE  61           HA       PHE  61  -4.576  13.011   0.630
  460   1HB   PHE  61          2HB       PHE  61  -4.493  15.026   2.300
  461   2HB   PHE  61          1HB       PHE  61  -4.617  13.795   3.554
  462    HD1  PHE  61           1HD      PHE  61  -2.624  12.890   4.387
  463    HD2  PHE  61           2HD      PHE  61  -2.700  14.478   0.395
  464    HE1  PHE  61           1HE      PHE  61  -0.191  12.455   4.167
  465    HE2  PHE  61           2HE      PHE  61  -0.270  14.038   0.174
  466    HZ   PHE  61           HZ       PHE  61   0.985  13.028   2.060
  467    H    ARG  62           H        ARG  62  -6.410  12.495   3.628
  468    HA   ARG  62           HA       ARG  62  -5.410   9.912   4.267
  469   1HB   ARG  62          2HB       ARG  62  -8.097  11.200   4.836
  470   2HB   ARG  62          1HB       ARG  62  -7.529   9.733   5.614
  471   1HG   ARG  62          2HG       ARG  62  -6.370  10.957   7.143
  472   2HG   ARG  62          1HG       ARG  62  -5.431  11.705   5.855
  473   1HD   ARG  62          2HD       ARG  62  -7.127  13.433   5.564
  474   2HD   ARG  62          1HD       ARG  62  -8.169  12.636   6.734
  475    HE   ARG  62           HE       ARG  62  -6.913  13.656   8.440
  476   1HH1  ARG  62          1HH2      ARG  62  -5.152  13.484   5.480
  477   2HH1  ARG  62          2HH2      ARG  62  -3.780  14.347   6.092
  478   1HH2  ARG  62          1HH1      ARG  62  -5.134  14.782   9.255
  479   2HH2  ARG  62          2HH1      ARG  62  -3.771  15.084   8.229
  480    H    HIS  63           H        HIS  63  -7.894  10.988   2.037
  481    HA   HIS  63           HA       HIS  63  -9.188   8.462   1.570
  482   1HB   HIS  63          2HB       HIS  63  -9.757  10.929   0.752
  483   2HB   HIS  63          1HB       HIS  63  -8.779  10.481  -0.643
  484    HD1  HIS  63           1HD      HIS  63 -10.920   7.998   1.192
  485    HD2  HIS  63           2HD      HIS  63 -11.003  10.139  -2.381
  486    HE1  HIS  63           1HE      HIS  63 -12.792   7.020  -0.174
  487    H    GLY  64           H        GLY  64  -6.309   9.980   0.107
  488   1HA   GLY  64          2HA       GLY  64  -5.913   7.948  -1.860
  489   2HA   GLY  64          1HA       GLY  64  -4.644   8.983  -1.212
  490    H    PHE  65           H        PHE  65  -5.056   8.143   1.571
  491    HA   PHE  65           HA       PHE  65  -3.513   5.640   1.447
  492   1HB   PHE  65          2HB       PHE  65  -4.418   7.430   3.714
  493   2HB   PHE  65          1HB       PHE  65  -3.632   5.876   4.004
  494    HD1  PHE  65           1HD      PHE  65  -3.135   9.334   3.169
  495    HD2  PHE  65           2HD      PHE  65  -1.357   5.440   2.898
  496    HE1  PHE  65           1HE      PHE  65  -0.925  10.369   2.750
  497    HE2  PHE  65           2HE      PHE  65   0.856   6.480   2.473
  498    HZ   PHE  65           HZ       PHE  65   1.066   8.956   2.392
  499    H    ASP  66           H        ASP  66  -6.734   6.725   2.435
  500    HA   ASP  66           HA       ASP  66  -7.576   4.130   3.428
  501   1HB   ASP  66          2HB       ASP  66  -8.629   6.438   3.935
  502   2HB   ASP  66          1HB       ASP  66  -9.419   6.282   2.367
  503    H    ILE  67           H        ILE  67  -8.087   5.931   0.384
  504    HA   ILE  67           HA       ILE  67  -9.635   3.993  -0.964
  505    HB   ILE  67           HB       ILE  67  -7.587   6.002  -1.964
  506   1HG1  ILE  67          2HG1      ILE  67  -9.711   6.908  -1.046
  507   2HG1  ILE  67          1HG1      ILE  67  -9.591   7.192  -2.779
  508   1HG2  ILE  67          1HG2      ILE  67  -9.243   4.035  -3.550
  509   2HG2  ILE  67          2HG2      ILE  67  -7.511   4.347  -3.655
  510   3HG2  ILE  67          3HG2      ILE  67  -8.660   5.546  -4.247
  511   1HD1  ILE  67          1HD1      ILE  67 -11.456   5.430  -1.263
  512   2HD1  ILE  67          2HD1      ILE  67 -10.920   4.831  -2.829
  513   3HD1  ILE  67          3HD1      ILE  67 -11.742   6.383  -2.715
  514    H    LEU  68           H        LEU  68  -6.102   4.312  -0.721
  515    HA   LEU  68           HA       LEU  68  -5.373   2.102  -2.349
  516   1HB   LEU  68          2HB       LEU  68  -3.644   3.587  -1.668
  517   2HB   LEU  68          1HB       LEU  68  -4.085   3.456   0.029
  518    HG   LEU  68           HG       LEU  68  -3.245   1.164   0.116
  519   1HD1  LEU  68          1HD1      LEU  68  -1.929   0.413  -2.028
  520   2HD1  LEU  68          2HD1      LEU  68  -2.984   1.551  -2.865
  521   3HD1  LEU  68          3HD1      LEU  68  -3.675   0.190  -1.984
  522   1HD2  LEU  68          1HD2      LEU  68  -1.329   3.072  -1.256
  523   2HD2  LEU  68          2HD2      LEU  68  -0.851   1.631  -0.358
  524   3HD2  LEU  68          3HD2      LEU  68  -1.635   2.971   0.478
  525    H    VAL  69           H        VAL  69  -6.120   2.253   1.135
  526    HA   VAL  69           HA       VAL  69  -5.619  -0.473   1.729
  527    HB   VAL  69           HB       VAL  69  -7.494   1.575   2.921
  528   1HG1  VAL  69          1HG1      VAL  69  -7.441  -0.073   4.915
  529   2HG1  VAL  69          2HG1      VAL  69  -6.987  -1.274   3.708
  530   3HG1  VAL  69          3HG1      VAL  69  -8.518  -0.420   3.565
  531   1HG2  VAL  69          1HG2      VAL  69  -5.810   1.835   4.596
  532   2HG2  VAL  69          2HG2      VAL  69  -4.942   1.813   3.061
  533   3HG2  VAL  69          3HG2      VAL  69  -4.971   0.373   4.079
  534    H    GLY  70           H        GLY  70  -8.075   0.986  -0.167
  535   1HA   GLY  70          2HA       GLY  70 -10.090  -1.070   0.309
  536   2HA   GLY  70          1HA       GLY  70 -10.156   0.169  -0.934
  537    H    GLN  71           H        GLN  71  -7.841  -0.345  -2.417
  538    HA   GLN  71           HA       GLN  71  -8.697  -2.716  -3.847
  539   1HB   GLN  71          2HB       GLN  71  -7.267  -2.036  -5.526
  540   2HB   GLN  71          1HB       GLN  71  -7.390  -0.516  -4.654
  541   1HG   GLN  71          2HG       GLN  71  -5.089  -0.694  -4.874
  542   2HG   GLN  71          1HG       GLN  71  -5.302  -1.467  -3.316
  543   1HE2  GLN  71          1HE2      GLN  71  -6.560  -3.897  -4.671
  544   2HE2  GLN  71          2HE2      GLN  71  -5.248  -4.735  -5.342
  545    H    ILE  72           H        ILE  72  -6.359  -2.019  -1.387
  546    HA   ILE  72           HA       ILE  72  -5.029  -4.610  -1.578
  547    HB   ILE  72           HB       ILE  72  -5.003  -2.293   0.356
  548   1HG1  ILE  72          2HG1      ILE  72  -2.737  -3.963  -0.742
  549   2HG1  ILE  72          1HG1      ILE  72  -3.435  -2.608  -1.634
  550   1HG2  ILE  72          1HG2      ILE  72  -5.199  -4.068   1.946
  551   2HG2  ILE  72          2HG2      ILE  72  -3.479  -3.714   1.846
  552   3HG2  ILE  72          3HG2      ILE  72  -4.141  -5.122   1.015
  553   1HD1  ILE  72          1HD1      ILE  72  -2.961  -1.143   0.349
  554   2HD1  ILE  72          2HD1      ILE  72  -1.505  -1.799  -0.396
  555   3HD1  ILE  72          3HD1      ILE  72  -2.125  -2.501   1.098
  556    H    ASP  73           H        ASP  73  -7.793  -3.197   0.111
  557    HA   ASP  73           HA       ASP  73  -8.248  -5.364   1.940
  558   1HB   ASP  73          2HB       ASP  73  -9.394  -3.261   2.282
  559   2HB   ASP  73          1HB       ASP  73 -10.183  -3.381   0.706
  560    H    ASP  74           H        ASP  74  -9.842  -4.677  -1.196
  561    HA   ASP  74           HA       ASP  74 -11.268  -7.149  -1.314
  562   1HB   ASP  74          2HB       ASP  74 -11.644  -5.072  -2.750
  563   2HB   ASP  74          1HB       ASP  74 -10.256  -5.589  -3.707
  564    H    ALA  75           H        ALA  75  -7.941  -6.319  -2.149
  565    HA   ALA  75           HA       ALA  75  -7.496  -8.767  -3.638
  566   1HB   ALA  75          1HB       ALA  75  -5.959  -6.988  -4.099
  567   2HB   ALA  75          2HB       ALA  75  -5.031  -8.179  -3.190
  568   3HB   ALA  75          3HB       ALA  75  -5.633  -6.731  -2.386
  569    H    LEU  76           H        LEU  76  -7.370  -7.795  -0.267
  570    HA   LEU  76           HA       LEU  76  -5.875  -9.947   0.780
  571   1HB   LEU  76          2HB       LEU  76  -7.300  -7.779   1.797
  572   2HB   LEU  76          1HB       LEU  76  -8.288  -9.125   2.326
  573    HG   LEU  76           HG       LEU  76  -5.736 -10.011   2.988
  574   1HD1  LEU  76          1HD1      LEU  76  -5.063  -7.536   2.369
  575   2HD1  LEU  76          2HD1      LEU  76  -4.392  -8.291   3.811
  576   3HD1  LEU  76          3HD1      LEU  76  -5.739  -7.161   3.952
  577   1HD2  LEU  76          1HD2      LEU  76  -6.358  -9.315   5.334
  578   2HD2  LEU  76          2HD2      LEU  76  -7.616 -10.213   4.482
  579   3HD2  LEU  76          3HD2      LEU  76  -7.740  -8.460   4.646
  580    H    LYS  77           H        LYS  77  -9.149  -9.604  -0.361
  581    HA   LYS  77           HA       LYS  77 -10.191 -12.120   0.496
  582   1HB   LYS  77          2HB       LYS  77 -11.434 -10.016  -0.328
  583   2HB   LYS  77          1HB       LYS  77 -11.032 -10.565  -1.958
  584   1HG   LYS  77          2HG       LYS  77 -13.116 -11.569  -1.634
  585   2HG   LYS  77          1HG       LYS  77 -12.007 -12.848  -1.144
  586   1HD   LYS  77          2HD       LYS  77 -12.297 -11.559   1.251
  587   2HD   LYS  77          1HD       LYS  77 -13.861 -11.199   0.524
  588   1HE   LYS  77          2HE       LYS  77 -14.026 -13.714   0.016
  589   2HE   LYS  77          1HE       LYS  77 -12.648 -13.912   1.107
  590   1HZ   LYS  77          1HZ       LYS  77 -15.329 -12.811   1.740
  591   2HZ   LYS  77          2HZ       LYS  77 -13.995 -12.636   2.777
  592   3HZ   LYS  77          3HZ       LYS  77 -14.585 -14.184   2.401
  593    H    LEU  78           H        LEU  78  -8.800 -11.003  -2.600
  594    HA   LEU  78           HA       LEU  78  -9.147 -13.429  -4.016
  595   1HB   LEU  78          2HB       LEU  78  -7.398 -11.017  -4.260
  596   2HB   LEU  78          1HB       LEU  78  -6.832 -12.453  -5.129
  597    HG   LEU  78           HG       LEU  78  -9.043 -12.640  -6.237
  598   1HD1  LEU  78          1HD1      LEU  78 -10.535 -10.547  -6.020
  599   2HD1  LEU  78          2HD1      LEU  78  -9.621 -10.196  -4.553
  600   3HD1  LEU  78          3HD1      LEU  78 -10.556 -11.686  -4.673
  601   1HD2  LEU  78          1HD2      LEU  78  -8.665 -10.909  -7.808
  602   2HD2  LEU  78          2HD2      LEU  78  -7.080 -11.141  -7.073
  603   3HD2  LEU  78          3HD2      LEU  78  -8.091  -9.787  -6.575
  604    H    ALA  79           H        ALA  79  -6.695 -12.399  -1.730
  605    HA   ALA  79           HA       ALA  79  -4.888 -14.598  -2.089
  606   1HB   ALA  79          1HB       ALA  79  -5.438 -13.183   0.533
  607   2HB   ALA  79          2HB       ALA  79  -4.529 -12.418  -0.765
  608   3HB   ALA  79          3HB       ALA  79  -3.924 -13.892  -0.017
  609    H    ASN  80           H        ASN  80  -7.560 -14.052   0.220
  610    HA   ASN  80           HA       ASN  80  -7.373 -16.725   1.305
  611   1HB   ASN  80          2HB       ASN  80  -8.397 -14.453   2.294
  612   2HB   ASN  80          1HB       ASN  80  -9.890 -15.136   1.646
  613   1HD2  ASN  80          1HD2      ASN  80  -7.002 -16.362   3.421
  614   2HD2  ASN  80          2HD2      ASN  80  -7.875 -17.335   4.469
  615    H    GLU  81           H        GLU  81  -8.826 -15.537  -1.570
  616    HA   GLU  81           HA       GLU  81 -10.877 -17.692  -1.594
  617   1HB   GLU  81          2HB       GLU  81 -10.277 -15.350  -3.395
  618   2HB   GLU  81          1HB       GLU  81 -11.362 -16.637  -3.910
  619   1HG   GLU  81          2HG       GLU  81 -11.726 -15.244  -1.253
  620   2HG   GLU  81          1HG       GLU  81 -12.425 -14.592  -2.736
  621    H    GLY  82           H        GLY  82  -7.637 -17.318  -2.498
  622   1HA   GLY  82          2HA       GLY  82  -6.357 -19.182  -3.354
  623   2HA   GLY  82          1HA       GLY  82  -7.811 -19.819  -4.110
  624    H    LYS  83           H        LYS  83  -7.417 -16.454  -4.597
  625    HA   LYS  83           HA       LYS  83  -6.638 -16.982  -7.429
  626   1HB   LYS  83          2HB       LYS  83  -7.384 -14.257  -6.406
  627   2HB   LYS  83          1HB       LYS  83  -7.623 -14.947  -7.999
  628   1HG   LYS  83          2HG       LYS  83  -9.139 -15.640  -5.494
  629   2HG   LYS  83          1HG       LYS  83  -9.760 -14.811  -6.911
  630   1HD   LYS  83          2HD       LYS  83  -9.042 -16.927  -8.226
  631   2HD   LYS  83          1HD       LYS  83  -8.957 -17.708  -6.648
  632   1HE   LYS  83          2HE       LYS  83 -11.165 -18.108  -7.545
  633   2HE   LYS  83          1HE       LYS  83 -11.324 -16.945  -6.230
  634   1HZ   LYS  83          1HZ       LYS  83 -12.587 -16.196  -8.104
  635   2HZ   LYS  83          2HZ       LYS  83 -11.241 -16.336  -9.133
  636   3HZ   LYS  83          3HZ       LYS  83 -11.257 -15.162  -7.903
  637    H    VAL  84           H        VAL  84  -4.461 -17.444  -6.828
  638    HA   VAL  84           HA       VAL  84  -2.755 -15.480  -5.544
  639    HB   VAL  84           HB       VAL  84  -1.996 -17.948  -7.138
  640   1HG1  VAL  84          1HG1      VAL  84   0.107 -17.770  -5.810
  641   2HG1  VAL  84          2HG1      VAL  84  -0.460 -16.226  -5.174
  642   3HG1  VAL  84          3HG1      VAL  84  -0.128 -16.401  -6.896
  643   1HG2  VAL  84          1HG2      VAL  84  -3.336 -18.690  -5.326
  644   2HG2  VAL  84          2HG2      VAL  84  -2.664 -17.483  -4.233
  645   3HG2  VAL  84          3HG2      VAL  84  -1.678 -18.850  -4.749
  646    H    LYS  85           H        LYS  85  -2.642 -16.811  -8.884
  647    HA   LYS  85           HA       LYS  85  -0.849 -14.917  -9.920
  648   1HB   LYS  85          2HB       LYS  85  -3.044 -16.590 -11.070
  649   2HB   LYS  85          1HB       LYS  85  -2.463 -15.270 -12.081
  650   1HG   LYS  85          2HG       LYS  85  -0.304 -16.154 -12.249
  651   2HG   LYS  85          1HG       LYS  85  -0.457 -17.098 -10.768
  652   1HD   LYS  85          2HD       LYS  85  -2.256 -17.745 -13.097
  653   2HD   LYS  85          1HD       LYS  85  -0.581 -18.291 -13.136
  654   1HE   LYS  85          2HE       LYS  85  -2.570 -18.877 -10.920
  655   2HE   LYS  85          1HE       LYS  85  -2.038 -20.017 -12.153
  656   1HZ   LYS  85          1HZ       LYS  85   0.300 -19.414 -11.297
  657   2HZ   LYS  85          2HZ       LYS  85  -0.653 -20.493 -10.396
  658   3HZ   LYS  85          3HZ       LYS  85  -0.513 -18.870  -9.913
  659    H    GLU  86           H        GLU  86  -4.296 -14.603  -9.269
  660    HA   GLU  86           HA       GLU  86  -4.606 -12.020 -10.524
  661   1HB   GLU  86          2HB       GLU  86  -6.189 -13.183  -8.201
  662   2HB   GLU  86          1HB       GLU  86  -6.673 -11.847  -9.244
  663   1HG   GLU  86          2HG       GLU  86  -7.805 -13.831 -10.043
  664   2HG   GLU  86          1HG       GLU  86  -6.571 -13.389 -11.219
  665    H    ALA  87           H        ALA  87  -3.961 -13.137  -7.198
  666    HA   ALA  87           HA       ALA  87  -3.766 -10.476  -6.109
  667   1HB   ALA  87          1HB       ALA  87  -2.905 -11.511  -4.137
  668   2HB   ALA  87          2HB       ALA  87  -2.312 -12.903  -5.044
  669   3HB   ALA  87          3HB       ALA  87  -4.045 -12.674  -4.814
  670    H    GLN  88           H        GLN  88  -1.356 -12.790  -7.260
  671    HA   GLN  88           HA       GLN  88   0.960 -11.219  -6.811
  672   1HB   GLN  88          2HB       GLN  88   1.772 -13.253  -7.428
  673   2HB   GLN  88          1HB       GLN  88   0.212 -13.723  -8.044
  674   1HG   GLN  88          2HG       GLN  88   0.704 -12.909 -10.228
  675   2HG   GLN  88          1HG       GLN  88   2.125 -12.055  -9.650
  676   1HE2  GLN  88          1HE2      GLN  88   1.132 -15.428  -8.884
  677   2HE2  GLN  88          2HE2      GLN  88   2.514 -16.138  -9.521
  678    H    ALA  89           H        ALA  89  -1.017 -11.580  -9.780
  679    HA   ALA  89           HA       ALA  89   0.386  -9.624 -11.304
  680   1HB   ALA  89          1HB       ALA  89  -1.566  -9.548 -12.734
  681   2HB   ALA  89          2HB       ALA  89  -2.590 -10.193 -11.452
  682   3HB   ALA  89          3HB       ALA  89  -1.363 -11.217 -12.200
  683    H    ALA  90           H        ALA  90  -2.161  -9.353  -8.868
  684    HA   ALA  90           HA       ALA  90  -2.711  -6.550  -9.295
  685   1HB   ALA  90          1HB       ALA  90  -2.908  -8.016  -6.648
  686   2HB   ALA  90          2HB       ALA  90  -4.111  -8.205  -7.924
  687   3HB   ALA  90          3HB       ALA  90  -3.849  -6.625  -7.186
  688    H    ALA  91           H        ALA  91  -0.211  -8.351  -7.672
  689    HA   ALA  91           HA       ALA  91   0.853  -6.351  -5.963
  690   1HB   ALA  91          1HB       ALA  91   1.606  -8.813  -6.231
  691   2HB   ALA  91          2HB       ALA  91   2.865  -7.612  -5.947
  692   3HB   ALA  91          3HB       ALA  91   2.589  -8.230  -7.575
  693    H    GLU  92           H        GLU  92   1.524  -7.061  -9.395
  694    HA   GLU  92           HA       GLU  92   3.311  -4.845  -9.772
  695   1HB   GLU  92          2HB       GLU  92   1.759  -6.689 -11.559
  696   2HB   GLU  92          1HB       GLU  92   2.390  -5.205 -12.273
  697   1HG   GLU  92          2HG       GLU  92   4.625  -5.798 -11.871
  698   2HG   GLU  92          1HG       GLU  92   4.202  -6.947 -10.603
  699    H    GLN  93           H        GLN  93  -0.159  -5.092  -9.538
  700    HA   GLN  93           HA       GLN  93  -0.706  -2.562 -10.867
  701   1HB   GLN  93          2HB       GLN  93  -2.404  -4.461 -10.383
  702   2HB   GLN  93          1HB       GLN  93  -2.424  -3.872  -8.728
  703   1HG   GLN  93          2HG       GLN  93  -2.834  -1.762 -10.798
  704   2HG   GLN  93          1HG       GLN  93  -4.111  -2.966 -10.698
  705   1HE2  GLN  93          1HE2      GLN  93  -2.143  -1.725  -7.944
  706   2HE2  GLN  93          2HE2      GLN  93  -3.455  -1.034  -7.117
  707    H    LEU  94           H        LEU  94  -0.112  -3.730  -7.593
  708    HA   LEU  94           HA       LEU  94  -0.499  -1.231  -6.268
  709   1HB   LEU  94          2HB       LEU  94   0.935  -3.775  -5.609
  710   2HB   LEU  94          1HB       LEU  94   1.283  -2.356  -4.631
  711    HG   LEU  94           HG       LEU  94  -1.388  -2.189  -4.501
  712   1HD1  LEU  94          1HD1      LEU  94  -1.866  -4.020  -6.032
  713   2HD1  LEU  94          2HD1      LEU  94  -2.382  -4.474  -4.407
  714   3HD1  LEU  94          3HD1      LEU  94  -0.886  -5.121  -5.066
  715   1HD2  LEU  94          1HD2      LEU  94  -1.335  -3.292  -2.408
  716   2HD2  LEU  94          2HD2      LEU  94   0.283  -2.649  -2.615
  717   3HD2  LEU  94          3HD2      LEU  94  -0.033  -4.363  -2.901
  718    H    LYS  95           H        LYS  95   2.414  -2.853  -7.500
  719    HA   LYS  95           HA       LYS  95   4.322  -0.875  -6.948
  720   1HB   LYS  95          2HB       LYS  95   4.082  -2.622  -9.423
  721   2HB   LYS  95          1HB       LYS  95   5.538  -1.749  -8.932
  722   1HG   LYS  95          2HG       LYS  95   5.019  -3.083  -6.613
  723   2HG   LYS  95          1HG       LYS  95   4.311  -4.214  -7.758
  724   1HD   LYS  95          2HD       LYS  95   6.532  -4.947  -7.614
  725   2HD   LYS  95          1HD       LYS  95   6.548  -3.951  -9.067
  726   1HE   LYS  95          2HE       LYS  95   8.288  -2.829  -8.085
  727   2HE   LYS  95          1HE       LYS  95   7.092  -2.114  -7.002
  728   1HZ   LYS  95          1HZ       LYS  95   8.205  -4.779  -6.429
  729   2HZ   LYS  95          2HZ       LYS  95   7.536  -3.640  -5.361
  730   3HZ   LYS  95          3HZ       LYS  95   9.081  -3.385  -6.020
  731    H    THR  96           H        THR  96   2.050  -1.084  -9.685
  732    HA   THR  96           HA       THR  96   2.985   1.361 -10.936
  733    HB   THR  96           HB       THR  96   0.209   0.193 -11.242
  734    HG1  THR  96           1HG      THR  96   1.985  -1.388 -11.375
  735   1HG2  THR  96          1HG2      THR  96   0.975   2.383 -12.348
  736   2HG2  THR  96          2HG2      THR  96   0.291   1.153 -13.411
  737   3HG2  THR  96          3HG2      THR  96   2.039   1.377 -13.332
  738    H    THR  97           H        THR  97   0.343   0.566  -8.672
  739    HA   THR  97           HA       THR  97  -0.811   3.175  -8.617
  740    HB   THR  97           HB       THR  97  -0.900   0.771  -6.912
  741    HG1  THR  97           1HG      THR  97  -2.919   0.895  -7.474
  742   1HG2  THR  97          1HG2      THR  97  -0.433   2.268  -5.108
  743   2HG2  THR  97          2HG2      THR  97  -2.184   2.054  -5.128
  744   3HG2  THR  97          3HG2      THR  97  -1.468   3.518  -5.802
  745    H    ILE  98           H        ILE  98   1.861   1.678  -6.807
  746    HA   ILE  98           HA       ILE  98   2.388   3.770  -4.994
  747    HB   ILE  98           HB       ILE  98   4.308   1.922  -6.418
  748   1HG1  ILE  98          2HG1      ILE  98   3.249   1.940  -3.568
  749   2HG1  ILE  98          1HG1      ILE  98   2.616   0.916  -4.849
  750   1HG2  ILE  98          1HG2      ILE  98   4.766   3.943  -4.207
  751   2HG2  ILE  98          2HG2      ILE  98   5.630   3.804  -5.738
  752   3HG2  ILE  98          3HG2      ILE  98   5.863   2.591  -4.485
  753   1HD1  ILE  98          1HD1      ILE  98   5.174   0.202  -5.079
  754   2HD1  ILE  98          2HD1      ILE  98   4.129  -0.544  -3.872
  755   3HD1  ILE  98          3HD1      ILE  98   5.231   0.749  -3.403
  756    H    ARG  99           H        ARG  99   3.105   3.413  -8.413
  757    HA   ARG  99           HA       ARG  99   4.953   5.522  -8.680
  758   1HB   ARG  99          2HB       ARG  99   4.063   3.743 -10.420
  759   2HB   ARG  99          1HB       ARG  99   2.916   5.010 -10.838
  760   1HG   ARG  99          2HG       ARG  99   4.664   5.528 -12.295
  761   2HG   ARG  99          1HG       ARG  99   5.088   6.538 -10.912
  762   1HD   ARG  99          2HD       ARG  99   6.664   4.851 -10.115
  763   2HD   ARG  99          1HD       ARG  99   6.178   3.743 -11.398
  764    HE   ARG  99           HE       ARG  99   7.940   6.070 -11.700
  765   1HH1  ARG  99          1HH2      ARG  99   5.834   3.764 -13.167
  766   2HH1  ARG  99          2HH2      ARG  99   6.528   3.940 -14.744
  767   1HH2  ARG  99          1HH1      ARG  99   8.853   6.311 -13.752
  768   2HH2  ARG  99          2HH1      ARG  99   8.235   5.379 -15.075
  769    H    ALA 100           H        ALA 100   1.387   5.603  -9.075
  770    HA   ALA 100           HA       ALA 100   1.247   8.440  -9.500
  771   1HB   ALA 100          1HB       ALA 100  -1.146   8.198  -8.893
  772   2HB   ALA 100          2HB       ALA 100  -0.825   6.565  -8.310
  773   3HB   ALA 100          3HB       ALA 100  -0.641   6.941 -10.022
  774    H    TYR 101           H        TYR 101   1.302   6.444  -6.596
  775    HA   TYR 101           HA       TYR 101   0.670   8.581  -4.765
  776   1HB   TYR 101          2HB       TYR 101   0.427   6.405  -3.888
  777   2HB   TYR 101          1HB       TYR 101   1.958   5.888  -4.537
  778    HD1  TYR 101           1HD      TYR 101   4.109   6.851  -3.573
  779    HD2  TYR 101           2HD      TYR 101   0.286   7.191  -1.647
  780    HE1  TYR 101           1HE      TYR 101   5.232   7.301  -1.426
  781    HE2  TYR 101           2HE      TYR 101   1.421   7.641   0.508
  782    HH   TYR 101           HH       TYR 101   4.523   6.967   1.131
  783    H    ASN 102           H        ASN 102   3.533   7.536  -6.460
  784    HA   ASN 102           HA       ASN 102   5.407   8.861  -4.763
  785   1HB   ASN 102          2HB       ASN 102   6.713   7.554  -6.053
  786   2HB   ASN 102          1HB       ASN 102   5.528   7.494  -7.348
  787   1HD2  ASN 102          1HD2      ASN 102   7.184  10.421  -6.030
  788   2HD2  ASN 102          2HD2      ASN 102   7.961  10.817  -7.489
  789    H    GLN 103           H        GLN 103   3.449  10.097  -7.500
  790    HA   GLN 103           HA       GLN 103   4.932  12.589  -7.577
  791   1HB   GLN 103          2HB       GLN 103   3.214  13.475  -8.947
  792   2HB   GLN 103          1HB       GLN 103   3.187  11.758  -9.331
  793   1HG   GLN 103          2HG       GLN 103   0.912  12.262  -9.011
  794   2HG   GLN 103          1HG       GLN 103   1.397  11.602  -7.458
  795   1HE2  GLN 103          1HE2      GLN 103   1.056  12.846  -5.662
  796   2HE2  GLN 103          2HE2      GLN 103   0.660  14.496  -5.674
  797    H    LYS 104           H        LYS 104   2.698  11.076  -5.518
  798    HA   LYS 104           HA       LYS 104   1.961  13.510  -4.039
  799   1HB   LYS 104          2HB       LYS 104   0.265  12.133  -3.409
  800   2HB   LYS 104          1HB       LYS 104   1.070  10.758  -4.129
  801   1HG   LYS 104          2HG       LYS 104   2.317  10.355  -2.084
  802   2HG   LYS 104          1HG       LYS 104   1.676  11.829  -1.372
  803   1HD   LYS 104          2HD       LYS 104  -0.206   9.700  -2.359
  804   2HD   LYS 104          1HD       LYS 104   0.553   9.566  -0.784
  805   1HE   LYS 104          2HE       LYS 104  -0.776  11.186   0.131
  806   2HE   LYS 104          1HE       LYS 104  -0.630  12.230  -1.281
  807   1HZ   LYS 104          1HZ       LYS 104  -2.165  10.642  -2.429
  808   2HZ   LYS 104          2HZ       LYS 104  -2.863  11.539  -1.167
  809   3HZ   LYS 104          3HZ       LYS 104  -2.439   9.913  -0.923
  810    H    TYR 105           H        TYR 105   4.370  10.918  -3.858
  811    HA   TYR 105           HA       TYR 105   5.452  12.088  -1.362
  812   1HB   TYR 105          2HB       TYR 105   5.879   9.912  -0.888
  813   2HB   TYR 105          1HB       TYR 105   5.432   9.437  -2.516
  814    HD1  TYR 105           1HD      TYR 105   7.257  10.134  -4.342
  815    HD2  TYR 105           2HD      TYR 105   8.068   9.410  -0.203
  816    HE1  TYR 105           1HE      TYR 105   9.624   9.628  -4.906
  817    HE2  TYR 105           2HE      TYR 105  10.437   8.916  -0.748
  818    HH   TYR 105           HH       TYR 105  11.741   9.480  -3.942
  819    H    GLY 106           H        GLY 106   5.617  12.822  -4.498
  820   1HA   GLY 106          2HA       GLY 106   8.527  13.172  -4.740
  821   2HA   GLY 106          1HA       GLY 106   7.318  13.680  -5.920