*HEADER    HYDROLASE                               29-NOV-11   2RS6              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DSRBD FROM RNA HELICASE A        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ATP-DEPENDENT RNA HELICASE A;                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 4-89;                                         
*COMPND   5 SYNONYM: DEAH BOX PROTEIN 9, MHEL-5, NUCLEAR DNA HELICASE II, NDH II;
*COMPND   6 EC: 3.6.4.13;                                                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 ORGANISM_TAXID: 10090;                                               
*SOURCE   5 GENE: DHX9, DDX9;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: CELL-FREE PROTEIN SYNTHESIS                       
*KEYWDS    PROTEIN, DOUBLE-STRANDED RNA BINDING DOMAIN, DSRBD, DSRM, STRUCTURAL  
*KEYWDS   2 GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND         
*KEYWDS   3 FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS            
*KEYWDS   4 INITIATIVE, RSGI, HYDROLASE                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.NAGATA, Y.MUTO, K.TSUDA, M.INOUE, T.KIGAWA, T.TERADA, M.SHIROUZU,   
*AUTHOR   2 S.YOKOYAMA                                                           
*REVDAT   1   14-MAR-12 2RS6    0                                                


#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=12,17,15,16, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=10,19,13,14, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=23,28,26,27, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=21,30,24,25, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 5 atoms:  CA OG HB2 HB3
 &rst iat=41,46,44,45, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=39,48,42,43, &end
#
#  chirality for residue 6 atoms:  CA OG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=50,59,53,54, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=61,66,64,65, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=72,81,79,80, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=91,97,95,96, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=97,103,101,102, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=94,100,98,99, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=87,107,90,91, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=111,116,114,115, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=109,121,112,113, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=125,130,128,129, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=123,141,126,127, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=145,150,148,149, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=147,152,156,151, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=143,160,146,147, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=164,169,167,168, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=162,181,165,166, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=183,191,186,187, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=193,215,196,197, &end
#
#  chirality for residue 16 atoms:  CA SG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=217,226,220,221, &end
#
#  chirality for residue 17 atoms:  N C HA2 HA3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=237,242,240,241, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=239,245,243,244, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=245,251,249,250, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=242,248,246,247, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=235,255,238,239, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=259,264,262,263, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=261,267,265,266, &end
#
#  chirality for residue 19 atoms:  CG NE HD2 HD3
 &rst iat=264,270,268,269, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=257,279,260,261, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=283,288,286,287, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=285,291,289,290, &end
#
#  chirality for residue 20 atoms:  CD NZ HE2 HE3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 20 atoms:  CG CE HD2 HD3
 &rst iat=288,294,292,293, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=281,301,284,285, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=305,310,308,309, &end
#
#  chirality for residue 21 atoms:  CB SD HG2 HG3
 &rst iat=307,313,311,312, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=303,318,306,307, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=322,326,330,325, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=320,332,323,324, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=344,338,342,343, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=341,335,339,340, &end
#
#  chirality for residue 23 atoms:  CG N HD2 HD3
 &rst iat=338,334,336,337, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=334,346,345,341, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=348,356,351,352, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=360,365,363,364, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=358,377,361,362, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=381,386,384,385, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=383,389,387,388, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=379,392,382,383, &end
#
#  chirality for residue 27 atoms:  CA CG2 CG1 HB
 &rst iat=396,400,404,399, &end
#
#  chirality for residue 27 atoms:  CB CD1 HG12 HG13
 &rst iat=398,407,405,406, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=394,411,397,398, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=415,420,418,419, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=417,423,421,422, &end
#
#  chirality for residue 28 atoms:  CG NE HD2 HD3
 &rst iat=420,426,424,425, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=413,435,416,417, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=437,445,440,441, &end
#
#  chirality for residue 30 atoms:  CA CG1 CG2 HB
 &rst iat=449,453,457,452, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=447,461,450,451, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=472,477,475,476, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=470,482,473,474, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=488,494,492,493, &end
#
#  chirality for residue 33 atoms:  CD NZ HE2 HE3
 &rst iat=494,500,498,499, &end
#
#  chirality for residue 33 atoms:  CG CE HD2 HD3
 &rst iat=491,497,495,496, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=484,504,487,488, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=506,518,509,510, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=522,527,525,526, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=524,530,528,529, &end
#
#  chirality for residue 35 atoms:  CG NE HD2 HD3
 &rst iat=527,533,531,532, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=520,542,523,524, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=546,551,549,550, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=548,554,552,553, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=544,559,547,548, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=563,568,566,567, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=565,571,569,570, &end
#
#  chirality for residue 37 atoms:  CD NZ HE2 HE3
 &rst iat=571,577,575,576, &end
#
#  chirality for residue 37 atoms:  CG CE HD2 HD3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=561,581,564,565, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=585,590,588,589, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=583,601,586,587, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=605,610,608,609, &end
#
#  chirality for residue 39 atoms:  CB SD HG2 HG3
 &rst iat=607,613,611,612, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=603,618,606,607, &end
#
#  chirality for residue 40 atoms:  CA SG HB2 HB3
 &rst iat=622,627,625,626, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=620,629,623,624, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=633,638,636,637, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=635,641,639,640, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=631,644,634,635, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=648,652,656,651, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=646,660,649,650, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=664,669,667,668, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=666,672,670,671, &end
#
#  chirality for residue 43 atoms:  CG NE HD2 HD3
 &rst iat=669,675,673,674, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=662,684,665,666, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=688,692,696,691, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=686,700,689,690, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=706,712,710,711, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=702,715,705,706, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=717,722,720,721, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=726,731,729,730, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=724,742,727,728, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=746,751,749,750, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=744,756,747,748, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=760,765,763,764, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=758,777,761,762, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=779,787,782,783, &end
#
#  chirality for residue 51 atoms:  N C HA2 HA3
 &rst iat=789,794,792,793, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=798,803,801,802, &end
#
#  chirality for residue 52 atoms:  CB SD HG2 HG3
 &rst iat=800,806,804,805, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=796,811,799,800, &end
#
#  chirality for residue 53 atoms:  N C HA2 HA3
 &rst iat=813,818,816,817, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=822,827,825,826, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=820,832,823,824, &end
#
#  chirality for residue 55 atoms:  CA OG HB2 HB3
 &rst iat=836,841,839,840, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=834,843,837,838, &end
#
#  chirality for residue 56 atoms:  CA CG2 OG1 HB
 &rst iat=847,851,855,850, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=845,857,848,849, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=861,866,864,865, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=859,871,862,863, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=875,880,878,879, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=877,883,881,882, &end
#
#  chirality for residue 58 atoms:  CD NZ HE2 HE3
 &rst iat=883,889,887,888, &end
#
#  chirality for residue 58 atoms:  CG CE HD2 HD3
 &rst iat=880,886,884,885, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=873,893,876,877, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=897,902,900,901, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=899,905,903,904, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=905,911,909,910, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=902,908,906,907, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=895,915,898,899, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=919,924,922,923, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=917,927,920,921, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=929,937,932,933, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=941,946,944,945, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=943,949,947,948, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=939,954,942,943, &end
#
#  chirality for residue 63 atoms:  CA OG HB2 HB3
 &rst iat=958,963,961,962, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=956,965,959,960, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=969,974,972,973, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=967,979,970,971, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=981,989,984,985, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=991,999,994,995, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1003,1008,1006,1007, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1005,1011,1009,1010, &end
#
#  chirality for residue 67 atoms:  CG NE HD2 HD3
 &rst iat=1008,1014,1012,1013, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1001,1023,1004,1005, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1027,1032,1030,1031, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1025,1035,1028,1029, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1039,1044,1042,1043, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1037,1055,1040,1041, &end
#
#  chirality for residue 70 atoms:  CA CG1 CG2 HB
 &rst iat=1059,1063,1067,1062, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1057,1071,1060,1061, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1075,1080,1078,1079, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1073,1085,1076,1077, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1089,1094,1092,1093, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1087,1106,1090,1091, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1110,1115,1113,1114, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1112,1117,1121,1116, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1108,1125,1111,1112, &end
#
#  chirality for residue 74 atoms:  CA CG1 CG2 HB
 &rst iat=1129,1133,1137,1132, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1127,1141,1130,1131, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1145,1150,1148,1149, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1147,1153,1151,1152, &end
#
#  chirality for residue 75 atoms:  CG NE HD2 HD3
 &rst iat=1150,1156,1154,1155, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1143,1165,1146,1147, &end
#
#  chirality for residue 76 atoms:  CA CG2 CG1 HB
 &rst iat=1169,1173,1177,1172, &end
#
#  chirality for residue 76 atoms:  CB CD1 HG12 HG13
 &rst iat=1171,1180,1178,1179, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1167,1184,1170,1171, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1188,1193,1191,1192, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1186,1198,1189,1190, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1202,1207,1205,1206, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1204,1210,1208,1209, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1200,1213,1203,1204, &end
#
#  chirality for residue 79 atoms:  CA CG1 CG2 HB
 &rst iat=1217,1221,1225,1220, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1215,1229,1218,1219, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1233,1238,1236,1237, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1235,1241,1239,1240, &end
#
#  chirality for residue 80 atoms:  CD NZ HE2 HE3
 &rst iat=1241,1247,1245,1246, &end
#
#  chirality for residue 80 atoms:  CG CE HD2 HD3
 &rst iat=1238,1244,1242,1243, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1231,1251,1234,1235, &end
#
#  chirality for residue 81 atoms:  CA OG HB2 HB3
 &rst iat=1255,1260,1258,1259, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1253,1262,1256,1257, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1266,1271,1269,1270, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1268,1274,1272,1273, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1264,1277,1267,1268, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1281,1286,1284,1285, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1283,1289,1287,1288, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1279,1292,1282,1283, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1296,1300,1304,1299, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1294,1308,1297,1298, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1320,1314,1318,1319, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1317,1311,1315,1316, &end
#
#  chirality for residue 85 atoms:  CG N HD2 HD3
 &rst iat=1314,1310,1312,1313, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1310,1322,1321,1317, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1324,1332,1327,1328, &end
#
#  chirality for residue 87 atoms:  CA CG1 CG2 HB
 &rst iat=1336,1340,1344,1339, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1334,1348,1337,1338, &end
#
#  chirality for residue 88 atoms:  N C HA2 HA3
 &rst iat=1350,1355,1353,1354, &end
#
#  chirality for residue 89 atoms:  CA CG2 CG1 HB
 &rst iat=1359,1363,1367,1362, &end
#
#  chirality for residue 89 atoms:  CB CD1 HG12 HG13
 &rst iat=1361,1370,1368,1369, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1357,1374,1360,1361, &end
#
#  chirality for residue 90 atoms:  CA CG1 CG2 HB
 &rst iat=1378,1382,1386,1381, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1376,1390,1379,1380, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1402,1396,1400,1401, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1399,1393,1397,1398, &end
#
#  chirality for residue 91 atoms:  CG N HD2 HD3
 &rst iat=1396,1392,1394,1395, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1392,1404,1403,1399, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1416,1410,1414,1415, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1413,1407,1411,1412, &end
#
#  chirality for residue 92 atoms:  CG N HD2 HD3
 &rst iat=1410,1406,1408,1409, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1406,1418,1417,1413, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1430,1424,1428,1429, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1427,1421,1425,1426, &end
#
#  chirality for residue 93 atoms:  CG N HD2 HD3
 &rst iat=1424,1420,1422,1423, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1420,1432,1431,1427, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1436,1441,1439,1440, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1434,1443,1437,1438, &end
#
#  chirality for residue 95 atoms:  N C HA2 HA3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1462,1456,1460,1461, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1459,1453,1457,1458, &end
#
#  chirality for residue 96 atoms:  CG N HD2 HD3
 &rst iat=1456,1452,1454,1455, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1452,1464,1463,1459, &end
#
#  chirality for residue 97 atoms:  CA OG HB2 HB3
 &rst iat=1468,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1466,1475,1469,1470, &end
#
#  chirality for residue 98 atoms:  CA OG HB2 HB3
 &rst iat=1479,1484,1482,1483, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1477,1486,1480,1481, &end
#
#  chirality for residue 99 atoms:  N C HA2 HA3
 &rst iat=1488,1493,1491,1492, &end
#
#  trans-omega constraint for residue 2
 &rst iat=12,10,8,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=23,21,19,12, &end
#
#  trans-omega constraint for residue 4
 &rst iat=34,32,30,23, &end
#
#  trans-omega constraint for residue 5
 &rst iat=41,39,37,34, &end
#
#  trans-omega constraint for residue 6
 &rst iat=52,50,48,41, &end
#
#  trans-omega constraint for residue 7
 &rst iat=63,61,59,52, &end
#
#  trans-omega constraint for residue 8
 &rst iat=70,68,66,63, &end
#
#  trans-omega constraint for residue 9
 &rst iat=89,87,85,70, &end
#
#  trans-omega constraint for residue 10
 &rst iat=111,109,107,89, &end
#
#  trans-omega constraint for residue 11
 &rst iat=125,123,121,111, &end
#
#  trans-omega constraint for residue 12
 &rst iat=145,143,141,125, &end
#
#  trans-omega constraint for residue 13
 &rst iat=164,162,160,145, &end
#
#  trans-omega constraint for residue 14
 &rst iat=185,183,181,164, &end
#
#  trans-omega constraint for residue 15
 &rst iat=195,193,191,185, &end
#
#  trans-omega constraint for residue 16
 &rst iat=219,217,215,195, &end
#
#  trans-omega constraint for residue 17
 &rst iat=230,228,226,219, &end
#
#  trans-omega constraint for residue 18
 &rst iat=237,235,233,230, &end
#
#  trans-omega constraint for residue 19
 &rst iat=259,257,255,237, &end
#
#  trans-omega constraint for residue 20
 &rst iat=283,281,279,259, &end
#
#  trans-omega constraint for residue 21
 &rst iat=305,303,301,283, &end
#
#  trans-omega constraint for residue 22
 &rst iat=322,320,318,305, &end
#
#  trans-omega constraint for residue 23
 &rst iat=344,334,332,322, &end
#
#  trans-omega constraint for residue 24
 &rst iat=350,348,346,344, &end
#
#  trans-omega constraint for residue 25
 &rst iat=360,358,356,350, &end
#
#  trans-omega constraint for residue 26
 &rst iat=381,379,377,360, &end
#
#  trans-omega constraint for residue 27
 &rst iat=396,394,392,381, &end
#
#  trans-omega constraint for residue 28
 &rst iat=415,413,411,396, &end
#
#  trans-omega constraint for residue 29
 &rst iat=439,437,435,415, &end
#
#  trans-omega constraint for residue 30
 &rst iat=449,447,445,439, &end
#
#  trans-omega constraint for residue 31
 &rst iat=465,463,461,449, &end
#
#  trans-omega constraint for residue 32
 &rst iat=472,470,468,465, &end
#
#  trans-omega constraint for residue 33
 &rst iat=486,484,482,472, &end
#
#  trans-omega constraint for residue 34
 &rst iat=508,506,504,486, &end
#
#  trans-omega constraint for residue 35
 &rst iat=522,520,518,508, &end
#
#  trans-omega constraint for residue 36
 &rst iat=546,544,542,522, &end
#
#  trans-omega constraint for residue 37
 &rst iat=563,561,559,546, &end
#
#  trans-omega constraint for residue 38
 &rst iat=585,583,581,563, &end
#
#  trans-omega constraint for residue 39
 &rst iat=605,603,601,585, &end
#
#  trans-omega constraint for residue 40
 &rst iat=622,620,618,605, &end
#
#  trans-omega constraint for residue 41
 &rst iat=633,631,629,622, &end
#
#  trans-omega constraint for residue 42
 &rst iat=648,646,644,633, &end
#
#  trans-omega constraint for residue 43
 &rst iat=664,662,660,648, &end
#
#  trans-omega constraint for residue 44
 &rst iat=688,686,684,664, &end
#
#  trans-omega constraint for residue 45
 &rst iat=704,702,700,688, &end
#
#  trans-omega constraint for residue 46
 &rst iat=719,717,715,704, &end
#
#  trans-omega constraint for residue 47
 &rst iat=726,724,722,719, &end
#
#  trans-omega constraint for residue 48
 &rst iat=746,744,742,726, &end
#
#  trans-omega constraint for residue 49
 &rst iat=760,758,756,746, &end
#
#  trans-omega constraint for residue 50
 &rst iat=781,779,777,760, &end
#
#  trans-omega constraint for residue 51
 &rst iat=791,789,787,781, &end
#
#  trans-omega constraint for residue 52
 &rst iat=798,796,794,791, &end
#
#  trans-omega constraint for residue 53
 &rst iat=815,813,811,798, &end
#
#  trans-omega constraint for residue 54
 &rst iat=822,820,818,815, &end
#
#  trans-omega constraint for residue 55
 &rst iat=836,834,832,822, &end
#
#  trans-omega constraint for residue 56
 &rst iat=847,845,843,836, &end
#
#  trans-omega constraint for residue 57
 &rst iat=861,859,857,847, &end
#
#  trans-omega constraint for residue 58
 &rst iat=875,873,871,861, &end
#
#  trans-omega constraint for residue 59
 &rst iat=897,895,893,875, &end
#
#  trans-omega constraint for residue 60
 &rst iat=919,917,915,897, &end
#
#  trans-omega constraint for residue 61
 &rst iat=931,929,927,919, &end
#
#  trans-omega constraint for residue 62
 &rst iat=941,939,937,931, &end
#
#  trans-omega constraint for residue 63
 &rst iat=958,956,954,941, &end
#
#  trans-omega constraint for residue 64
 &rst iat=969,967,965,958, &end
#
#  trans-omega constraint for residue 65
 &rst iat=983,981,979,969, &end
#
#  trans-omega constraint for residue 66
 &rst iat=993,991,989,983, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1003,1001,999,993, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1027,1025,1023,1003, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1039,1037,1035,1027, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1059,1057,1055,1039, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1075,1073,1071,1059, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1089,1087,1085,1075, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1110,1108,1106,1089, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1129,1127,1125,1110, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1145,1143,1141,1129, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1169,1167,1165,1145, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1188,1186,1184,1169, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1202,1200,1198,1188, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1217,1215,1213,1202, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1233,1231,1229,1217, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1255,1253,1251,1233, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1266,1264,1262,1255, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1281,1279,1277,1266, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1296,1294,1292,1281, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1320,1310,1308,1296, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1326,1324,1322,1320, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1336,1334,1332,1326, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1352,1350,1348,1336, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1359,1357,1355,1352, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1378,1376,1374,1359, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1402,1392,1390,1378, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1416,1406,1404,1402, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1430,1420,1418,1416, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1436,1434,1432,1430, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1447,1445,1443,1436, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1462,1452,1450,1447, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1468,1466,1464,1462, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1479,1477,1475,1468, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1490,1488,1486,1479, &end
#
#   7  GLY  HA2   10  ASN  HB2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, 
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 &end
#
#   7  GLY  HA2   10  ASN  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  64, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7  GLY  HA3   10  ASN  HB2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7  GLY  HA3   10  ASN  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   7  GLY   HN    8  ILE   HN  1.80  2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  69, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   7  GLY   QA    9 LYS+   HN  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=  64,  65,
 &end
#
#   8  ILE   HA   11  PHE  HB2  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 128, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   8  ILE   HA   11  PHE  HB3  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 129, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   8  ILE   HA   11  PHE   HN  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 124, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   8  ILE   HA   11  PHE   QB  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 128, 129,
 &end
#
#   8  ILE   HA   11  PHE   QD  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 132, 140,
 &end
#
#   8  ILE   HA   12  LEU   HN  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 144, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   8  ILE   HA   84  VAL  QG1  1.80  5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2=1301,1302,1303,
 &end
#
#   8  ILE   HA   85  PRO  HG2  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1315, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   8  ILE   HA   85  PRO  HG3  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  71,1316, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   8  ILE   HA   85  PRO   QD  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1312,1313,
 &end
#
#   8  ILE   HA    8  ILE  QD1  1.80  3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=  82,  83,  84,
 &end
#
#   8  ILE   HA    8  ILE  QG2  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=  75,  76,  77,
 &end
#
#   8  ILE   HB    8  ILE  QD1  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=  82,  83,  84,
 &end
#
#   8  ILE   HB    9 LYS+   HN  1.80  4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  88, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   8  ILE HG12   67 ARG+   HA  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  79,1004, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   8  ILE HG12   67 ARG+   HN  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  79,1002, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   8  ILE HG12   67 ARG+   QB  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1006,1007,
 &end
#
#   8  ILE HG12   67 ARG+   QD  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1012,1013,
 &end
#
#   8  ILE HG13   12  LEU  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 149, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8  ILE HG13   66  ALA   QB  1.80  3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 996, 997, 998,
 &end
#
#   8  ILE HG13   67 ARG+   HA  1.80  4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  80,1004, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   8  ILE HG13   67 ARG+   HN  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  80,1002, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   8  ILE HG13   70  VAL   HB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  80,1062, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8  ILE HG13    9 LYS+   HN  1.80  4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  88, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   8  ILE   HN    8  ILE   HB  1.80  3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  73, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   8  ILE   HN    8  ILE HG13  1.80  5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  80, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   8  ILE   HN    8  ILE  QD1  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=  82,  83,  84,
 &end
#
#   8  ILE   HN    8  ILE  QG2  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=  75,  76,  77,
 &end
#
#   8  ILE   HN    9 LYS+   HN  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  69,  88, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   8  ILE  QD1   11  PHE   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   11  PHE   QB  1.80  3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=  82,  83,  84,
 igr2= 128, 129,
 &end
#
#   8  ILE  QD1   11  PHE   QD  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=  82,  83,  84,
 igr2= 132, 140,
 &end
#
#   8  ILE  QD1   11  PHE   QE  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=  82,  83,  84,
 igr2= 134, 138,
 &end
#
#   8  ILE  QD1   12  LEU   HN  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   67 ARG+   HA  1.80  3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   67 ARG+  HD2  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   67 ARG+  HD3  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   67 ARG+   HN  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   67 ARG+   QD  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=  82,  83,  84,
 igr2=1012,1013,
 &end
#
#   8  ILE  QD1   70  VAL   HB  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1062, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   70  VAL   HN  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   70  VAL  QG2  1.80  3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=  82,  83,  84,
 igr2=1068,1069,1070,
 &end
#
#   8  ILE  QD1   84  VAL  QG1  1.80  3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=  82,  83,  84,
 igr2=1301,1302,1303,
 &end
#
#   8  ILE  QD1   85  PRO  HD2  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   85  PRO  HD3  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=  82,  83,  84,
 &end
#
#   8  ILE  QD1   85  PRO   QD  1.80  3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  82,  83,  84,
 igr2=1312,1313,
 &end
#
#   8  ILE  QD1   85  PRO   QG  1.80  3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  82,  83,  84,
 igr2=1315,1316,
 &end
#
#   8  ILE  QG2   11  PHE   HN  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 124, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2   63  SER   HA  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 959, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2   63  SER   QB  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  75,  76,  77,
 igr2= 961, 962,
 &end
#
#   8  ILE  QG2   66  ALA   HN  1.80  4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2   66  ALA   QB  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=  75,  76,  77,
 igr2= 996, 997, 998,
 &end
#
#   8  ILE  QG2   67 ARG+   HA  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2   67 ARG+   HN  1.80  3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2    8  ILE HG13  1.80  3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2    9 LYS+   HA  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  75,  76,  77,
 &end
#
#   8  ILE  QG2    9 LYS+   HN  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  75,  76,  77,
 &end
#
#   9 LYS+   HA   12  LEU  HB3  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 149, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   9 LYS+   HA   12  LEU   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 144, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   9 LYS+   HA   13  TYR   HN  1.80  4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 163, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   9 LYS+   HA    9 LYS+   QD  1.80  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=  98,  99,
 &end
#
#   9 LYS+   HA    9 LYS+   QE  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 101, 102,
 &end
#
#   9 LYS+   HA    9 LYS+   QG  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=  95,  96,
 &end
#
#   9 LYS+  HB2   10  ASN   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 110, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   9 LYS+  HB2   11  PHE   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LYS+  HB3   10  ASN   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 110, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   9 LYS+  HB3   11  PHE   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 124, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9  LYS  HG2   10  ASN   HN  4.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 110, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50,  &end
#
#   9  LYS  HG3   10  ASN   HN  4.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 110, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50,  &end
#
#   9 LYS+   HN   10  ASN   HN  1.80  3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 110, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   9 LYS+   HN   11  PHE   HN  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  88, 124, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   9 LYS+   HN    9 LYS+  HB2  1.80  3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  92, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   9 LYS+   HN    9 LYS+  HB3  1.80  3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  93, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   9  LYS   HN    9  LYS  HD2  3.50  100.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  98, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50,  &end
#
#   9  LYS   HN    9  LYS  HD3  3.50  100.0
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  99, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50,  &end
#
#   9 LYS+   HN    9 LYS+  HG2  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  95, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   9 LYS+   HN    9 LYS+  HG3  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  96, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   9 LYS+   HN    9 LYS+   QB  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2=  92,  93,
 &end
#
#   9 LYS+   HN    9 LYS+   QD  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=  98,  99,
 &end
#
#   9 LYS+   HN    9 LYS+   QG  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=  95,  96,
 &end
#
#   9 LYS+   QB   10  ASN   HN  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 110, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=  92,  93,
 &end
#
#   9 LYS+   QB    9 LYS+   QD  1.80  2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1=  92,  93,
 igr2=  98,  99,
 &end
#
#   9 LYS+   QB    9 LYS+   QE  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1=  92,  93,
 igr2= 101, 102,
 &end
#
#   9 LYS+   QD   12  LEU  HB3  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=  98,  99,
 &end
#
#   9 LYS+   QG    9 LYS+   QE  1.80  3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=  95,  96,
 igr2= 101, 102,
 &end
#
#  10  ASN   HA   13  TYR  HB2  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 167, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  10  ASN   HA   13  TYR  HB3  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 168, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  10  ASN   HA   13  TYR   HN  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 163, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  10  ASN   HA   13  TYR   QD  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 171, 180,
 &end
#
#  10  ASN   HA   14  ALA   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 184, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  10  ASN  HB3   11  PHE   HA  1.80  5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 126, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  10  ASN  HB3   11  PHE   HN  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 124, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  10  ASN  HB3   14  ALA   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10  ASN  HB3   14  ALA   QB  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 188, 189, 190,
 &end
#
#  10  ASN   HN   10  ASN  HB2  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 114, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  10  ASN   HN   10  ASN  HB3  1.80  3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 115, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  10  ASN   HN   10  ASN  QD2  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 119, 120,
 &end
#
#  10  ASN   HN   11  PHE   HN  1.80  2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 124, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  11  PHE   HA   11  PHE   QD  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 132, 140,
 &end
#
#  11  PHE   HA   14  ALA   HN  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 184, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  11  PHE   HA   14  ALA   QB  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 188, 189, 190,
 &end
#
#  11  PHE   HA   15  TRP   HN  1.80  5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 194, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  11  PHE  HB2   12  LEU   HN  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 144, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  11  PHE  HB2   70  VAL  QG2  1.80  5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1068,1069,1070,
 &end
#
#  11  PHE  HB2   85  PRO  HG2  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 128,1315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  11  PHE  HB2   85  PRO  HG3  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 128,1316, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  11  PHE  HB3   12  LEU   HN  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 129, 144, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  11  PHE  HB3   70  VAL  QG2  1.80  5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1068,1069,1070,
 &end
#
#  11  PHE  HB3   85  PRO  HG2  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 129,1315, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  11  PHE  HB3   85  PRO  HG3  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 129,1316, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  11  PHE   HN   11  PHE  HB2  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 128, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  11  PHE   HN   11  PHE  HB3  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 129, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  11  PHE   HN   11  PHE   QD  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 132, 140,
 &end
#
#  11  PHE   HN   12  LEU  HB2  1.80  5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 148, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  11  PHE   HN   12  LEU   HN  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 144, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  11  PHE   HN   66  ALA   QB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 996, 997, 998,
 &end
#
#  11  PHE   HN   85  PRO   QG  1.80  5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1315,1316,
 &end
#
#  11  PHE   HZ   79  VAL  QG1  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1222,1223,1224,
 &end
#
#  11  PHE   HZ   79  VAL  QG2  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1226,1227,1228,
 &end
#
#  11  PHE   HZ   80 LYS+   HN  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 136,1232, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  11  PHE   HZ   83 GLU-  HB2  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 136,1284, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  11  PHE   HZ   83 GLU-  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 136,1287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11  PHE   HZ   83 GLU-  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 136,1288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11  PHE   HZ   84  VAL  QG2  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1305,1306,1307,
 &end
#
#  11  PHE   QB   12  LEU   HN  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 128, 129,
 &end
#
#  11  PHE   QB   85  PRO   QD  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 128, 129,
 igr2=1312,1313,
 &end
#
#  11  PHE   QB   85  PRO   QG  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 128, 129,
 igr2=1315,1316,
 &end
#
#  11  PHE   QD   12  LEU   HA  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 132, 140,
 &end
#
#  11  PHE   QD   12  LEU   HN  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 132, 140,
 &end
#
#  11  PHE   QD   15  TRP   HN  1.80  5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 132, 140,
 &end
#
#  11  PHE   QD   70  VAL  QG1  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 132, 140,
 igr2=1064,1065,1066,
 &end
#
#  11  PHE   QD   70  VAL  QG2  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 132, 140,
 igr2=1068,1069,1070,
 &end
#
#  11  PHE   QD   79  VAL  QG1  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 132, 140,
 igr2=1222,1223,1224,
 &end
#
#  11  PHE   QD   84  VAL  QG2  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 132, 140,
 igr2=1305,1306,1307,
 &end
#
#  11  PHE   QD   85  PRO  HD2  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 132, 140,
 &end
#
#  11  PHE   QD   85  PRO  HD3  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 132, 140,
 &end
#
#  11  PHE   QD   85  PRO   QD  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 132, 140,
 igr2=1312,1313,
 &end
#
#  11  PHE   QD   85  PRO   QG  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 132, 140,
 igr2=1315,1316,
 &end
#
#  11  PHE   QE   12  LEU   HA  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 146, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   12  LEU   HN  1.80  5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   70  VAL  QG1  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 134, 138,
 igr2=1064,1065,1066,
 &end
#
#  11  PHE   QE   70  VAL  QG2  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 134, 138,
 igr2=1068,1069,1070,
 &end
#
#  11  PHE   QE   79  VAL  QG1  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 134, 138,
 igr2=1222,1223,1224,
 &end
#
#  11  PHE   QE   79  VAL  QG2  1.80  3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 134, 138,
 igr2=1226,1227,1228,
 &end
#
#  11  PHE   QE   83 GLU-  HB2  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   83 GLU-  HB3  1.80  4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   83 GLU-  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   83 GLU-  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   83 GLU-   QG  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 134, 138,
 igr2=1287,1288,
 &end
#
#  11  PHE   QE   84  VAL   HA  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 134, 138,
 &end
#
#  11  PHE   QE   84  VAL  QG1  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 134, 138,
 igr2=1301,1302,1303,
 &end
#
#  11  PHE   QE   84  VAL  QG2  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 134, 138,
 igr2=1305,1306,1307,
 &end
#
#  12  LEU   HA   12  LEU  QD1  1.80  3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 153, 154, 155,
 &end
#
#  12  LEU   HA   15  TRP  HB2  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 198, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  12  LEU   HA   15  TRP  HB3  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 199, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  12  LEU   HA   15  TRP   HN  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 194, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  12  LEU   HA   16  CYS   HN  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 218, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  12  LEU   HA   70  VAL  QG2  1.80  4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1068,1069,1070,
 &end
#
#  12  LEU  HB2   12  LEU  QD1  1.80  3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 153, 154, 155,
 &end
#
#  12  LEU  HB2   12  LEU  QD2  1.80  3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 157, 158, 159,
 &end
#
#  12  LEU  HB2   66  ALA   QB  1.80  4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 996, 997, 998,
 &end
#
#  12  LEU  HB2   69  PHE   QD  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1046,1054,
 &end
#
#  12  LEU  HB2   70  VAL  QG2  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1068,1069,1070,
 &end
#
#  12  LEU  HB3   12  LEU  QD1  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 153, 154, 155,
 &end
#
#  12  LEU  HB3   12  LEU  QD2  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 157, 158, 159,
 &end
#
#  12  LEU  HB3   13  TYR   HA  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 165, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  12  LEU  HB3   13  TYR   HN  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 163, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  12  LEU  HB3   66  ALA   QB  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 996, 997, 998,
 &end
#
#  12  LEU  HB3   70  VAL  QG2  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1068,1069,1070,
 &end
#
#  12  LEU   HG   13  TYR   HA  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  12  LEU   HG   13  TYR   HN  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 163, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  12  LEU   HN   12  LEU  HB2  1.80  3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  12  LEU   HN   12  LEU  HB3  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 149, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  12  LEU   HN   12  LEU  QD1  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 153, 154, 155,
 &end
#
#  12  LEU   HN   12  LEU  QD2  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 157, 158, 159,
 &end
#
#  12  LEU   HN   13  TYR   HN  1.80  2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 163, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  12  LEU   HN   15  TRP   HN  1.80  5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 194, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  12  LEU   HN   66  ALA   QB  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 996, 997, 998,
 &end
#
#  12  LEU   HN   70  VAL  QG2  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1068,1069,1070,
 &end
#
#  12  LEU  QD1   13  TYR   HN  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   15  TRP  HB2  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   15  TRP  HB3  1.80  4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   15  TRP  HE3  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   15  TRP   HN  1.80  5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   15  TRP  HZ3  1.80  4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   16  CYS  HB3  1.80  5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   16  CYS   HN  1.80  4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   44  VAL  QG2  1.80  3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 153, 154, 155,
 igr2= 697, 698, 699,
 &end
#
#  12  LEU  QD1   66  ALA   QB  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 153, 154, 155,
 igr2= 996, 997, 998,
 &end
#
#  12  LEU  QD1   69  PHE   QB  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 153, 154, 155,
 igr2=1042,1043,
 &end
#
#  12  LEU  QD1   69  PHE   QD  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 153, 154, 155,
 igr2=1046,1054,
 &end
#
#  12  LEU  QD1   69  PHE   QE  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 153, 154, 155,
 igr2=1048,1052,
 &end
#
#  12  LEU  QD1   70  VAL   HN  1.80  5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 153, 154, 155,
 &end
#
#  12  LEU  QD1   70  VAL  QG2  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 153, 154, 155,
 igr2=1068,1069,1070,
 &end
#
#  12  LEU  QD1   73  LEU  QD1  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 153, 154, 155,
 igr2=1118,1119,1120,
 &end
#
#  12  LEU  QD1   73  LEU  QD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 153, 154, 155,
 igr2=1122,1123,1124,
 &end
#
#  12  LEU  QD2   13  TYR   HN  1.80  5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   23  PRO  HB2  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   23  PRO  HB3  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   23  PRO   QG  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 157, 158, 159,
 igr2= 339, 340,
 &end
#
#  12  LEU  QD2   25  TYR   QE  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 157, 158, 159,
 igr2= 369, 374,
 &end
#
#  12  LEU  QD2   42  VAL  QG1  1.80  3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 157, 158, 159,
 igr2= 653, 654, 655,
 &end
#
#  12  LEU  QD2   42  VAL  QG2  1.80  3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 157, 158, 159,
 igr2= 657, 658, 659,
 &end
#
#  12  LEU  QD2   44  VAL  QG2  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 157, 158, 159,
 igr2= 697, 698, 699,
 &end
#
#  12  LEU  QD2   66  ALA   HA  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   66  ALA   HN  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   66  ALA   QB  1.80  3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 157, 158, 159,
 igr2= 996, 997, 998,
 &end
#
#  12  LEU  QD2   69  PHE  HB2  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   69  PHE  HB3  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   69  PHE   HN  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   69  PHE   QB  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 157, 158, 159,
 igr2=1042,1043,
 &end
#
#  12  LEU  QD2   69  PHE   QD  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 157, 158, 159,
 igr2=1046,1054,
 &end
#
#  12  LEU  QD2   70  VAL   HN  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 157, 158, 159,
 &end
#
#  12  LEU  QD2   70  VAL  QG2  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 157, 158, 159,
 igr2=1068,1069,1070,
 &end
#
#  13  TYR   HA   13  TYR   QD  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 171, 180,
 &end
#
#  13  TYR   HA   16  CYS  HB2  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 222, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  13  TYR   HA   16  CYS  HB3  1.80  4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 223, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  13  TYR   HA   16  CYS   HN  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 218, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  13  TYR   HA   17  GLY   HN  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 229, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  13  TYR   HA   23  PRO   QD  1.80  3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 336, 337,
 &end
#
#  13  TYR   HA   23  PRO   QG  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 339, 340,
 &end
#
#  13  TYR  HB2   14  ALA   HN  1.80  3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 184, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  13  TYR  HB2   14  ALA   QB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 188, 189, 190,
 &end
#
#  13  TYR  HB3   14  ALA   HN  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 168, 184, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  13  TYR  HB3   14  ALA   QB  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 188, 189, 190,
 &end
#
#  13  TYR   HN   13  TYR  HB2  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 167, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  13  TYR   HN   13  TYR  HB3  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  13  TYR   HN   13  TYR   QD  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 171, 180,
 &end
#
#  13  TYR   HN   14  ALA   HN  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 184, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  13  TYR   HN   15  TRP   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  13  TYR   QD   14  ALA   HA  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 186, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   14  ALA   HN  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 184, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   14  ALA   QB  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 171, 180,
 igr2= 188, 189, 190,
 &end
#
#  13  TYR   QD   16  CYS  HB2  1.80  5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   22  THR  QG2  1.80  4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 171, 180,
 igr2= 327, 328, 329,
 &end
#
#  13  TYR   QD   23  PRO  HD2  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   23  PRO  HD3  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   23  PRO  HG2  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   23  PRO  HG3  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 171, 180,
 &end
#
#  13  TYR   QD   23  PRO   QD  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 171, 180,
 igr2= 336, 337,
 &end
#
#  13  TYR   QE   22  THR  QG2  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 173, 178,
 igr2= 327, 328, 329,
 &end
#
#  13  TYR   QE   23  PRO   QD  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 173, 178,
 igr2= 336, 337,
 &end
#
#  13  TYR   QE   23  PRO   QG  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 173, 178,
 igr2= 339, 340,
 &end
#
#  14  ALA   HA   17  GLY  HA3  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 232, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  14  ALA   HA   17  GLY   HN  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  14  ALA   HA   18 LYS+   HN  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 236, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  14  ALA   HN   14  ALA   QB  1.80  2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 184,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 188, 189, 190,
 &end
#
#  14  ALA   HN   15  TRP   HA  1.80  5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 196, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  14  ALA   HN   15  TRP  HB3  1.80  5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 199, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  14  ALA   HN   15  TRP   HN  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 194, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  14  ALA   HN   16  CYS  HB2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14  ALA   QB   15  TRP   HA  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 196, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 188, 189, 190,
 &end
#
#  14  ALA   QB   15  TRP  HB2  1.80  4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 188, 189, 190,
 &end
#
#  14  ALA   QB   15  TRP  HB3  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 188, 189, 190,
 &end
#
#  14  ALA   QB   15  TRP   HN  1.80  3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1= 188, 189, 190,
 &end
#
#  14  ALA   QB   16  CYS   HN  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 188, 189, 190,
 &end
#
#  14  ALA   QB   17  GLY   HN  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 188, 189, 190,
 &end
#
#  15  TRP   HA   15  TRP  HD1  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 202, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  15  TRP   HA   15  TRP  HE1  1.80  5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 204, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  15  TRP   HA   17  GLY   HN  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 229, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  15  TRP   HA   18 LYS+   HN  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 236, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  15  TRP   HA   18 LYS+   QB  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 240, 241,
 &end
#
#  15  TRP   HA   18 LYS+   QG  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 243, 244,
 &end
#
#  15  TRP  HB2   15  TRP  HD1  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 202, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  15  TRP  HB2   16  CYS   HN  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 218, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  15  TRP  HB3   15  TRP  HE3  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 213, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  15  TRP  HB3   15  TRP  HZ3  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 211, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  15  TRP  HB3   16  CYS   HN  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 218, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  15  TRP  HD1   79  VAL  QG1  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1222,1223,1224,
 &end
#
#  15  TRP  HD1   79  VAL  QG2  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1226,1227,1228,
 &end
#
#  15  TRP  HE1   19 ARG+   QG  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 265, 266,
 &end
#
#  15  TRP  HE1   73  LEU  QD1  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1118,1119,1120,
 &end
#
#  15  TRP  HE1   73  LEU  QD2  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1122,1123,1124,
 &end
#
#  15  TRP  HE1   78 GLU-  HB3  1.80  5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 204,1206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  15  TRP  HE1   79  VAL   HA  1.80  4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 204,1218, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  15  TRP  HE1   79  VAL   HB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 204,1220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  TRP  HE1   79  VAL  QG1  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1222,1223,1224,
 &end
#
#  15  TRP  HE1   79  VAL  QG2  1.80  3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1226,1227,1228,
 &end
#
#  15  TRP  HE3   16  CYS   HA  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 220, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  15  TRP  HE3   16  CYS  HB3  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 223, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  15  TRP  HE3   16  CYS   HN  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 218, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  15  TRP  HE3   44  VAL  QG1  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 693, 694, 695,
 &end
#
#  15  TRP  HE3   44  VAL  QG2  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 697, 698, 699,
 &end
#
#  15  TRP  HE3   73  LEU  QD1  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1118,1119,1120,
 &end
#
#  15  TRP  HE3   73  LEU  QD2  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1122,1123,1124,
 &end
#
#  15  TRP  HH2   19 ARG+   QD  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 268, 269,
 &end
#
#  15  TRP  HH2   44  VAL  QG1  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 693, 694, 695,
 &end
#
#  15  TRP  HH2   47  PHE   HZ  1.80  3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 737, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  15  TRP  HH2   47  PHE   QE  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 735, 739,
 &end
#
#  15  TRP  HH2   73  LEU  QD1  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2=1118,1119,1120,
 &end
#
#  15  TRP  HH2   73  LEU  QD2  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1122,1123,1124,
 &end
#
#  15  TRP  HH2   78 GLU-  HB2  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1205, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  15  TRP  HH2   78 GLU-  HB3  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 209,1206, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  15  TRP   HN   15  TRP  HB2  1.80  3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  15  TRP   HN   15  TRP  HB3  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15  TRP   HN   15  TRP  HD1  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 202, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  15  TRP   HN   16  CYS   HN  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 218, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  15  TRP  HZ2   19 ARG+   HE  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  TRP  HZ2   19 ARG+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  TRP  HZ2   19 ARG+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  TRP  HZ2   19 ARG+   QD  1.80  4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 268, 269,
 &end
#
#  15  TRP  HZ2   73  LEU  QD1  1.80  4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1118,1119,1120,
 &end
#
#  15  TRP  HZ2   73  LEU  QD2  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1122,1123,1124,
 &end
#
#  15  TRP  HZ2   78 GLU-  HB2  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 207,1205, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  15  TRP  HZ2   78 GLU-  HB3  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 207,1206, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  15  TRP  HZ2   79  VAL  QG2  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1226,1227,1228,
 &end
#
#  15  TRP  HZ3   16  CYS   HA  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 220, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  15  TRP  HZ3   16  CYS   HN  1.80  5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 218, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  15  TRP  HZ3   19 ARG+  HD2  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 268, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  15  TRP  HZ3   19 ARG+  HD3  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 269, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  15  TRP  HZ3   21  MET   QE  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 315, 316, 317,
 &end
#
#  15  TRP  HZ3   44  VAL   HB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 691, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  15  TRP  HZ3   44  VAL  QG1  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 693, 694, 695,
 &end
#
#  15  TRP  HZ3   44  VAL  QG2  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr2= 697, 698, 699,
 &end
#
#  15  TRP  HZ3   47  PHE   QE  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 735, 739,
 &end
#
#  15  TRP  HZ3   73  LEU  QD1  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1118,1119,1120,
 &end
#
#  15  TRP  HZ3   73  LEU  QD2  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1122,1123,1124,
 &end
#
#  16  CYS   HA   18 LYS+   HN  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 236, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  16  CYS   HA   19 ARG+   HN  1.80  4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 258, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  16  CYS   HA   19 ARG+   QB  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 262, 263,
 &end
#
#  16  CYS   HA   19 ARG+   QD  1.80  4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 268, 269,
 &end
#
#  16  CYS   HA   21  MET  HB2  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 308, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  16  CYS   HA   21  MET  HB3  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 309, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  16  CYS   HA   21  MET   HN  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 304, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  16  CYS   HA   21  MET   QE  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 315, 316, 317,
 &end
#
#  16  CYS  HB2   17  GLY   HN  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 229, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  16  CYS  HB2   18 LYS+   HN  1.80  5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 236, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  16  CYS  HB2   21  MET  HB2  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 308, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  16  CYS  HB2   21  MET  HB3  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 309, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  16  CYS  HB2   23  PRO  HD2  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 336, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  16  CYS  HB2   23  PRO  HD3  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 337, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  16  CYS  HB2   23  PRO   QD  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 336, 337,
 &end
#
#  16  CYS  HB2   23  PRO   QG  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 339, 340,
 &end
#
#  16  CYS  HB2   44  VAL  QG1  1.80  5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 693, 694, 695,
 &end
#
#  16  CYS  HB3   17  GLY   HN  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 229, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  16  CYS  HB3   21  MET  HB2  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  16  CYS  HB3   21  MET  HB3  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 309, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  16  CYS  HB3   21  MET   HN  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 304, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  16  CYS  HB3   23  PRO  HD2  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 336, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  16  CYS  HB3   23  PRO  HD3  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 337, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  16  CYS  HB3   23  PRO   QD  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 336, 337,
 &end
#
#  16  CYS  HB3   44  VAL  QG1  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 693, 694, 695,
 &end
#
#  16  CYS   HN   16  CYS  HB2  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 222, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  16  CYS   HN   16  CYS  HB3  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 223, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  16  CYS   HN   17  GLY   HN  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 229, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  16  CYS   HN   18 LYS+   HN  1.80  4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 236, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17  GLY  HA2   19 ARG+   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 258, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  17  GLY  HA2   20 LYS+   HN  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 282, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  17  GLY  HA2   21  MET   HN  1.80  3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 304, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  17  GLY  HA3   18 LYS+   HN  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 236, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  17  GLY  HA3   19 ARG+   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  17  GLY   HN   18 LYS+   HN  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 236, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  17  GLY   HN   18 LYS+   QB  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 240, 241,
 &end
#
#  17  GLY   HN   18 LYS+   QG  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 243, 244,
 &end
#
#  17  GLY   HN   19 ARG+   HN  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 258, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  17  GLY   HN   21  MET   HN  1.80  4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 304, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  18 LYS+   HA   18 LYS+  HG2  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 243, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  18 LYS+   HA   18 LYS+  HG3  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 244, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  18 LYS+   HA   18 LYS+   QG  1.80  3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 243, 244,
 &end
#
#  18 LYS+   HA   20 LYS+   HN  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 282, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 LYS+  HB2   19 ARG+   HN  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 258, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  18 LYS+  HB3   19 ARG+   HN  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 258, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  18 LYS+   HN   18 LYS+  HB2  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 240, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  18 LYS+   HN   18 LYS+  HB3  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 241, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  18 LYS+   HN   18 LYS+  HG2  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 243, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  18 LYS+   HN   18 LYS+  HG3  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 244, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  18 LYS+   HN   18 LYS+   QB  1.80  2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 240, 241,
 &end
#
#  18 LYS+   HN   18 LYS+   QG  1.80  3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 236,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 243, 244,
 &end
#
#  18 LYS+   HN   19 ARG+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 LYS+   HN   19 ARG+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 LYS+   HN   19 ARG+   HN  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 258, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  18 LYS+   HN   20 LYS+   HN  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 282, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  18 LYS+   QB   19 ARG+   HN  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 258, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 240, 241,
 &end
#
#  18 LYS+   QB   19 ARG+   QG  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 240, 241,
 igr2= 265, 266,
 &end
#
#  19 ARG+   HA   19 ARG+  HG2  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 265, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  19 ARG+   HA   19 ARG+  HG3  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 266, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  19 ARG+   HA   19 ARG+   QD  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 260,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 268, 269,
 &end
#
#  19 ARG+   HN   19 ARG+  HB2  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 262, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 ARG+   HN   19 ARG+  HB3  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 263, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  19 ARG+   HN   19 ARG+  HD2  1.80  5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 268, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  19 ARG+   HN   19 ARG+  HD3  1.80  5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 269, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  19 ARG+   HN   19 ARG+  HG2  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 265, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  19 ARG+   HN   19 ARG+  HG3  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 266, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  19 ARG+   HN   19 ARG+   QB  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 262, 263,
 &end
#
#  19 ARG+   HN   19 ARG+   QD  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 268, 269,
 &end
#
#  19 ARG+   HN   19 ARG+   QG  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 265, 266,
 &end
#
#  19 ARG+   HN   20 LYS+   HA  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 284, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  19 ARG+   HN   20 LYS+   HN  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 282, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  19 ARG+   HN   21  MET  HG3  1.80  4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 312, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  19 ARG+   HN   21  MET   HN  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 304, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  19 ARG+   QB   19 ARG+   QD  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 262, 263,
 igr2= 268, 269,
 &end
#
#  19 ARG+   QB   21  MET  HG3  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 262, 263,
 &end
#
#  19 ARG+   QB   21  MET   HN  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 304, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 262, 263,
 &end
#
#  19 ARG+   QD   19 ARG+  QH1  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 268, 269,
 igr2= 274, 275,
 &end
#
#  19 ARG+   QG   19 ARG+  QH1  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 265, 266,
 igr2= 274, 275,
 &end
#
#  20 LYS+   HA   20 LYS+   QG  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 289, 290,
 &end
#
#  20 LYS+   HA   21  MET   HN  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 LYS+   HN   20 LYS+   HA  1.80  2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 284, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#  20 LYS+   HN   20 LYS+  HG2  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 289, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  20 LYS+   HN   20 LYS+  HG3  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 290, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  20 LYS+   HN   20 LYS+   QG  1.80  3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 282,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 289, 290,
 &end
#
#  20 LYS+   HN   21  MET  HB2  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 308, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  20 LYS+   HN   21  MET   HN  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 304, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  21  MET  HB2   22  THR   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 321, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  21  MET  HB2   44  VAL  QG1  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 693, 694, 695,
 &end
#
#  21  MET  HB3   22  THR   HN  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 321, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  21  MET  HB3   44  VAL  QG1  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 693, 694, 695,
 &end
#
#  21  MET  HG2   22  THR   HN  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 311, 321, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  21  MET  HG2   44  VAL  QG1  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 311,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 693, 694, 695,
 &end
#
#  21  MET  HG3   21  MET   QE  1.80  2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 315, 316, 317,
 &end
#
#  21  MET  HG3   44  VAL  QG1  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 693, 694, 695,
 &end
#
#  21  MET   HN   21  MET  HB2  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 308, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  21  MET   HN   21  MET  HB3  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 309, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  21  MET   HN   21  MET  HG2  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 311, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  21  MET   HN   21  MET  HG3  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 312, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  21  MET   HN   22  THR   HN  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 321, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  21  MET   QE   44  VAL  QG1  1.80  3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 315, 316, 317,
 igr2= 693, 694, 695,
 &end
#
#  21  MET   QE   47  PHE   QE  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 315, 316, 317,
 igr2= 735, 739,
 &end
#
#  21  MET   QE   73  LEU  QD1  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 315, 316, 317,
 igr2=1118,1119,1120,
 &end
#
#  22  THR   HN   22  THR   HB  1.80  3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  22  THR   HN   22  THR  QG2  1.80  4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 327, 328, 329,
 &end
#
#  22  THR   HN   23  PRO   QD  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 336, 337,
 &end
#
#  22  THR   HN   44  VAL  QG1  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 693, 694, 695,
 &end
#
#  22  THR  QG2   23  PRO  HD2  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 327, 328, 329,
 &end
#
#  22  THR  QG2   23  PRO  HD3  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 327, 328, 329,
 &end
#
#  22  THR  QG2   23  PRO   QD  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 327, 328, 329,
 igr2= 336, 337,
 &end
#
#  22  THR  QG2   23  PRO   QG  1.80  4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 327, 328, 329,
 igr2= 339, 340,
 &end
#
#  23  PRO   HA   24  ALA   HN  1.80  2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 349, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  23  PRO   HA   24  ALA   QB  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 353, 354, 355,
 &end
#
#  23  PRO   HA   42  VAL  QG2  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 657, 658, 659,
 &end
#
#  23  PRO   HA   44  VAL   HA  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 689, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  23  PRO   HA   44  VAL  QG1  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 693, 694, 695,
 &end
#
#  23  PRO   HA   44  VAL  QG2  1.80  3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 697, 698, 699,
 &end
#
#  23  PRO  HB2   24  ALA   HN  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  23  PRO  HB2   25  TYR   QD  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 367, 376,
 &end
#
#  23  PRO  HB2   25  TYR   QE  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 369, 374,
 &end
#
#  23  PRO  HB2   42  VAL  QG2  1.80  3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 657, 658, 659,
 &end
#
#  23  PRO  HB2   44  VAL  QG2  1.80  4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 697, 698, 699,
 &end
#
#  23  PRO  HB3   24  ALA   HN  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 349, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  23  PRO  HB3   25  TYR   QE  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 369, 374,
 &end
#
#  23  PRO  HB3   42  VAL  QG2  1.80  3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 657, 658, 659,
 &end
#
#  23  PRO  HB3   44  VAL  QG2  1.80  3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 697, 698, 699,
 &end
#
#  23  PRO  HG2   25  TYR   QE  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 369, 374,
 &end
#
#  23  PRO  HG3   25  TYR   QE  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 369, 374,
 &end
#
#  23  PRO   QG   24  ALA   HN  1.80  4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 339, 340,
 &end
#
#  23  PRO   QG   25  TYR   QE  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 339, 340,
 igr2= 369, 374,
 &end
#
#  23  PRO   QG   42  VAL  QG2  1.80  4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1= 339, 340,
 igr2= 657, 658, 659,
 &end
#
#  24  ALA   HA   25  TYR  HB2  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 363, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  24  ALA   HN   24  ALA   QB  1.80  2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 353, 354, 355,
 &end
#
#  24  ALA   HN   25  TYR   HA  1.80  5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 361, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  24  ALA   HN   42  VAL   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24  ALA   HN   42  VAL  QG2  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 657, 658, 659,
 &end
#
#  24  ALA   HN   43 ARG+   HN  1.80  3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 663, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  24  ALA   HN   44  VAL   HA  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 689, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  24  ALA   HN   44  VAL  QG2  1.80  3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 349,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 697, 698, 699,
 &end
#
#  24  ALA   QB   25  TYR   HA  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 353, 354, 355,
 &end
#
#  24  ALA   QB   25  TYR   HN  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 353, 354, 355,
 &end
#
#  24  ALA   QB   25  TYR   QD  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 353, 354, 355,
 igr2= 367, 376,
 &end
#
#  24  ALA   QB   43 ARG+   HN  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 353, 354, 355,
 &end
#
#  24  ALA   QB   43 ARG+   QB  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 353, 354, 355,
 igr2= 667, 668,
 &end
#
#  25  TYR   HA   25  TYR   QD  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 367, 376,
 &end
#
#  25  TYR   HA   26 GLU-   HN  1.80  2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 380, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  25  TYR  HB2   26 GLU-   HN  1.80  4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 380, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  25  TYR  HB3   26 GLU-   HA  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 382, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  25  TYR  HB3   26 GLU-   HN  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 380, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  25  TYR   HN   25  TYR  HB2  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 363, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  25  TYR   HN   25  TYR  HB3  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 364, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  25  TYR   HN   25  TYR   QD  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 367, 376,
 &end
#
#  25  TYR   HN   25  TYR   QE  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 369, 374,
 &end
#
#  25  TYR   HN   26 GLU-   HN  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 380, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  25  TYR   QD   26 GLU-   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 367, 376,
 &end
#
#  25  TYR   QD   42  VAL   HA  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 367, 376,
 &end
#
#  25  TYR   QD   42  VAL   HB  1.80  3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 367, 376,
 &end
#
#  25  TYR   QD   42  VAL  QG1  1.80  4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 367, 376,
 igr2= 653, 654, 655,
 &end
#
#  25  TYR   QD   42  VAL  QG2  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 367, 376,
 igr2= 657, 658, 659,
 &end
#
#  25  TYR   QD   62  GLN   HA  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 367, 376,
 &end
#
#  25  TYR   QD   65  ALA   QB  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 367, 376,
 igr2= 986, 987, 988,
 &end
#
#  25  TYR   QE   42  VAL   HB  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 369, 374,
 &end
#
#  25  TYR   QE   42  VAL  QG1  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 369, 374,
 igr2= 653, 654, 655,
 &end
#
#  25  TYR   QE   42  VAL  QG2  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 369, 374,
 igr2= 657, 658, 659,
 &end
#
#  25  TYR   QE   62  GLN   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 369, 374,
 &end
#
#  25  TYR   QE   65  ALA   QB  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 369, 374,
 igr2= 986, 987, 988,
 &end
#
#  25  TYR   QE   66  ALA   HA  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 369, 374,
 &end
#
#  25  TYR   QE   66  ALA   HN  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 369, 374,
 &end
#
#  25  TYR   QE   66  ALA   QB  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 369, 374,
 igr2= 996, 997, 998,
 &end
#
#  26 GLU-  HB2   27  ILE   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  26 GLU-  HB3   27  ILE   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 395, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  26 GLU-  HG2   27  ILE   HN  1.80  4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 395, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  26 GLU-  HG3   27  ILE   HN  1.80  4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  26 GLU-   HN   26 GLU-  HB2  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 384, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  26 GLU-   HN   26 GLU-  HB3  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 385, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  26 GLU-   HN   26 GLU-   QG  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 387, 388,
 &end
#
#  26 GLU-   HN   27  ILE   HN  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  26 GLU-   HN   41 GLU-   HN  1.80  3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 632, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  26 GLU-   HN   42  VAL  QG2  1.80  5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 657, 658, 659,
 &end
#
#  26 GLU-   QB   41 GLU-   HN  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 384, 385,
 &end
#
#  26 GLU-   QG   27  ILE   HN  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 387, 388,
 &end
#
#  26 GLU-   QG   28 ARG+   HN  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 387, 388,
 &end
#
#  27  ILE   HA   27  ILE HG12  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 405, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  27  ILE   HA   27  ILE HG13  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 406, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  27  ILE   HA   27  ILE  QD1  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 408, 409, 410,
 &end
#
#  27  ILE   HA   27  ILE  QG2  1.80  3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 401, 402, 403,
 &end
#
#  27  ILE   HA   28 ARG+  HB2  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 418, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  27  ILE   HA   28 ARG+  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27  ILE   HA   28 ARG+   HN  1.80  2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 414, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  27  ILE   HA   40  CYS   HA  1.80  3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 623, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  27  ILE   HA   40  CYS  HB2  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 625, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  27  ILE   HA   40  CYS  HB3  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 626, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  27  ILE   HA   41 GLU-   HN  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 632, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  27  ILE   HB   27  ILE  QD1  1.80  3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 408, 409, 410,
 &end
#
#  27  ILE   HB   28 ARG+   HN  1.80  4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 414, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  27  ILE HG12   28 ARG+   HN  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 414, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  27  ILE HG12   40  CYS   HA  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 623, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  27  ILE HG12   40  CYS  HB2  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 625, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  27  ILE HG12   40  CYS  HB3  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 626, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  27  ILE HG13   40  CYS  HB2  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 625, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  27  ILE   HN   27  ILE   HB  1.80  3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  27  ILE   HN   27  ILE HG12  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 405, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  27  ILE   HN   27  ILE HG13  1.80  3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 406, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  27  ILE   HN   27  ILE  QG2  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 401, 402, 403,
 &end
#
#  27  ILE  QD1   28 ARG+   HN  1.80  5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   40  CYS   HA  1.80  5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   40  CYS  HB2  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   58 LYS+   HA  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   58 LYS+   QB  1.80  3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 408, 409, 410,
 igr2= 878, 879,
 &end
#
#  27  ILE  QD1   58 LYS+   QD  1.80  3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 408, 409, 410,
 igr2= 884, 885,
 &end
#
#  27  ILE  QD1   58 LYS+   QE  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 408, 409, 410,
 igr2= 887, 888,
 &end
#
#  27  ILE  QD1   61  ALA   QB  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 408, 409, 410,
 igr2= 934, 935, 936,
 &end
#
#  27  ILE  QD1   62  GLN  HG2  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   62  GLN  HG3  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 948, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 408, 409, 410,
 &end
#
#  27  ILE  QD1   62  GLN  QE2  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 408, 409, 410,
 igr2= 952, 953,
 &end
#
#  27  ILE  QD1   62  GLN   QG  1.80  3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 408, 409, 410,
 igr2= 947, 948,
 &end
#
#  27  ILE  QG2   27  ILE HG13  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   28 ARG+   HN  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 414, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   38  PHE  HB3  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 589, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   38  PHE   QD  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 401, 402, 403,
 igr2= 592, 600,
 &end
#
#  27  ILE  QG2   38  PHE   QE  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 401, 402, 403,
 igr2= 594, 598,
 &end
#
#  27  ILE  QG2   39  MET   HN  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   40  CYS   HA  1.80  4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   40  CYS  HB2  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   58 LYS+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   58 LYS+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 401, 402, 403,
 &end
#
#  27  ILE  QG2   58 LYS+   QD  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 401, 402, 403,
 igr2= 884, 885,
 &end
#
#  27  ILE  QG2   58 LYS+   QE  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 401, 402, 403,
 igr2= 887, 888,
 &end
#
#  27  ILE  QG2   58 LYS+   QG  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 401, 402, 403,
 igr2= 881, 882,
 &end
#
#  27  ILE  QG2   61  ALA   QB  1.80  4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 401, 402, 403,
 igr2= 934, 935, 936,
 &end
#
#  28 ARG+  HB2   29  ALA   HN  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 438, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  28 ARG+  HB2   30  VAL  QG1  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 418,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 454, 455, 456,
 &end
#
#  28 ARG+  HB2   39  MET  HB2  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 608, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  28 ARG+  HB2   39  MET  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ARG+  HB2   39  MET  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ARG+  HB3   29  ALA   HN  1.80  3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 438, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  28 ARG+  HB3   30  VAL  QG1  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 454, 455, 456,
 &end
#
#  28 ARG+  HB3   39  MET   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ARG+  HB3   39  MET  HB2  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 608, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  28 ARG+  HB3   39  MET  HB3  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 609, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  28 ARG+  HB3   39  MET  HG3  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 612, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  28 ARG+  HG2   29  ALA   HN  1.80  4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 438, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  28 ARG+  HG3   29  ALA   HN  1.80  4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 438, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  28 ARG+   HN   28 ARG+  HB2  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 418, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  28 ARG+   HN   28 ARG+  HB3  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 419, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  28 ARG+   HN   28 ARG+  HG2  1.80  4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 421, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  28 ARG+   HN   28 ARG+  HG3  1.80  4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 422, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  28 ARG+   HN   28 ARG+   QG  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 421, 422,
 &end
#
#  28 ARG+   HN   29  ALA   HN  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 438, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  28 ARG+   HN   38  PHE  HB3  1.80  5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 589, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  28 ARG+   HN   39  MET  HB2  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 608, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  28 ARG+   HN   39  MET  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 609, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ARG+   HN   39  MET  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ARG+   HN   40  CYS   HA  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 623, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  28 ARG+   QG   29  ALA   HN  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 438, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 421, 422,
 &end
#
#  29  ALA   HN   29  ALA   QB  1.80  2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 438,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 442, 443, 444,
 &end
#
#  29  ALA   QB   30  VAL   HN  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 442, 443, 444,
 &end
#
#  29  ALA   QB   36  GLN  QE2  1.80  3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 442, 443, 444,
 igr2= 557, 558,
 &end
#
#  29  ALA   QB   36  GLN   QG  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1= 442, 443, 444,
 igr2= 552, 553,
 &end
#
#  29  ALA   QB   37 LYS+   HN  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 442, 443, 444,
 &end
#
#  29  ALA   QB   38  PHE   HA  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 442, 443, 444,
 &end
#
#  29  ALA   QB   38  PHE   QD  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 442, 443, 444,
 igr2= 592, 600,
 &end
#
#  29  ALA   QB   38  PHE   QE  1.80  3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 442, 443, 444,
 igr2= 594, 598,
 &end
#
#  30  VAL   HA   30  VAL  QG1  1.80  3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 454, 455, 456,
 &end
#
#  30  VAL   HA   30  VAL  QG2  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 458, 459, 460,
 &end
#
#  30  VAL   HA   31  GLY   HN  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 464, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  30  VAL   HB   31  GLY   HN  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 464, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  30  VAL   HN   30  VAL   HB  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 452, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  30  VAL   HN   30  VAL  QG1  1.80  3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 454, 455, 456,
 &end
#
#  30  VAL   HN   30  VAL  QG2  1.80  3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 458, 459, 460,
 &end
#
#  30  VAL   HN   31  GLY   HN  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 464, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  30  VAL   HN   36  GLN   HA  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 547, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  30  VAL   HN   37 LYS+   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30  VAL   HN   37 LYS+  HB3  1.80  4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 567, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  30  VAL   HN   37 LYS+   HN  1.80  3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 562, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  30  VAL   HN   38  PHE   HA  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 586, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  30  VAL   HN   38  PHE   QD  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 592, 600,
 &end
#
#  30  VAL   HN   39  MET  HG3  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 612, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  30  VAL   HN   39  MET   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 604, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  30  VAL  QG1   31  GLY   HN  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 454, 455, 456,
 &end
#
#  30  VAL  QG1   39  MET  HG3  1.80  4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 454, 455, 456,
 &end
#
#  30  VAL  QG2   31  GLY  HA2  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   31  GLY  HA3  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   31  GLY   HN  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   37 LYS+  HB2  1.80  3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   37 LYS+  HB3  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   37 LYS+   HN  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   38  PHE   HA  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   38  PHE   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   39  MET  HG2  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   39  MET  HG3  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 458, 459, 460,
 &end
#
#  30  VAL  QG2   39  MET   HN  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 458, 459, 460,
 &end
#
#  31  GLY  HA2   32  ASN   HN  1.80  3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  31  GLY  HA2   37 LYS+  HB2  1.80  5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 566, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  31  GLY  HA3   32  ASN   HN  1.80  3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 471, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  31  GLY  HA3   37 LYS+  HB2  1.80  5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 566, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  31  GLY   HN   32  ASN   HN  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 471, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  31  GLY   HN   32  ASN   HN  4.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 471, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50,  &end
#
#  31  GLY   HN   37 LYS+  HB2  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 566, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31  GLY   QA   37 LYS+  HB2  1.80  4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 566, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 466, 467,
 &end
#
#  31  GLY   QA   37 LYS+   QD  1.80  5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 466, 467,
 igr2= 572, 573,
 &end
#
#  32  ASN   HN   32  ASN   QB  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 475, 476,
 &end
#
#  32  ASN   HN   33  LYS   HN  3.50  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 485, r1= 3.00, r2= 3.50, r3=100.00, r4=100.50,  &end
#
#  32  ASN   QB   33 LYS+   HN  1.80  3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 475, 476,
 &end
#
#  33 LYS+   HA   33 LYS+  HD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  33 LYS+   HA   33 LYS+  HD3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  33 LYS+   HA   33 LYS+  HG2  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 492, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  33 LYS+   HA   33 LYS+  HG3  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 493, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  33 LYS+  HB2   34  ASN   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 489, 507, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  33 LYS+  HB3   34  ASN   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 507, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  33 LYS+  HG2   34  ASN   HN  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 507, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  33 LYS+  HG3   34  ASN   HN  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 507, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  33 LYS+   HN   33 LYS+   QB  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 489, 490,
 &end
#
#  33 LYS+   HN   33 LYS+   QG  1.80  4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 492, 493,
 &end
#
#  33 LYS+   QB   34  ASN   HN  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 489, 490,
 &end
#
#  33 LYS+   QG   34  ASN   HN  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 492, 493,
 &end
#
#  34  ASN   HN   34  ASN   QB  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 511, 512,
 &end
#
#  34  ASN   HN   35 ARG+   HN  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  34  ASN   QB   35 ARG+   HN  1.80  3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 511, 512,
 &end
#
#  35 ARG+   HA   36  GLN   HN  1.80  2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 545, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  35 ARG+   HN   35 ARG+  HB2  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 525, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  35 ARG+   HN   35 ARG+  HB3  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 526, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  35 ARG+   HN   35 ARG+  HG2  1.80  5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  35 ARG+   HN   35 ARG+  HG3  1.80  5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 529, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  35 ARG+   HN   35 ARG+   QB  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 525, 526,
 &end
#
#  35 ARG+   HN   35 ARG+   QG  1.80  4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 528, 529,
 &end
#
#  35 ARG+   HN   36  GLN   HN  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 545, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  35 ARG+   QG   36  GLN   HN  1.80  4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 528, 529,
 &end
#
#  36  GLN   HA   36  GLN  QE2  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 557, 558,
 &end
#
#  36  GLN   HA   37 LYS+   HN  1.80  3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 562, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  36  GLN  HB2   37 LYS+   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 562, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  36  GLN  HB3   37 LYS+   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 562, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  36  GLN  HG2   37 LYS+   HN  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 562, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  36  GLN  HG3   37 LYS+   HN  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 562, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  36  GLN   HN   36  GLN  HB2  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  36  GLN   HN   36  GLN  HB3  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  36  GLN   HN   36  GLN  HG2  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 552, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  36  GLN   HN   36  GLN  HG3  1.80  4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 553, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  36  GLN   HN   36  GLN   QB  1.80  2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 549, 550,
 &end
#
#  36  GLN   HN   36  GLN   QG  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 552, 553,
 &end
#
#  36  GLN   QB   36  GLN  QE2  1.80  3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 549, 550,
 igr2= 557, 558,
 &end
#
#  36  GLN   QB   37 LYS+   HN  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 549, 550,
 &end
#
#  36  GLN   QG   37 LYS+   HN  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 552, 553,
 &end
#
#  37 LYS+   HA   38  PHE  HB2  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 588, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 LYS+   HA   38  PHE   HN  1.80  3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 584, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  37 LYS+   HA   38  PHE   QD  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 592, 600,
 &end
#
#  37 LYS+   HA   56  THR   HA  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 564, 848, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  37 LYS+   HA   56  THR  QG2  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 852, 853, 854,
 &end
#
#  37 LYS+  HB2   38  PHE   HN  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 584, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  37 LYS+  HB3   38  PHE   HN  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 584, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  37 LYS+  HB3   55  SER   HN  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 835, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  37 LYS+  HB3   56  THR   HA  1.80  5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 848, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  37 LYS+   HN   37 LYS+  HB2  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 566, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  37 LYS+   HN   37 LYS+  HB3  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  37 LYS+   HN   37 LYS+   QD  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 572, 573,
 &end
#
#  37 LYS+   HN   37 LYS+   QG  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 569, 570,
 &end
#
#  37 LYS+   HN   38  PHE   HN  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 584, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  37 LYS+   QD   38  PHE   HN  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 572, 573,
 &end
#
#  37 LYS+   QG   38  PHE   HN  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 584, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 569, 570,
 &end
#
#  38  PHE   HA   38  PHE   QD  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 592, 600,
 &end
#
#  38  PHE   HA   39  MET   HN  1.80  2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 604, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#  38  PHE  HB2   55  SER   HN  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 835, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  38  PHE  HB2   58 LYS+   HA  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 876, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  38  PHE  HB2   61  ALA   QB  1.80  3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 934, 935, 936,
 &end
#
#  38  PHE  HB3   39  MET   HN  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 604, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  38  PHE  HB3   58 LYS+   HA  1.80  4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 876, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  38  PHE  HB3   58 LYS+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 881, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  38  PHE  HB3   58 LYS+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 589, 882, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  38  PHE  HB3   61  ALA   QB  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 934, 935, 936,
 &end
#
#  38  PHE   HN   38  PHE  HB2  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 588, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  38  PHE   HN   38  PHE   QD  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 592, 600,
 &end
#
#  38  PHE   HN   38  PHE   QE  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 594, 598,
 &end
#
#  38  PHE   HN   39  MET  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  38  PHE   HN   39  MET  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  38  PHE   HN   39  MET   HN  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 604, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  38  PHE   HN   54  ASN   HA  1.80  4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 823, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  38  PHE   HN   55  SER   HN  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 835, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  38  PHE   HN   56  THR   HA  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 848, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  38  PHE   HN   56  THR  QG2  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 852, 853, 854,
 &end
#
#  38  PHE   HN   61  ALA   QB  1.80  5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 934, 935, 936,
 &end
#
#  38  PHE   QD   39  MET   HN  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 604, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   56  THR   HA  1.80  5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   57  ASN   HA  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   57  ASN   HN  1.80  4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+   HA  1.80  4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 876, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+  HE2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+  HE3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+   HN  1.80  4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 592, 600,
 &end
#
#  38  PHE   QD   58 LYS+   QD  1.80  4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 592, 600,
 igr2= 884, 885,
 &end
#
#  38  PHE   QD   61  ALA   QB  1.80  4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 592, 600,
 igr2= 934, 935, 936,
 &end
#
#  38  PHE   QE   57  ASN   HA  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HD3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HE2  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HE3  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 881, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+  HG3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 882, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+   HN  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 594, 598,
 &end
#
#  38  PHE   QE   58 LYS+   QE  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 594, 598,
 igr2= 887, 888,
 &end
#
#  39  MET   HA   40  CYS  HB3  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 626, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  39  MET   HA   40  CYS   HN  1.80  2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 621, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  39  MET   HA   53  GLY   HN  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 814, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  39  MET   HA   54  ASN   HA  1.80  3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 823, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  39  MET   HA   54  ASN  HB2  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 825, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  39  MET   HA   54  ASN  HB3  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 826, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  39  MET   HA   54  ASN   QB  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 825, 826,
 &end
#
#  39  MET   HA   55  SER   HN  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 835, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  39  MET   HA   61  ALA   QB  1.80  4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 934, 935, 936,
 &end
#
#  39  MET  HB2   40  CYS   HN  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  39  MET  HB3   40  CYS   HN  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 621, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  39  MET  HG2   55  SER   HN  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 835, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  39  MET  HG3   39  MET   QE  1.80  3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 615, 616, 617,
 &end
#
#  39  MET   HN   39  MET  HB2  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  39  MET   HN   39  MET  HB3  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  39  MET   HN   39  MET  HG3  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 612, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  39  MET   HN   61  ALA   QB  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 934, 935, 936,
 &end
#
#  40  CYS   HA   41 GLU-   HN  1.80  3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 623, 632, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  40  CYS   HA   61  ALA   QB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 623,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 934, 935, 936,
 &end
#
#  40  CYS  HB2   41 GLU-   HN  1.80  4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  40  CYS  HB2   61  ALA   QB  1.80  3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 934, 935, 936,
 &end
#
#  40  CYS  HB2   62  GLN   HA  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 942, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  40  CYS  HB2   65  ALA   QB  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 986, 987, 988,
 &end
#
#  40  CYS  HB3   41 GLU-   HN  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 632, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  40  CYS  HB3   53  GLY   HN  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 814, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  40  CYS  HB3   61  ALA   QB  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 934, 935, 936,
 &end
#
#  40  CYS  HB3   62  GLN   HA  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 942, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  40  CYS  HB3   65  ALA   QB  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 986, 987, 988,
 &end
#
#  40  CYS   HN   40  CYS  HB2  1.80  3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 625, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  40  CYS   HN   40  CYS  HB3  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 626, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  40  CYS   HN   53  GLY   HN  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 814, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  40  CYS   HN   54  ASN   HA  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 621, 823, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  40  CYS   HN   54  ASN   QB  1.80  4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 825, 826,
 &end
#
#  40  CYS   HN   61  ALA   QB  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 934, 935, 936,
 &end
#
#  41 GLU-   HA   41 GLU-  HG2  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 639, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  41 GLU-   HA   41 GLU-  HG3  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 640, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  41 GLU-   HA   41 GLU-   QG  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 639, 640,
 &end
#
#  41 GLU-   HA   42  VAL   HN  1.80  3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 647, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  41 GLU-   HA   42  VAL  QG1  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 653, 654, 655,
 &end
#
#  41 GLU-   HA   52  MET   HA  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 799, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  41 GLU-   HA   53  GLY   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 814, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  41 GLU-   HA   65  ALA   QB  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 986, 987, 988,
 &end
#
#  41 GLU-  HB2   42  VAL   HN  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 647, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  41 GLU-  HB3   42  VAL   HN  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 647, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  41 GLU-   HN   41 GLU-  HB2  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  41 GLU-   HN   41 GLU-  HB3  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 637, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  41 GLU-   HN   41 GLU-  HG2  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 639, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  41 GLU-   HN   41 GLU-  HG3  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 640, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  41 GLU-   HN   41 GLU-   QG  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 639, 640,
 &end
#
#  41 GLU-   HN   65  ALA   QB  1.80  5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 986, 987, 988,
 &end
#
#  41 GLU-   QB   42  VAL   HN  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 636, 637,
 &end
#
#  41 GLU-   QB   50  ALA   QB  1.80  3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 636, 637,
 igr2= 784, 785, 786,
 &end
#
#  41 GLU-   QG   42  VAL   HN  1.80  5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 647, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 639, 640,
 &end
#
#  42  VAL   HA   42  VAL  QG1  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 653, 654, 655,
 &end
#
#  42  VAL   HA   42  VAL  QG2  1.80  3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 657, 658, 659,
 &end
#
#  42  VAL   HA   43 ARG+   HN  1.80  2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#  42  VAL   HB   43 ARG+   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 663, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  42  VAL   HN   42  VAL   HB  1.80  3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 651, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  42  VAL   HN   42  VAL  QG1  1.80  3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 653, 654, 655,
 &end
#
#  42  VAL   HN   42  VAL  QG2  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 657, 658, 659,
 &end
#
#  42  VAL   HN   43 ARG+   HN  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 663, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  42  VAL   HN   50  ALA   QB  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 784, 785, 786,
 &end
#
#  42  VAL   HN   51  GLY   HN  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 790, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  42  VAL   HN   51  GLY   QA  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 792, 793,
 &end
#
#  42  VAL   HN   52  MET   HA  1.80  4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 647, 799, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  42  VAL   HN   65  ALA   QB  1.80  3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 647,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 986, 987, 988,
 &end
#
#  42  VAL  QG1   43 ARG+   HN  1.80  4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   44  VAL  QG2  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 653, 654, 655,
 igr2= 697, 698, 699,
 &end
#
#  42  VAL  QG1   50  ALA   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   51  GLY   HN  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   51  GLY   QA  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 653, 654, 655,
 igr2= 792, 793,
 &end
#
#  42  VAL  QG1   52  MET   HA  1.80  5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   52  MET   HN  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   65  ALA   QB  1.80  3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 653, 654, 655,
 igr2= 986, 987, 988,
 &end
#
#  42  VAL  QG1   66  ALA   HA  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   66  ALA   HN  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   66  ALA   QB  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 653, 654, 655,
 igr2= 996, 997, 998,
 &end
#
#  42  VAL  QG1   69  PHE   HA  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   69  PHE  HB2  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   69  PHE  HB3  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   69  PHE   HN  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG1   69  PHE   QB  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 653, 654, 655,
 igr2=1042,1043,
 &end
#
#  42  VAL  QG1   69  PHE   QD  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 653, 654, 655,
 igr2=1046,1054,
 &end
#
#  42  VAL  QG1   70  VAL   HN  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 653, 654, 655,
 &end
#
#  42  VAL  QG2   43 ARG+   HN  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 657, 658, 659,
 &end
#
#  42  VAL  QG2   44  VAL  QG2  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 657, 658, 659,
 igr2= 697, 698, 699,
 &end
#
#  42  VAL  QG2   65  ALA   QB  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 657, 658, 659,
 igr2= 986, 987, 988,
 &end
#
#  42  VAL  QG2   66  ALA   HA  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 657, 658, 659,
 &end
#
#  42  VAL  QG2   66  ALA   QB  1.80  5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.51, r4= 8.01,
 igr1= 657, 658, 659,
 igr2= 996, 997, 998,
 &end
#
#  43 ARG+   HA   43 ARG+  HG2  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 670, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  43 ARG+   HA   43 ARG+  HG3  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 671, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  43 ARG+   HA   43 ARG+   QG  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 670, 671,
 &end
#
#  43 ARG+   HA   44  VAL   HN  1.80  3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 687, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  43 ARG+  HB2   44  VAL   HN  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 687, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  43 ARG+  HB3   44  VAL   HN  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 687, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  43 ARG+   HE   50  ALA   QB  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 784, 785, 786,
 &end
#
#  43 ARG+  HG2   50  ALA   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ARG+  HG2   50  ALA   QB  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 784, 785, 786,
 &end
#
#  43 ARG+  HG3   50  ALA   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ARG+  HG3   50  ALA   QB  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 784, 785, 786,
 &end
#
#  43 ARG+   HN   43 ARG+   QB  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 667, 668,
 &end
#
#  43 ARG+   HN   43 ARG+   QG  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 670, 671,
 &end
#
#  43 ARG+   HN   44  VAL   HN  1.80  4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 687, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  43 ARG+   QB   43 ARG+   QD  1.80  3.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 667, 668,
 igr2= 673, 674,
 &end
#
#  43 ARG+   QG   44  VAL   HN  1.80  4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 670, 671,
 &end
#
#  43 ARG+   QG   50  ALA   QB  1.80  3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 670, 671,
 igr2= 784, 785, 786,
 &end
#
#  43 ARG+   QG   51  GLY   HN  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 670, 671,
 &end
#
#  44  VAL   HA   44  VAL  QG1  1.80  3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 693, 694, 695,
 &end
#
#  44  VAL   HA   44  VAL  QG2  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 697, 698, 699,
 &end
#
#  44  VAL   HA   45 GLU-   HN  1.80  2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 703, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  44  VAL   HB   47  PHE  HB2  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 729, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  44  VAL   HB   47  PHE  HB3  1.80  4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 730, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  44  VAL   HB   47  PHE   HN  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 725, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  44  VAL   HB   47  PHE   QD  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 733, 741,
 &end
#
#  44  VAL   HB   69  PHE   HZ  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 691,1050, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  44  VAL   HB   69  PHE   QE  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1048,1052,
 &end
#
#  44  VAL   HN   44  VAL   HB  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 691, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  44  VAL   HN   44  VAL  QG1  1.80  3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 693, 694, 695,
 &end
#
#  44  VAL   HN   44  VAL  QG2  1.80  3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 697, 698, 699,
 &end
#
#  44  VAL   HN   45 GLU-   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 703, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  44  VAL   HN   47  PHE  HB2  1.80  4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 729, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  44  VAL   HN   47  PHE   HN  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 725, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  44  VAL   HN   69  PHE   HZ  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 687,1050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  44  VAL   HN   69  PHE   QD  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1046,1054,
 &end
#
#  44  VAL   HN   69  PHE   QE  1.80  4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1048,1052,
 &end
#
#  44  VAL  QG1   45 GLU-  HB2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   45 GLU-  HB3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   45 GLU-   HN  1.80  3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   47  PHE  HB2  1.80  5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   47  PHE   HN  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   47  PHE   HZ  1.80  5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 737, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG1   47  PHE   QD  1.80  3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 693, 694, 695,
 igr2= 733, 741,
 &end
#
#  44  VAL  QG1   47  PHE   QE  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 693, 694, 695,
 igr2= 735, 739,
 &end
#
#  44  VAL  QG1   69  PHE   HZ  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 693, 694, 695,
 &end
#
#  44  VAL  QG2   45 GLU-   HN  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 697, 698, 699,
 &end
#
#  44  VAL  QG2   47  PHE   QD  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 697, 698, 699,
 igr2= 733, 741,
 &end
#
#  44  VAL  QG2   69  PHE   HZ  1.80  3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 697, 698, 699,
 &end
#
#  44  VAL  QG2   69  PHE   QD  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 697, 698, 699,
 igr2=1046,1054,
 &end
#
#  44  VAL  QG2   69  PHE   QE  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 697, 698, 699,
 igr2=1048,1052,
 &end
#
#  45 GLU-   HA   45 GLU-   QG  1.80  3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 710, 711,
 &end
#
#  45  GLU   HA   46  GLY   HN  1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  45 GLU-   HA   46  GLY   HN  1.80  2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 718, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  45 GLU-   HA   47  PHE   HN  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 725, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  45 GLU-  HB2   46  GLY   HN  1.80  5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  45 GLU-  HB3   46  GLY   HN  1.80  5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  45 GLU-  HG2   46  GLY   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 710, 718, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  45 GLU-  HG3   46  GLY   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 711, 718, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  45 GLU-   HN   45 GLU-  HB2  1.80  3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  45 GLU-   HN   45 GLU-  HB3  1.80  3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 708, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  45 GLU-   HN   45 GLU-  HG2  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 710, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  45 GLU-   HN   45 GLU-  HG3  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 711, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  45 GLU-   HN   45 GLU-   QB  1.80  2.79
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2= 707, 708,
 &end
#
#  45 GLU-   HN   45 GLU-   QG  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 703,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 710, 711,
 &end
#
#  45  GLU   HN   46  GLY   HN  4.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 703, 718, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50,  &end
#
#  45 GLU-   QB   46  GLY   HN  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 707, 708,
 &end
#
#  45 GLU-   QG   46  GLY   HN  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 710, 711,
 &end
#
#  45 GLU-   QG   46  GLY   QA  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 710, 711,
 igr2= 720, 721,
 &end
#
#  46  GLY   HN   47  PHE   HN  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 725, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  47  PHE   HA   47  PHE   QD  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 727,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 733, 741,
 &end
#
#  47  PHE  HB2   49  TYR   HN  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 759, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  47  PHE  HB2   69  PHE   HZ  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 729,1050, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  47  PHE  HB2   72  TYR   QE  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 729,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1098,1103,
 &end
#
#  47  PHE  HB3   49  TYR   HN  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 730, 759, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  47  PHE  HB3   69  PHE   HZ  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 730,1050, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  47  PHE  HB3   72  TYR   QE  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1098,1103,
 &end
#
#  47  PHE   HN   47  PHE  HB2  1.80  3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  47  PHE   HN   47  PHE  HB3  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  47  PHE   HN   47  PHE   QD  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 733, 741,
 &end
#
#  47  PHE   HN   48  ASN   HN  4.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 745, r1= 3.50, r2= 4.00, r3=100.00, r4=100.50,  &end
#
#  47  PHE   HN   69  PHE   HZ  1.80  5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 725,1050, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  47  PHE   HZ   73  LEU  QD2  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1122,1123,1124,
 &end
#
#  47  PHE   HZ   76  ILE  QD1  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2=1181,1182,1183,
 &end
#
#  47  PHE   HZ   78 GLU-   QG  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1208,1209,
 &end
#
#  47  PHE   QD   69  PHE   HZ  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 733, 741,
 &end
#
#  47  PHE   QD   72  TYR   QE  1.80  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 733, 741,
 igr2=1098,1103,
 &end
#
#  47  PHE   QD   73  LEU  QD2  1.80  4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 733, 741,
 igr2=1122,1123,1124,
 &end
#
#  47  PHE   QD   76  ILE  QD1  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 733, 741,
 igr2=1181,1182,1183,
 &end
#
#  47  PHE   QE   73  LEU  QD2  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 735, 739,
 igr2=1122,1123,1124,
 &end
#
#  47  PHE   QE   76  ILE  QD1  1.80  3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 735, 739,
 igr2=1181,1182,1183,
 &end
#
#  47  PHE   QE   78 GLU-   QG  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 735, 739,
 igr2=1208,1209,
 &end
#
#  48  ASN   HA   49  TYR   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 747, 759, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  48  ASN  HB2   49  TYR   HN  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  48  ASN  HB3   49  TYR   HN  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 750, 759, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  48  ASN   HN   49  TYR   QB  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 745,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 763, 764,
 &end
#
#  48  ASN   QB   49  TYR   HN  1.80  3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 759, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 749, 750,
 &end
#
#  49  TYR   HA   49  TYR   QD  1.80  3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 767, 776,
 &end
#
#  49  TYR   HA   50  ALA   HN  1.80  2.85
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 780, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#  49  TYR   HA   50  ALA   QB  1.80  4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 784, 785, 786,
 &end
#
#  49  TYR  HB2   50  ALA   HN  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 763, 780, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  49  TYR  HB2   72  TYR   QD  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1096,1105,
 &end
#
#  49  TYR  HB3   50  ALA   HN  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 780, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  49  TYR  HB3   72  TYR   QD  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1096,1105,
 &end
#
#  49  TYR   HN   49  TYR  HB2  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 763, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  49  TYR   HN   49  TYR  HB3  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 764, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  49  TYR   HN   72  TYR   QD  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1096,1105,
 &end
#
#  49  TYR   HN   72  TYR   QE  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 759,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1098,1103,
 &end
#
#  49  TYR   QB   50  ALA   HN  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 763, 764,
 &end
#
#  49  TYR   QB   69  PHE   QD  1.80  5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 763, 764,
 igr2=1046,1054,
 &end
#
#  49  TYR   QB   72  TYR   QD  1.80  4.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 763, 764,
 igr2=1096,1105,
 &end
#
#  49  TYR   QB   72  TYR   QE  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 763, 764,
 igr2=1098,1103,
 &end
#
#  49  TYR   QD   50  ALA   HN  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 767, 776,
 &end
#
#  49  TYR   QD   69  PHE   QD  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 767, 776,
 igr2=1046,1054,
 &end
#
#  49  TYR   QD   69  PHE   QE  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 767, 776,
 igr2=1048,1052,
 &end
#
#  49  TYR   QD   72  TYR   HN  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 767, 776,
 &end
#
#  49  TYR   QD   72  TYR   QB  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 767, 776,
 igr2=1092,1093,
 &end
#
#  49  TYR   QD   72  TYR   QD  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 767, 776,
 igr2=1096,1105,
 &end
#
#  49  TYR   QD   73  LEU   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 767, 776,
 &end
#
#  49  TYR   QE   51  GLY   QA  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 769, 774,
 igr2= 792, 793,
 &end
#
#  49  TYR   QE   52  MET   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 797, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 769, 774,
 &end
#
#  49  TYR   QE   68 ASP-   QB  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 769, 774,
 igr2=1030,1031,
 &end
#
#  49  TYR   QE   69  PHE   HA  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 769, 774,
 &end
#
#  49  TYR   QE   69  PHE   HN  1.80  4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 769, 774,
 &end
#
#  49  TYR   QE   72  TYR  HB2  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 769, 774,
 &end
#
#  49  TYR   QE   72  TYR  HB3  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1093, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 769, 774,
 &end
#
#  49  TYR   QE   72  TYR   QB  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 769, 774,
 igr2=1092,1093,
 &end
#
#  49  TYR   QE   72  TYR   QD  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 769, 774,
 igr2=1096,1105,
 &end
#
#  50  ALA   HA   51  GLY   HN  1.80  3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 790, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  50  ALA   HN   50  ALA   QB  1.80  3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 784, 785, 786,
 &end
#
#  50  ALA   QB   51  GLY   HN  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 784, 785, 786,
 &end
#
#  51  GLY  HA2   69  PHE   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 792,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51  GLY  HA2   69  PHE   HN  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 792,1038, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  51  GLY  HA2   69  PHE   QD  1.80  5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1046,1054,
 &end
#
#  51  GLY  HA3   69  PHE   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 793,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  51  GLY  HA3   69  PHE   HN  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 793,1038, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  51  GLY  HA3   69  PHE   QD  1.80  5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1046,1054,
 &end
#
#  51  GLY   HN   52  MET   HN  1.80  4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 797, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  51  GLY   HN   69  PHE   QD  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1046,1054,
 &end
#
#  51  GLY   HN   69  PHE   QE  1.80  4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1048,1052,
 &end
#
#  51  GLY   QA   68 ASP-   QB  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 792, 793,
 igr2=1030,1031,
 &end
#
#  51  GLY   QA   69  PHE   HA  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 792, 793,
 &end
#
#  51  GLY   QA   69  PHE   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 792, 793,
 &end
#
#  51  GLY   QA   69  PHE   QB  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 792, 793,
 igr2=1042,1043,
 &end
#
#  51  GLY   QA   69  PHE   QD  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 792, 793,
 igr2=1046,1054,
 &end
#
#  52  MET   HA   52  MET  HG2  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 804, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  52  MET   HA   52  MET  HG3  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 805, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  52  MET   HA   53  GLY   HN  1.80  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 814, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52  MET   HA   65  ALA   HA  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 984, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  52  MET   HA   65  ALA   QB  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 799,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 986, 987, 988,
 &end
#
#  52  MET  HB2   53  GLY   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 814, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  52  MET  HB3   53  GLY   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 814, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  52  MET  HG2   53  GLY   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52  MET  HG3   53  GLY   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 805, 814, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52  MET   HN   52  MET  HB2  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 801, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  52  MET   HN   52  MET  HB3  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 802, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  52  MET   HN   52  MET  HG2  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 804, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  52  MET   HN   52  MET  HG3  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 805, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  52  MET   HN   52  MET   QB  1.80  3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 801, 802,
 &end
#
#  52  MET   HN   52  MET   QG  1.80  3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 797,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 804, 805,
 &end
#
#  52  MET   HN   53  GLY   HN  1.80  5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 814, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  52  MET   HN   65  ALA   HA  1.80  4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 797, 984, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  52  MET   HN   68 ASP-  HB2  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 797,1030, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  52  MET   HN   68 ASP-  HB3  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 797,1031, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  52  MET   HN   69  PHE   HN  1.80  4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 797,1038, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  52  MET   QB   53  GLY   HN  1.80  3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 801, 802,
 &end
#
#  53  GLY  HA2   54  ASN   HN  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 821, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  53  GLY  HA2   64  ASN  HB2  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 972, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53  GLY  HA2   64  ASN  HB3  1.80  4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 973, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  53  GLY  HA2   64  ASN   QB  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 972, 973,
 &end
#
#  53  GLY  HA2   65  ALA   HN  1.80  4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 816, 982, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  53  GLY  HA2   65  ALA   QB  1.80  4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 816,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 986, 987, 988,
 &end
#
#  53  GLY  HA3   54  ASN   HN  1.80  3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 821, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  53  GLY  HA3   64  ASN  HB2  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 972, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  53  GLY  HA3   64  ASN  HB3  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 973, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  53  GLY  HA3   64  ASN   HN  1.80  4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 968, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  53  GLY  HA3   65  ALA   HN  1.80  3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 817, 982, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  53  GLY  HA3   65  ALA   QB  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 986, 987, 988,
 &end
#
#  53  GLY   HN   54  ASN   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 823, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53  GLY   HN   65  ALA   HA  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 984, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  53  GLY   HN   65  ALA   HN  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 982, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  53  GLY   HN   65  ALA   QB  1.80  3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 986, 987, 988,
 &end
#
#  54  ASN   HA   55  SER   HN  1.80  2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 835, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  54  ASN   HA   61  ALA   HA  1.80  4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 932, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  54  ASN   HA   61  ALA   QB  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 934, 935, 936,
 &end
#
#  54  ASN  HB2   55  SER   HN  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 835, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  54  ASN  HB3   55  SER   HN  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 826, 835, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  54  ASN   HN   54  ASN   HA  2.80  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 823, r1= 2.30, r2= 2.80, r3=100.00, r4=100.50,  &end
#
#  54  ASN   HN   54  ASN  QD2  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 830, 831,
 &end
#
#  54  ASN   HN   55  SER   HN  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 835, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  54  ASN   HN   61  ALA   HA  1.80  5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 932, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  54  ASN   HN   61  ALA   QB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 934, 935, 936,
 &end
#
#  54  ASN   HN   64  ASN  HB2  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 972, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  54  ASN   HN   64  ASN  HB3  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 821, 973, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  54  ASN   HN   64  ASN   QB  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 972, 973,
 &end
#
#  54  ASN   HN   64  ASN  QD2  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 821,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 977, 978,
 &end
#
#  54  ASN   QB   54  ASN  QD2  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 825, 826,
 igr2= 830, 831,
 &end
#
#  54  ASN   QB   55  SER   HN  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 825, 826,
 &end
#
#  55  SER  HB2   60 ASP-  HB2  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 922, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  55  SER  HB2   60 ASP-  HB3  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 923, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  55  SER  HB2   61  ALA   HN  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  55  SER  HB2   61  ALA   QB  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 934, 935, 936,
 &end
#
#  55  SER  HB3   60 ASP-  HB2  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 922, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  55  SER  HB3   60 ASP-  HB3  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 923, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  55  SER  HB3   61  ALA   HN  1.80  3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  55  SER  HB3   61  ALA   QB  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 934, 935, 936,
 &end
#
#  55  SER   HG   57  ASN   HN  1.80  5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  55  SER   HG   60 ASP-  HB2  1.80  5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 922, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,  &end
#
#  55  SER   HG   60 ASP-  HB3  1.80  5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 923, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  55  SER   HG   64  ASN HD21  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 977, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55  SER   HG   64  ASN HD22  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 978, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55  SER   HN   55  SER   QB  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 839, 840,
 &end
#
#  55  SER   HN   61  ALA   QB  1.80  3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 934, 935, 936,
 &end
#
#  55  SER   QB   57  ASN   HN  1.80  3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 839, 840,
 &end
#
#  55  SER   QB   60 ASP-  HB2  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 839, 840,
 &end
#
#  55  SER   QB   60 ASP-  HB3  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 839, 840,
 &end
#
#  55  SER   QB   61  ALA   HA  1.80  4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 932, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 839, 840,
 &end
#
#  55  SER   QB   61  ALA   HN  1.80  3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 839, 840,
 &end
#
#  55  SER   QB   61  ALA   QB  1.80  3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 839, 840,
 igr2= 934, 935, 936,
 &end
#
#  55  SER   QB   64  ASN  QD2  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 839, 840,
 igr2= 977, 978,
 &end
#
#  56  THR   HA   56  THR  QG2  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 852, 853, 854,
 &end
#
#  56  THR   HN   56  THR  HG1  1.80  4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  56  THR   HN   56  THR  QG2  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 852, 853, 854,
 &end
#
#  56  THR   HN   57  ASN   HN  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 860, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  56  THR   HN   57  ASN   HN  2.00  100.0
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 860, r1= 1.50, r2= 2.00, r3=100.00, r4=100.50,  &end
#
#  56  THR  QG2   56  THR  HG1  1.80  3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 852, 853, 854,
 &end
#
#  56  THR  QG2   57  ASN   HN  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 860, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 852, 853, 854,
 &end
#
#  57  ASN   HA   58 LYS+   HA  1.80  5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 876, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  57  ASN   HA   58 LYS+   HN  1.80  3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 874, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  57  ASN  HB2   58 LYS+   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 864, 874, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  57  ASN  HB3   58 LYS+   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 865, 874, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  57  ASN   HN   61  ALA   HN  1.80  4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 860, 930, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  57  ASN   HN   61  ALA   QB  1.80  4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 860,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 934, 935, 936,
 &end
#
#  57  ASN   QB   57  ASN  QD2  1.80  3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 864, 865,
 igr2= 869, 870,
 &end
#
#  57  ASN   QB   58 LYS+   HN  1.80  3.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 874, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr1= 864, 865,
 &end
#
#  57  ASN   QB   59 LYS+   HN  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 864, 865,
 &end
#
#  57  ASN  QD2   60 ASP-  HB2  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 869, 870,
 &end
#
#  57  ASN  QD2   60 ASP-  HB3  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 869, 870,
 &end
#
#  57  ASN  QD2   60 ASP-   HN  1.80  5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 869, 870,
 &end
#
#  58 LYS+   HA   58 LYS+  HG2  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 881, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 LYS+   HA   58 LYS+  HG3  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 882, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 LYS+   HA   58 LYS+   QG  1.80  3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 881, 882,
 &end
#
#  58 LYS+   HA   61  ALA   HN  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 930, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  58 LYS+   HA   61  ALA   QB  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 934, 935, 936,
 &end
#
#  58 LYS+   HA   62  GLN   HN  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 876, 940, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  58 LYS+  HB2   59 LYS+   HN  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 896, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 LYS+  HB3   59 LYS+   HN  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 879, 896, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 LYS+  HG2   59 LYS+   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 881, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 LYS+  HG3   59 LYS+   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 882, 896, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 LYS+   HN   58 LYS+  HB2  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 878, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  58 LYS+   HN   58 LYS+  HB3  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 879, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  58 LYS+   HN   58 LYS+  HD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 LYS+   HN   58 LYS+  HD3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 LYS+   HN   58 LYS+  HG2  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 881, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  58 LYS+   HN   58 LYS+  HG3  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 882, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  58 LYS+   HN   58 LYS+   QB  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 878, 879,
 &end
#
#  58 LYS+   HN   58 LYS+   QD  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 884, 885,
 &end
#
#  58 LYS+   HN   58 LYS+   QG  1.80  3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 881, 882,
 &end
#
#  58 LYS+   HN   59 LYS+   HN  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 874, 896, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  58 LYS+   QB   58 LYS+   QD  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 878, 879,
 igr2= 884, 885,
 &end
#
#  58 LYS+   QB   58 LYS+   QE  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 878, 879,
 igr2= 887, 888,
 &end
#
#  58 LYS+   QB   59 LYS+   QB  1.80  5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 878, 879,
 igr2= 900, 901,
 &end
#
#  58 LYS+   QG   58 LYS+   QE  1.80  3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 881, 882,
 igr2= 887, 888,
 &end
#
#  58 LYS+   QG   59 LYS+   HN  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 881, 882,
 &end
#
#  59 LYS+   HA   59 LYS+   QG  1.80  3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 903, 904,
 &end
#
#  59 LYS+   HA   62  GLN   HN  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 940, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  59 LYS+   HA   62  GLN   QB  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 944, 945,
 &end
#
#  59 LYS+   HA   62  GLN   QG  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 898,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 947, 948,
 &end
#
#  59 LYS+   HA   63  SER   HN  1.80  5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 957, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  59 LYS+  HB2   60 ASP-   HN  1.80  4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 918, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  59 LYS+  HB2   61  ALA   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+  HB3   60 ASP-   HN  1.80  4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 918, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  59 LYS+  HB3   61  ALA   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 930, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+  HG2   60 ASP-   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+  HG3   60 ASP-   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 918, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+   HN   59 LYS+  HD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+   HN   59 LYS+  HD3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 907, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  59 LYS+   HN   59 LYS+  HG2  1.80  5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 903, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  59 LYS+   HN   59 LYS+  HG3  1.80  5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 904, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  59 LYS+   HN   59 LYS+   QB  1.80  2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 900, 901,
 &end
#
#  59 LYS+   HN   59 LYS+   QG  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 903, 904,
 &end
#
#  59 LYS+   HN   60 ASP-  HB2  1.80  5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 922, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  59 LYS+   HN   60 ASP-   HN  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 918, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  59 LYS+   QB   60 ASP-   HA  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 900, 901,
 &end
#
#  59 LYS+   QB   60 ASP-   HN  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 900, 901,
 &end
#
#  59 LYS+   QG   60 ASP-   HN  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 918, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 903, 904,
 &end
#
#  60 ASP-   HA   63  SER  HB2  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 961, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  60 ASP-   HA   63  SER  HB3  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 962, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  60 ASP-   HA   63  SER   HN  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 920, 957, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  60 ASP-   HA   63  SER   QB  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 961, 962,
 &end
#
#  60 ASP-  HB2   61  ALA   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 922, 930, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  60 ASP-  HB3   61  ALA   HN  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  60 ASP-  HB3   61  ALA   QB  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 934, 935, 936,
 &end
#
#  60 ASP-  HB3   64  ASN  QD2  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 977, 978,
 &end
#
#  60 ASP-   HN   60 ASP-  HB2  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 922, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  60 ASP-   HN   60 ASP-  HB3  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 923, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  60 ASP-   HN   61  ALA   HN  1.80  3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 930, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  60 ASP-   HN   62  GLN   HN  1.80  4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 918, 940, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  61  ALA   HA   64  ASN  HB2  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 972, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  61  ALA   HA   64  ASN  HB3  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 973, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  61  ALA   HA   64  ASN HD21  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 977, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  61  ALA   HA   64  ASN HD22  1.80  4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 978, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  61  ALA   HA   64  ASN   HN  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 968, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  61  ALA   HA   64  ASN   QB  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 972, 973,
 &end
#
#  61  ALA   HA   64  ASN  QD2  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 932,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 977, 978,
 &end
#
#  61  ALA   HA   65  ALA   HN  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 932, 982, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  61  ALA   HN   61  ALA   QB  1.80  3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 934, 935, 936,
 &end
#
#  61  ALA   HN   62  GLN   HN  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 940, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  61  ALA   HN   64  ASN   HN  1.80  5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 968, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  61  ALA   QB   62  GLN   HN  1.80  3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 934, 935, 936,
 &end
#
#  62  GLN   HA   65  ALA   HN  1.80  3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 982, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  62  GLN   HA   65  ALA   QB  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 986, 987, 988,
 &end
#
#  62  GLN   HA   66  ALA   HN  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 942, 992, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  62  GLN  HB2   63  SER   HN  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 957, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  62  GLN  HB2   64  ASN   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62  GLN  HB3   63  SER   HN  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  62  GLN  HB3   64  ASN   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62  GLN   HN   62  GLN  HB2  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  62  GLN   HN   62  GLN  HB3  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 945, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  62  GLN   HN   62  GLN  HG2  1.80  4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 947, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  62  GLN   HN   62  GLN  HG3  1.80  4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 948, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  62  GLN   HN   62  GLN   QB  1.80  3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 944, 945,
 &end
#
#  62  GLN   HN   62  GLN   QG  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 947, 948,
 &end
#
#  62  GLN   HN   63  SER   HN  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 957, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  62  GLN   HN   64  ASN   HN  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 940, 968, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  62  GLN   QB   63  SER   HN  1.80  3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 944, 945,
 &end
#
#  62  GLN   QB   64  ASN   HN  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 944, 945,
 &end
#
#  62  GLN   QG   63  SER   HN  1.80  4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 947, 948,
 &end
#
#  63  SER  HB2   64  ASN   HN  1.80  4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 961, 968, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  63  SER  HB3   64  ASN   HN  1.80  4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 968, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  63  SER   HN   64  ASN   HN  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 957, 968, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  63  SER   HN   65  ALA   QB  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 986, 987, 988,
 &end
#
#  63  SER   QB   64  ASN   HN  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 961, 962,
 &end
#
#  64  ASN   HA   67 ARG+   HN  1.80  4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 970,1002, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  64  ASN  HB2   65  ALA   HN  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 972, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  64  ASN  HB2   65  ALA   QB  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 986, 987, 988,
 &end
#
#  64  ASN  HB3   65  ALA   HN  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 973, 982, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  64  ASN  HB3   65  ALA   QB  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 973,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 986, 987, 988,
 &end
#
#  64  ASN   HN   64  ASN  HB2  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  64  ASN   HN   64  ASN  HB3  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 973, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  64  ASN   HN   64  ASN HD21  1.80  5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 977, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  64  ASN   HN   64  ASN HD22  1.80  5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 978, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  64  ASN   HN   64  ASN  QD2  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 977, 978,
 &end
#
#  64  ASN   HN   65  ALA   HN  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 982, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  64  ASN   HN   65  ALA   QB  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 986, 987, 988,
 &end
#
#  64  ASN   HN   66  ALA   HN  1.80  4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 968, 992, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  64  ASN   HN   66  ALA   QB  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 996, 997, 998,
 &end
#
#  64  ASN   QB   65  ALA   HN  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 972, 973,
 &end
#
#  64  ASN   QB   65  ALA   QB  1.80  4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 972, 973,
 igr2= 986, 987, 988,
 &end
#
#  65  ALA   HA   68 ASP-  HB2  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1030, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  65  ALA   HA   68 ASP-  HB3  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1031, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  65  ALA   HA   68 ASP-   HN  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1026, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  65  ALA   HA   68 ASP-   QB  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1030,1031,
 &end
#
#  65  ALA   HA   69  PHE   HN  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1038, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  65  ALA   HN   65  ALA   QB  1.80  3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 986, 987, 988,
 &end
#
#  65  ALA   HN   66  ALA   HN  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 992, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  65  ALA   HN   66  ALA   QB  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 996, 997, 998,
 &end
#
#  65  ALA   QB   66  ALA   HA  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 986, 987, 988,
 &end
#
#  65  ALA   QB   66  ALA   HN  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 992, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 986, 987, 988,
 &end
#
#  65  ALA   QB   66  ALA   QB  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 986, 987, 988,
 igr2= 996, 997, 998,
 &end
#
#  65  ALA   QB   68 ASP-   QB  1.80  5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1= 986, 987, 988,
 igr2=1030,1031,
 &end
#
#  66  ALA   HA   69  PHE  HB2  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1042, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  66  ALA   HA   69  PHE  HB3  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1043, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  66  ALA   HA   69  PHE   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1038, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  66  ALA   HA   69  PHE   QB  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1042,1043,
 &end
#
#  66  ALA   HA   70  VAL   HN  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 994,1058, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  66  ALA   HA   70  VAL  QG2  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1068,1069,1070,
 &end
#
#  66  ALA   HN   66  ALA   QB  1.80  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 996, 997, 998,
 &end
#
#  66  ALA   HN   67 ARG+   HN  1.80  3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1002, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  66  ALA   QB   67 ARG+   HA  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 996, 997, 998,
 &end
#
#  66  ALA   QB   67 ARG+   HN  1.80  3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1= 996, 997, 998,
 &end
#
#  66  ALA   QB   68 ASP-   HN  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 996, 997, 998,
 &end
#
#  66  ALA   QB   70  VAL   HN  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 996, 997, 998,
 &end
#
#  67 ARG+   HA   67 ARG+  HD2  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1012, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  67 ARG+   HA   67 ARG+  HD3  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1013, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  67 ARG+   HA   67 ARG+   QG  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2=1009,1010,
 &end
#
#  67 ARG+   HA   70  VAL   HB  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1062, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  67 ARG+   HA   70  VAL   HN  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1058, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  67 ARG+   HA   70  VAL  QG1  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1064,1065,1066,
 &end
#
#  67 ARG+   HA   70  VAL  QG2  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1068,1069,1070,
 &end
#
#  67 ARG+  HB2   68 ASP-   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1026, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  67 ARG+  HB3   68 ASP-   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1007,1026, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  67 ARG+   HN   67 ARG+  HB2  1.80  3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1006, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  67 ARG+   HN   67 ARG+  HB3  1.80  3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1007, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  67 ARG+   HN   67 ARG+  HD2  1.80  5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1012, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  67 ARG+   HN   67 ARG+  HD3  1.80  5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1013, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  67 ARG+   HN   67 ARG+  HG2  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1009, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  67 ARG+   HN   67 ARG+  HG3  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1010, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  67 ARG+   HN   67 ARG+   QB  1.80  3.07
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=1006,1007,
 &end
#
#  67 ARG+   HN   67 ARG+   QD  1.80  4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1012,1013,
 &end
#
#  67 ARG+   HN   68 ASP-   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1002,1026, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  67 ARG+   HN   68 ASP-   QB  1.80  5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1030,1031,
 &end
#
#  67 ARG+   QB   68 ASP-   HN  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1006,1007,
 &end
#
#  68 ASP-   HA   71  ASN HD21  1.80  5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1083, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  68 ASP-   HA   71  ASN HD22  1.80  5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1084, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  68 ASP-   HA   71  ASN   HN  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1028,1074, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  68 ASP-   HA   71  ASN   QB  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1078,1079,
 &end
#
#  68 ASP-   HA   71  ASN  QD2  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1028,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1083,1084,
 &end
#
#  68 ASP-  HB2   69  PHE   HN  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1030,1038, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  68 ASP-  HB3   69  PHE   HN  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1031,1038, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  68 ASP-   HN   68 ASP-  HB2  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1030, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  68 ASP-   HN   68 ASP-  HB3  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1031, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  68 ASP-   HN   68 ASP-   QB  1.80  3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1026,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1030,1031,
 &end
#
#  68 ASP-   HN   69  PHE   HN  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1038, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  68 ASP-   HN   70  VAL   HN  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1058, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  68 ASP-   QB   69  PHE   HN  1.80  3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1=1030,1031,
 &end
#
#  69  PHE   HA   69  PHE   QD  1.80  4.05
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2=1046,1054,
 &end
#
#  69  PHE   HA   72  TYR  HB2  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1092, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  69  PHE   HA   72  TYR  HB3  1.80  4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1093, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  69  PHE   HA   72  TYR   HN  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1088, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  69  PHE   HA   72  TYR   QB  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1092,1093,
 &end
#
#  69  PHE   HA   72  TYR   QD  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1096,1105,
 &end
#
#  69  PHE   HA   73  LEU   HN  1.80  5.29
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1109, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  69  PHE  HB2   70  VAL   HN  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1058, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  69  PHE  HB2   70  VAL  QG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1068,1069,1070,
 &end
#
#  69  PHE  HB3   70  VAL   HN  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1058, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  69  PHE  HB3   70  VAL  QG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1068,1069,1070,
 &end
#
#  69  PHE   HN   69  PHE  HB2  1.80  3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  69  PHE   HN   69  PHE  HB3  1.80  3.77
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  69  PHE   HN   69  PHE   QB  1.80  3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1042,1043,
 &end
#
#  69  PHE   HN   69  PHE   QD  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1046,1054,
 &end
#
#  69  PHE   HN   70  VAL   HB  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1062, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69  PHE   HN   70  VAL   HN  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1058, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  69  PHE   HN   70  VAL  QG2  1.80  4.75
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1068,1069,1070,
 &end
#
#  69  PHE   HZ   72  TYR   QD  1.80  5.24
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1096,1105,
 &end
#
#  69  PHE   HZ   72  TYR   QE  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1098,1103,
 &end
#
#  69  PHE   HZ   73  LEU  QD2  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1122,1123,1124,
 &end
#
#  69  PHE   QB   70  VAL   HN  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1042,1043,
 &end
#
#  69  PHE   QB   70  VAL  QG2  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1042,1043,
 igr2=1068,1069,1070,
 &end
#
#  69  PHE   QD   70  VAL   HA  1.80  4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1046,1054,
 &end
#
#  69  PHE   QD   70  VAL   HN  1.80  4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1046,1054,
 &end
#
#  69  PHE   QD   70  VAL  QG2  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1046,1054,
 igr2=1068,1069,1070,
 &end
#
#  69  PHE   QD   72  TYR   QD  1.80  4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1046,1054,
 igr2=1096,1105,
 &end
#
#  69  PHE   QD   73  LEU   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1054,
 &end
#
#  69  PHE   QD   73  LEU  QD1  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1046,1054,
 igr2=1118,1119,1120,
 &end
#
#  69  PHE   QD   73  LEU  QD2  1.80  4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1046,1054,
 igr2=1122,1123,1124,
 &end
#
#  69  PHE   QE   72  TYR   QE  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1048,1052,
 igr2=1098,1103,
 &end
#
#  69  PHE   QE   73  LEU   HG  1.80  5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1=1048,1052,
 &end
#
#  69  PHE   QE   73  LEU  QD1  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1048,1052,
 igr2=1118,1119,1120,
 &end
#
#  69  PHE   QE   73  LEU  QD2  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1048,1052,
 igr2=1122,1123,1124,
 &end
#
#  70  VAL   HA   70  VAL  QG1  1.80  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1064,1065,1066,
 &end
#
#  70  VAL   HA   70  VAL  QG2  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1068,1069,1070,
 &end
#
#  70  VAL   HA   73  LEU  HB2  1.80  3.73
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1113, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  70  VAL   HA   73  LEU  HB3  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1114, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  70  VAL   HA   73  LEU   HG  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1116, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  70  VAL   HA   73  LEU   HN  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1109, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  70  VAL   HA   73  LEU  QD1  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1118,1119,1120,
 &end
#
#  70  VAL   HA   74  VAL   HN  1.80  4.89
 &rst
  ixpk= 0, nxpk= 0, iat=1060,1128, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  70  VAL   HA   84  VAL  QG2  1.80  5.08
 &rst
  ixpk= 0, nxpk= 0, iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2=1305,1306,1307,
 &end
#
#  70  VAL   HB   71  ASN   HN  1.80  3.63
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1074, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  70  VAL   HB   73  LEU  QD1  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1118,1119,1120,
 &end
#
#  70  VAL   HN   70  VAL   HB  1.80  3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1062, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  70  VAL   HN   70  VAL  QG1  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1064,1065,1066,
 &end
#
#  70  VAL   HN   70  VAL  QG2  1.80  3.09
 &rst
  ixpk= 0, nxpk= 0, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2=1068,1069,1070,
 &end
#
#  70  VAL   HN   71  ASN   HN  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1074, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  70  VAL   HN   72  TYR   HN  1.80  5.20
 &rst
  ixpk= 0, nxpk= 0, iat=1058,1088, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  70  VAL  QG1   71  ASN   HA  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1064,1065,1066,
 &end
#
#  70  VAL  QG1   71  ASN   HN  1.80  3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1064,1065,1066,
 &end
#
#  70  VAL  QG1   73  LEU  HB2  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1113, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1064,1065,1066,
 &end
#
#  70  VAL  QG1   73  LEU   HN  1.80  4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1064,1065,1066,
 &end
#
#  70  VAL  QG1   73  LEU  QD1  1.80  4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1064,1065,1066,
 igr2=1118,1119,1120,
 &end
#
#  70  VAL  QG1   74  VAL   HN  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1064,1065,1066,
 &end
#
#  70  VAL  QG1   84  VAL  QG1  1.80  3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1064,1065,1066,
 igr2=1301,1302,1303,
 &end
#
#  70  VAL  QG1   84  VAL  QG2  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1064,1065,1066,
 igr2=1305,1306,1307,
 &end
#
#  70  VAL  QG2   71  ASN   HN  1.80  3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1068,1069,1070,
 &end
#
#  70  VAL  QG2   73  LEU  QD1  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1068,1069,1070,
 igr2=1118,1119,1120,
 &end
#
#  70  VAL  QG2   84  VAL  QG1  1.80  4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1068,1069,1070,
 igr2=1301,1302,1303,
 &end
#
#  70  VAL  QG2   84  VAL  QG2  1.80  3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1068,1069,1070,
 igr2=1305,1306,1307,
 &end
#
#  71  ASN   HA   71  ASN  QD2  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1083,1084,
 &end
#
#  71  ASN   HA   74  VAL   HB  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1132, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  71  ASN   HA   74  VAL   HN  1.80  3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1128, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  71  ASN   HA   74  VAL  QG2  1.80  3.85
 &rst
  ixpk= 0, nxpk= 0, iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1138,1139,1140,
 &end
#
#  71  ASN   HA   75 ARG+   HN  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1076,1144, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  71  ASN  HB2   72  TYR   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1088, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  71  ASN  HB3   72  TYR   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1088, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  71  ASN   HN   71  ASN  HB2  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  71  ASN   HN   71  ASN  HB3  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1079, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  71  ASN   HN   71  ASN HD21  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1083, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  71  ASN   HN   71  ASN HD22  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1084, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  71  ASN   HN   71  ASN  QD2  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1083,1084,
 &end
#
#  71  ASN   HN   72  TYR   HN  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1088, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  71  ASN   HN   73  LEU   HN  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1074,1109, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  71  ASN   QB   71  ASN  QD2  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1078,1079,
 igr2=1083,1084,
 &end
#
#  71  ASN   QB   72  TYR   HN  1.80  3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1088, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1078,1079,
 &end
#
#  72  TYR   HA   72  TYR   QD  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1096,1105,
 &end
#
#  72  TYR   HA   74  VAL   HN  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1128, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  72  TYR   HA   75 ARG+  HB2  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1148, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  72  TYR   HA   75 ARG+  HB3  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1149, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  72  TYR   HA   75 ARG+   HN  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1090,1144, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  72  TYR   HA   75 ARG+   QB  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1148,1149,
 &end
#
#  72  TYR   HA   75 ARG+   QG  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1090,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1151,1152,
 &end
#
#  72  TYR  HB2   73  LEU   HN  1.80  4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1092,1109, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  72  TYR  HB3   73  LEU   HN  1.80  4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1093,1109, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  72  TYR   HN   72  TYR  HB2  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1092, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  72  TYR   HN   72  TYR  HB3  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1093, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  72  TYR   HN   72  TYR   QB  1.80  2.94
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2=1092,1093,
 &end
#
#  72  TYR   HN   72  TYR   QD  1.80  4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1088,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1096,1105,
 &end
#
#  72  TYR   HN   73  LEU   HN  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1088,1109, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  72  TYR   QB   73  LEU   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1092,1093,
 &end
#
#  72  TYR   QD   73  LEU   HA  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1111, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1096,1105,
 &end
#
#  72  TYR   QD   73  LEU   HG  1.80  4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1096,1105,
 &end
#
#  72  TYR   QD   73  LEU   HN  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1109, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1096,1105,
 &end
#
#  72  TYR   QD   73  LEU  QD2  1.80  3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1096,1105,
 igr2=1122,1123,1124,
 &end
#
#  72  TYR   QD   76  ILE  QD1  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1096,1105,
 igr2=1181,1182,1183,
 &end
#
#  72  TYR   QD   76  ILE  QG2  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1096,1105,
 igr2=1174,1175,1176,
 &end
#
#  72  TYR   QE   73  LEU  QD2  1.80  3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1098,1103,
 igr2=1122,1123,1124,
 &end
#
#  72  TYR   QE   76  ILE  QD1  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1098,1103,
 igr2=1181,1182,1183,
 &end
#
#  72  TYR   QE   76  ILE  QG2  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1098,1103,
 igr2=1174,1175,1176,
 &end
#
#  73  LEU   HA   73  LEU   HG  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1116, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  73  LEU   HA   73  LEU  QD1  1.80  4.54
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1118,1119,1120,
 &end
#
#  73  LEU   HA   73  LEU  QD2  1.80  3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1122,1123,1124,
 &end
#
#  73  LEU   HA   75 ARG+   HN  1.80  4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1144, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  73  LEU   HA   76  ILE   HB  1.80  5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1172, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  73  LEU   HA   76  ILE HG12  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1178, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  73  LEU   HA   76  ILE HG13  1.80  4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1179, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  73  LEU   HA   76  ILE   HN  1.80  4.14
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1168, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  73  LEU   HA   76  ILE  QD1  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1181,1182,1183,
 &end
#
#  73  LEU   HA   76  ILE  QG2  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=1174,1175,1176,
 &end
#
#  73  LEU   HA   78 GLU-  HB2  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1205, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  73  LEU   HA   78 GLU-  HB3  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1206, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  73  LEU   HA   78 GLU-  HG2  1.80  5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1208, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  73  LEU   HA   78 GLU-  HG3  1.80  5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1209, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  73  LEU   HA   78 GLU-   HN  1.80  4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1201, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  73  LEU   HA   78 GLU-   QG  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1208,1209,
 &end
#
#  73  LEU   HA   79  VAL   HN  1.80  4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1111,1216, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  73  LEU   HA   79  VAL  QG2  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1111,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1226,1227,1228,
 &end
#
#  73  LEU  HB2   73  LEU  QD1  1.80  3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1118,1119,1120,
 &end
#
#  73  LEU  HB2   73  LEU  QD2  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1122,1123,1124,
 &end
#
#  73  LEU  HB2   74  VAL   HN  1.80  3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1128, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  73  LEU  HB2   74  VAL  QG2  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1138,1139,1140,
 &end
#
#  73  LEU  HB2   79  VAL   HB  1.80  4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1113,1220, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  73  LEU  HB2   79  VAL  QG2  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1226,1227,1228,
 &end
#
#  73  LEU  HB3   73  LEU  QD1  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2=1118,1119,1120,
 &end
#
#  73  LEU  HB3   73  LEU  QD2  1.80  3.49
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1122,1123,1124,
 &end
#
#  73  LEU  HB3   74  VAL   HN  1.80  4.22
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1128, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  73  LEU  HB3   78 GLU-  HB2  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1205, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  73  LEU  HB3   78 GLU-  HB3  1.80  4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1206, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  73  LEU  HB3   79  VAL   HB  1.80  4.19
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1220, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  73  LEU  HB3   79  VAL   HN  1.80  4.40
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1216, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  73  LEU  HB3   79  VAL  QG2  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1226,1227,1228,
 &end
#
#  73  LEU   HN   73  LEU  HB2  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1113, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  73  LEU   HN   73  LEU  HB3  1.80  3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1114, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  73  LEU   HN   73  LEU   HG  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1116, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  73  LEU   HN   73  LEU  QD1  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2=1118,1119,1120,
 &end
#
#  73  LEU   HN   73  LEU  QD2  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1122,1123,1124,
 &end
#
#  73  LEU   HN   74  VAL   HB  1.80  5.30
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1132, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  73  LEU   HN   74  VAL   HN  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1109,1128, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  73  LEU   HN   76  ILE  QD1  1.80  5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1109,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1181,1182,1183,
 &end
#
#  73  LEU  QD1   74  VAL   HN  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1128, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1118,1119,1120,
 &end
#
#  73  LEU  QD1   78 GLU-  HB3  1.80  4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=1118,1119,1120,
 &end
#
#  73  LEU  QD1   79  VAL   HB  1.80  5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1220, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1=1118,1119,1120,
 &end
#
#  73  LEU  QD1   79  VAL   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1118,1119,1120,
 &end
#
#  73  LEU  QD1   79  VAL  QG1  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1118,1119,1120,
 igr2=1222,1223,1224,
 &end
#
#  73  LEU  QD1   79  VAL  QG2  1.80  3.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1118,1119,1120,
 igr2=1226,1227,1228,
 &end
#
#  73  LEU  QD2   76  ILE HG12  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   76  ILE HG13  1.80  4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   76  ILE   HN  1.80  5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   76  ILE  QD1  1.80  3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1122,1123,1124,
 igr2=1181,1182,1183,
 &end
#
#  73  LEU  QD2   78 GLU-   HA  1.80  5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-  HB2  1.80  3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-  HB3  1.80  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-  HG2  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-  HG3  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-   HN  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1122,1123,1124,
 &end
#
#  73  LEU  QD2   78 GLU-   QG  1.80  3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1122,1123,1124,
 igr2=1208,1209,
 &end
#
#  73  LEU  QD2   79  VAL   HN  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1122,1123,1124,
 &end
#
#  74  VAL   HA   74  VAL  QG1  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1134,1135,1136,
 &end
#
#  74  VAL   HA   74  VAL  QG2  1.80  3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1138,1139,1140,
 &end
#
#  74  VAL   HA   77  ASN   HN  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1187, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  74  VAL   HA   78 GLU-   HN  1.80  4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1201, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  74  VAL   HA   79  VAL   HB  1.80  4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1220, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  74  VAL   HA   79  VAL   HN  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1130,1216, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  74  VAL   HB   75 ARG+   HN  1.80  3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  74  VAL   HN   74  VAL   HB  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1132, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  74  VAL   HN   74  VAL  QG1  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1134,1135,1136,
 &end
#
#  74  VAL   HN   74  VAL  QG2  1.80  2.99
 &rst
  ixpk= 0, nxpk= 0, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1138,1139,1140,
 &end
#
#  74  VAL   HN   75 ARG+   HN  1.80  3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1144, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  74  VAL   HN   79  VAL   HB  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1220, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  74  VAL   HN   79  VAL   HN  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1216, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  74  VAL   HN   79  VAL  QG2  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1226,1227,1228,
 &end
#
#  74  VAL  QG1   75 ARG+   HA  1.80  4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   75 ARG+   HN  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   77  ASN   HA  1.80  5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   77  ASN   HN  1.80  4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   80 LYS+   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   81  SER   HA  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   81  SER   HN  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1134,1135,1136,
 &end
#
#  74  VAL  QG1   81  SER   QB  1.80  3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1134,1135,1136,
 igr2=1258,1259,
 &end
#
#  74  VAL  QG2   75 ARG+   HN  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   77  ASN   HN  1.80  5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   79  VAL   HN  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   80 LYS+   HA  1.80  5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   81  SER   HA  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   81  SER  HB2  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   81  SER  HB3  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1259, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   81  SER   HN  1.80  4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   81  SER   QB  1.80  3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1138,1139,1140,
 igr2=1258,1259,
 &end
#
#  74  VAL  QG2   82 GLU-   HN  1.80  5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1=1138,1139,1140,
 &end
#
#  74  VAL  QG2   84  VAL  QG2  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1138,1139,1140,
 igr2=1305,1306,1307,
 &end
#
#  75 ARG+   HA   75 ARG+   QG  1.80  3.45
 &rst
  ixpk= 0, nxpk= 0, iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1151,1152,
 &end
#
#  75 ARG+   HA   77  ASN   HN  1.80  4.36
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1187, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  75 ARG+  HB2   76  ILE   HN  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1148,1168, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  75 ARG+  HB2   76  ILE  QG2  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1174,1175,1176,
 &end
#
#  75 ARG+  HB3   76  ILE   HN  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1149,1168, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  75 ARG+  HB3   76  ILE  QG2  1.80  4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1149,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1174,1175,1176,
 &end
#
#  75 ARG+  HG2   76  ILE   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  75 ARG+  HG3   76  ILE   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1152,1168, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  75 ARG+   HN   75 ARG+  HB2  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1148, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  75 ARG+   HN   75 ARG+  HB3  1.80  3.71
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1149, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  75 ARG+   HN   75 ARG+  HD2  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1154, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  75 ARG+   HN   75 ARG+  HD3  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1155, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#  75 ARG+   HN   75 ARG+  HG2  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1151, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  75 ARG+   HN   75 ARG+  HG3  1.80  4.16
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1152, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  75 ARG+   HN   75 ARG+   QB  1.80  3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2=1148,1149,
 &end
#
#  75 ARG+   HN   75 ARG+   QD  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1154,1155,
 &end
#
#  75 ARG+   HN   75 ARG+   QG  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1151,1152,
 &end
#
#  75 ARG+   HN   76  ILE   HN  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1168, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  75 ARG+   HN   76  ILE  QG2  1.80  4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1174,1175,1176,
 &end
#
#  75 ARG+   QB   76  ILE   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1148,1149,
 &end
#
#  75 ARG+   QB   76  ILE  QG2  1.80  3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1148,1149,
 igr2=1174,1175,1176,
 &end
#
#  75 ARG+   QB   77  ASN   HN  1.80  5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1148,1149,
 &end
#
#  75 ARG+   QG   76  ILE   HN  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1151,1152,
 &end
#
#  76  ILE   HA   76  ILE  QD1  1.80  4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1181,1182,1183,
 &end
#
#  76  ILE   HA   76  ILE  QG2  1.80  2.97
 &rst
  ixpk= 0, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1174,1175,1176,
 &end
#
#  76  ILE   HB   76  ILE  QD1  1.80  3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1172,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1181,1182,1183,
 &end
#
#  76  ILE   HB   77  ASN   HN  1.80  4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1187, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  76  ILE HG12   78 GLU-  HG2  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  76  ILE HG12   78 GLU-  HG3  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1209, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  76  ILE HG12   78 GLU-   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1178,1201, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  76  ILE HG13   78 GLU-  HG2  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1208, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  76  ILE HG13   78 GLU-  HG3  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1209, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  76  ILE HG13   78 GLU-   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1201, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  76  ILE   HN   76  ILE   HB  1.80  4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76  ILE   HN   76  ILE HG12  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1178, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  76  ILE   HN   76  ILE HG13  1.80  3.76
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1179, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  76  ILE   HN   76  ILE  QG1  1.80  3.05
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2=1178,1179,
 &end
#
#  76  ILE   HN   76  ILE  QG2  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1174,1175,1176,
 &end
#
#  76  ILE   HN   77  ASN   HA  1.80  5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1189, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  76  ILE   HN   77  ASN   HN  1.80  3.33
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1187, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  76  ILE   HN   78 GLU-  HB2  1.80  5.09
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1205, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  76  ILE   HN   78 GLU-   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1201, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  76  ILE  QD1   78 GLU-   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-  HB2  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-  HB3  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-  HG2  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1208, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-  HG3  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QD1   78 GLU-   QG  1.80  3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1181,1182,1183,
 igr2=1208,1209,
 &end
#
#  76  ILE  QD1   79  VAL   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1181,1182,1183,
 &end
#
#  76  ILE  QG1   78 GLU-   HA  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1178,1179,
 &end
#
#  76  ILE  QG1   78 GLU-  HB2  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1178,1179,
 &end
#
#  76  ILE  QG1   78 GLU-  HB3  1.80  4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1206, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1178,1179,
 &end
#
#  76  ILE  QG1   78 GLU-   HN  1.80  3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1178,1179,
 &end
#
#  76  ILE  QG1   78 GLU-   QG  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1178,1179,
 igr2=1208,1209,
 &end
#
#  76  ILE  QG1   79  VAL   HN  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1178,1179,
 &end
#
#  76  ILE  QG2   76  ILE HG12  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1174,1175,1176,
 &end
#
#  76  ILE  QG2   76  ILE HG13  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1174,1175,1176,
 &end
#
#  76  ILE  QG2   76  ILE  QD1  1.80  2.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1174,1175,1176,
 igr2=1181,1182,1183,
 &end
#
#  76  ILE  QG2   77  ASN   HN  1.80  4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1174,1175,1176,
 &end
#
#  76  ILE  QG2   78 GLU-   HN  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1=1174,1175,1176,
 &end
#
#  77  ASN   HA   77  ASN HD21  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1196, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  77  ASN   HA   77  ASN HD22  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1197, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  77  ASN   HA   77  ASN  QD2  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1196,1197,
 &end
#
#  77  ASN   HA   79  VAL   HN  1.80  3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1189,1216, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  77  ASN  HB2   78 GLU-   HN  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1191,1201, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  77  ASN  HB3   78 GLU-   HN  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1192,1201, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  77  ASN   HN   77  ASN  HB2  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1191, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  77  ASN   HN   77  ASN  HB3  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1192, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  77  ASN   HN   78 GLU-   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1201, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  77  ASN   HN   79  VAL   HN  1.80  4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1216, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  77  ASN   QB   77  ASN  QD2  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1191,1192,
 igr2=1196,1197,
 &end
#
#  78 GLU-   HA   78 GLU-   QG  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1208,1209,
 &end
#
#  78 GLU-   HA   79  VAL  QG2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1226,1227,1228,
 &end
#
#  78 GLU-  HB2   79  VAL   HN  1.80  3.99
 &rst
  ixpk= 0, nxpk= 0, iat=1205,1216, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  78 GLU-  HB2   79  VAL  QG2  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2=1226,1227,1228,
 &end
#
#  78 GLU-  HB3   79  VAL   HN  1.80  4.17
 &rst
  ixpk= 0, nxpk= 0, iat=1206,1216, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  78 GLU-  HB3   79  VAL  QG2  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1206,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1226,1227,1228,
 &end
#
#  78 GLU-   HN   78 GLU-  HB2  1.80  3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1205, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  78 GLU-   HN   78 GLU-  HB3  1.80  3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1206, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  78 GLU-   HN   78 GLU-  HG2  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1208, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  78 GLU-   HN   78 GLU-  HG3  1.80  4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1209, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  78 GLU-   HN   78 GLU-   QG  1.80  3.80
 &rst
  ixpk= 0, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1208,1209,
 &end
#
#  78 GLU-   HN   79  VAL   HB  1.80  5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1220, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  78 GLU-   HN   79  VAL   HN  1.80  3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1201,1216, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  78 GLU-   HN   79  VAL  QG2  1.80  5.04
 &rst
  ixpk= 0, nxpk= 0, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1226,1227,1228,
 &end
#
#  78 GLU-   QG   79  VAL   HN  1.80  5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1208,1209,
 &end
#
#  78 GLU-   QG   79  VAL  QG2  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1208,1209,
 igr2=1226,1227,1228,
 &end
#
#  79  VAL   HA   79  VAL  QG1  1.80  3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1222,1223,1224,
 &end
#
#  79  VAL   HA   79  VAL  QG2  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1226,1227,1228,
 &end
#
#  79  VAL   HA   80 LYS+   HN  1.80  2.91
 &rst
  ixpk= 0, nxpk= 0, iat=1218,1232, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#  79  VAL   HA   80 LYS+   QG  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1218,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1239,1240,
 &end
#
#  79  VAL   HB   80 LYS+   HN  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1220,1232, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  79  VAL   HN   79  VAL   HB  1.80  3.43
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1220, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  79  VAL   HN   79  VAL  QG1  1.80  4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1222,1223,1224,
 &end
#
#  79  VAL   HN   79  VAL  QG2  1.80  3.82
 &rst
  ixpk= 0, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1226,1227,1228,
 &end
#
#  79  VAL   HN   80 LYS+   HN  1.80  4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1232, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  79  VAL  QG1   80 LYS+   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1234, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   80 LYS+   HN  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-  HB2  1.80  4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-  HB3  1.80  4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-  HG2  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-  HG3  1.80  4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1288, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-   HN  1.80  4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   83 GLU-   QG  1.80  4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1222,1223,1224,
 igr2=1287,1288,
 &end
#
#  79  VAL  QG1   84  VAL   HN  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1222,1223,1224,
 &end
#
#  79  VAL  QG1   84  VAL  QG2  1.80  3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1222,1223,1224,
 igr2=1305,1306,1307,
 &end
#
#  79  VAL  QG2   80 LYS+   HN  1.80  4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1232, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1226,1227,1228,
 &end
#
#  80 LYS+   HA   80 LYS+  HG2  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1239, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  80 LYS+   HA   80 LYS+  HG3  1.80  3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1240, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  80 LYS+   HA   81  SER   HN  1.80  2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  80 LYS+   HA   81  SER   QB  1.80  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1234,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1258,1259,
 &end
#
#  80 LYS+   HA   82 GLU-   HN  1.80  4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1265, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  80 LYS+  HB2   81  SER   HN  1.80  4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1254, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  80 LYS+  HB2   82 GLU-   HN  1.80  3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1265, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  80 LYS+  HB2   83 GLU-   HN  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1280, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  80 LYS+  HB2   83 GLU-   QG  1.80  3.52
 &rst
  ixpk= 0, nxpk= 0, iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1287,1288,
 &end
#
#  80 LYS+  HB3   81  SER   HN  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1254, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  80 LYS+  HB3   82 GLU-  HG2  1.80  5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1272, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  80 LYS+  HB3   82 GLU-  HG3  1.80  5.46
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1273, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  80 LYS+  HB3   82 GLU-   HN  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1265, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  80 LYS+  HB3   82 GLU-   QG  1.80  4.59
 &rst
  ixpk= 0, nxpk= 0, iat=1237,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1272,1273,
 &end
#
#  80 LYS+   HN   80 LYS+  HB2  1.80  3.29
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1236, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  80 LYS+   HN   80 LYS+  HB3  1.80  3.68
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1237, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  80 LYS+   HN   80 LYS+  HG2  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1239, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  80 LYS+   HN   80 LYS+  HG3  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1240, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  80 LYS+   HN   80 LYS+   QG  1.80  3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1239,1240,
 &end
#
#  80 LYS+   HN   81  SER   HN  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1254, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  80 LYS+   HN   83 GLU-  HB2  1.80  4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1284, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  80 LYS+   HN   83 GLU-  HG2  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1287, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  80 LYS+   HN   83 GLU-  HG3  1.80  4.88
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1288, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  80 LYS+   HN   83 GLU-   HN  1.80  5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1232,1280, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  80 LYS+   HN   83 GLU-   QG  1.80  4.13
 &rst
  ixpk= 0, nxpk= 0, iat=1232,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1287,1288,
 &end
#
#  80 LYS+   QG   81  SER   HN  1.80  4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1254, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1239,1240,
 &end
#
#  81  SER   HA   84  VAL  QG2  1.80  4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1305,1306,1307,
 &end
#
#  81  SER  HB2   84  VAL   HB  1.80  5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1299, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  81  SER  HB3   84  VAL   HB  1.80  5.45
 &rst
  ixpk= 0, nxpk= 0, iat=1259,1299, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  81  SER   HN   81  SER   QB  1.80  2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1258,1259,
 &end
#
#  81  SER   HN   82 GLU-   HN  1.80  3.72
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1265, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  81  SER   HN   83 GLU-   HN  1.80  4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1254,1280, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  81  SER   QB   82 GLU-   HN  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr1=1258,1259,
 &end
#
#  81  SER   QB   83 GLU-   HN  1.80  5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1258,1259,
 &end
#
#  81  SER   QB   84  VAL   HB  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1258,1259,
 &end
#
#  81  SER   QB   84  VAL   HN  1.80  4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1258,1259,
 &end
#
#  81  SER   QB   84  VAL  QG1  1.80  5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1258,1259,
 igr2=1301,1302,1303,
 &end
#
#  81  SER   QB   84  VAL  QG2  1.80  3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1258,1259,
 igr2=1305,1306,1307,
 &end
#
#  82 GLU-   HA   82 GLU-   QG  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1272,1273,
 &end
#
#  82 GLU-  HG2   83 GLU-   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1272,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 GLU-  HG3   83 GLU-   HN  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  82 GLU-   HN   82 GLU-   QB  1.80  2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1269,1270,
 &end
#
#  82 GLU-   HN   82 GLU-   QG  1.80  3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1272,1273,
 &end
#
#  82 GLU-   HN   83 GLU-   HN  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1280, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  82 GLU-   HN   84  VAL   HN  1.80  4.52
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1295, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  82 GLU-   HN   84  VAL  QG2  1.80  4.98
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1305,1306,1307,
 &end
#
#  82 GLU-   QB   83 GLU-   HN  1.80  3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1269,1270,
 &end
#
#  82 GLU-   QG   83 GLU-   HN  1.80  4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1272,1273,
 &end
#
#  83 GLU-   HA   83 GLU-  HG2  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1287, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  83 GLU-   HA   83 GLU-  HG3  1.80  3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1288, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  83 GLU-   HA   83 GLU-   QG  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1282,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1287,1288,
 &end
#
#  83 GLU-  HB2   84  VAL   HN  1.80  4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1284,1295, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  83 GLU-  HB3   84  VAL   HN  1.80  4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1285,1295, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  83 GLU-  HB3   84  VAL  QG2  1.80  4.64
 &rst
  ixpk= 0, nxpk= 0, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1305,1306,1307,
 &end
#
#  83 GLU-   HN   83 GLU-  HB2  1.80  3.23
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1284, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  83 GLU-   HN   83 GLU-  HB3  1.80  3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1285, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  83 GLU-   HN   83 GLU-  HG2  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1287, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  83 GLU-   HN   83 GLU-  HG3  1.80  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  83 GLU-   HN   84  VAL   HB  1.80  4.87
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1299, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  83 GLU-   HN   84  VAL   HN  1.80  3.03
 &rst
  ixpk= 0, nxpk= 0, iat=1280,1295, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  83 GLU-   HN   84  VAL  QG2  1.80  3.83
 &rst
  ixpk= 0, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1305,1306,1307,
 &end
#
#  83 GLU-   QG   84  VAL   HN  1.80  4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1295, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1287,1288,
 &end
#
#  84  VAL   HA   84  VAL  QG1  1.80  3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1301,1302,1303,
 &end
#
#  84  VAL   HA   84  VAL  QG2  1.80  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1297,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1305,1306,1307,
 &end
#
#  84  VAL   HA   85  PRO  HD2  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1312, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  84  VAL   HA   85  PRO  HD3  1.80  3.14
 &rst
  ixpk= 0, nxpk= 0, iat=1297,1313, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  84  VAL   HN   84  VAL   HB  1.80  3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  84  VAL   HN   84  VAL  QG1  1.80  3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1301,1302,1303,
 &end
#
#  84  VAL   HN   84  VAL  QG2  1.80  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1305,1306,1307,
 &end
#
#  84  VAL   HN   85  PRO  HD2  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1312, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  84  VAL   HN   85  PRO  HD3  1.80  5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1295,1313, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  84  VAL   HN   85  PRO   QD  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1312,1313,
 &end
#
#  84  VAL  QG1   85  PRO   HA  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1301,1302,1303,
 &end
#
#  84  VAL  QG1   85  PRO  HD2  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1301,1302,1303,
 &end
#
#  84  VAL  QG1   85  PRO  HD3  1.80  3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1301,1302,1303,
 &end
#
#  84  VAL  QG1   85  PRO  HG2  1.80  5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1315, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1301,1302,1303,
 &end
#
#  84  VAL  QG1   85  PRO  HG3  1.80  5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=1301,1302,1303,
 &end
#
#  84  VAL  QG1   85  PRO   QD  1.80  3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1=1301,1302,1303,
 igr2=1312,1313,
 &end
#
#  84  VAL  QG1   85  PRO   QG  1.80  4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1301,1302,1303,
 igr2=1315,1316,
 &end
#
#  84  VAL  QG2   85  PRO  HD2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1305,1306,1307,
 &end
#
#  84  VAL  QG2   85  PRO  HD3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1305,1306,1307,
 &end
#
#  84  VAL  QG2   85  PRO   QD  1.80  4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1=1305,1306,1307,
 igr2=1312,1313,
 &end
#
#  85  PRO   HA   86  ALA   HN  1.80  2.61
 &rst
  ixpk= 0, nxpk= 0, iat=1321,1325, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
#  85  PRO   HA   86  ALA   QB  1.80  4.29
 &rst
  ixpk= 0, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1329,1330,1331,
 &end
#
#  85  PRO  HB2   86  ALA   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1318,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  85  PRO  HB3   86  ALA   HN  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=1319,1325, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  85  PRO   QB   86  ALA   HN  1.80  3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1318,1319,
 &end
#
#  86  ALA   HA   87  VAL   HN  1.80  2.77
 &rst
  ixpk= 0, nxpk= 0, iat=1327,1335, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
#  86  ALA   HN   86  ALA   QB  1.80  2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1329,1330,1331,
 &end
#
#  86  ALA   HN   87  VAL   HN  1.80  4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1325,1335, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  86  ALA   QB   87  VAL   HA  1.80  4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1329,1330,1331,
 &end
#
#  86  ALA   QB   87  VAL   HN  1.80  3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1335, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1329,1330,1331,
 &end
#
#  86  ALA   QB   88  GLY   HN  1.80  4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1329,1330,1331,
 &end
#
#  87  VAL   HA   87  VAL  QG1  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1341,1342,1343,
 &end
#
#  87  VAL   HA   87  VAL  QG2  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1345,1346,1347,
 &end
#
#  87  VAL   HB   88  GLY   HN  1.80  4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1339,1351, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  87  VAL   HN   87  VAL   HB  1.80  3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1339, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  87  VAL   HN   87  VAL  QG1  1.80  3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1341,1342,1343,
 &end
#
#  87  VAL   HN   87  VAL  QG2  1.80  3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1345,1346,1347,
 &end
#
#  87  VAL   HN   87  VAL  QQG  1.80  2.92
 &rst
  ixpk= 0, nxpk= 0, iat=1335,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1341,1342,1343,1345,1346,1347,
 &end
#
#  87  VAL   HN   88  GLY   HN  1.80  4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1351, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  87  VAL  QG1   88  GLY  HA2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1341,1342,1343,
 &end
#
#  87  VAL  QG1   88  GLY  HA3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1341,1342,1343,
 &end
#
#  87  VAL  QG1   88  GLY   HN  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1341,1342,1343,
 &end
#
#  87  VAL  QG2   88  GLY  HA2  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1345,1346,1347,
 &end
#
#  87  VAL  QG2   88  GLY  HA3  1.80  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1354, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1345,1346,1347,
 &end
#
#  87  VAL  QG2   88  GLY   HN  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1345,1346,1347,
 &end
#
#  87  VAL  QQG   88  GLY   HN  1.80  3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1341,1342,1343,1345,1346,1347,
 &end
#
#  87  VAL  QQG   88  GLY   QA  1.80  4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=1341,1342,1343,1345,1346,1347,
 igr2=1353,1354,
 &end
#
#  88  GLY  HA2   89  ILE   HN  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1353,1358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  88  GLY  HA3   89  ILE   HN  1.80  3.44
 &rst
  ixpk= 0, nxpk= 0, iat=1354,1358, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  88  GLY   HN   89  ILE   HN  1.80  4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1351,1358, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  88  GLY   QA   89  ILE   HN  1.80  2.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,
 igr1=1353,1354,
 &end
#
#  89  ILE   HA   90  VAL   HN  1.80  2.87
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1377, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  89  ILE   HB   89  ILE  QD1  1.80  3.66
 &rst
  ixpk= 0, nxpk= 0, iat=1362,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1371,1372,1373,
 &end
#
#  89  ILE   HB   90  VAL   HN  1.80  4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1362,1377, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  89  ILE   HN   89  ILE   HB  1.80  3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1362, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  89  ILE   HN   89  ILE HG12  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  89  ILE   HN   89  ILE HG13  1.80  3.97
 &rst
  ixpk= 0, nxpk= 0, iat=1358,1369, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  89  ILE   HN   89  ILE  QD1  1.80  4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1371,1372,1373,
 &end
#
#  89  ILE   HN   89  ILE  QG1  1.80  3.46
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1368,1369,
 &end
#
#  89  ILE   HN   89  ILE  QG2  1.80  4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1364,1365,1366,
 &end
#
#  89  ILE   HN   90  VAL  QQG  1.80  4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
#
#  89  ILE  QG2   90  VAL   HN  1.80  4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1377, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1=1364,1365,1366,
 &end
#
#  90  VAL   HA   91  PRO  HD2  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1394, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  90  VAL   HA   91  PRO  HD3  1.80  3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1379,1395, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  90  VAL   HA   91  PRO   QD  1.80  3.15
 &rst
  ixpk= 0, nxpk= 0, iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1394,1395,
 &end
#
#  90  VAL   HN   90  VAL   HB  1.80  3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1377,1381, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  90  VAL   HN   90  VAL  QG1  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1383,1384,1385,
 &end
#
#  90  VAL   HN   90  VAL  QG2  1.80  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1387,1388,1389,
 &end
#
#  90  VAL   HN   90  VAL  QQG  1.80  3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1377,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1383,1384,1385,1387,1388,1389,
 &end
# 1495 atoms read from pdb file leap.pdb.
# 8 ILE CHI1:  (8 ILE N)-(8 ILE CA)-(8 ILE CB)-(8 ILE CG1) -200.0 -160.0
 &rst     iat =    68,    70,    72,    78,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 8 ILE PHI:  (7 GLY C)-(8 ILE N)-(8 ILE CA)-(8 ILE C) -120.0 -60.0
 &rst     iat =    66,    68,    70,    85,
   r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
 &end
# 9 LYS PHI:  (8 ILE C)-(9 LYS N)-(9 LYS CA)-(9 LYS C) -93.7 -33.7
 &rst     iat =    85,    87,    89,   107,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end
# 9 LYS PSI:  (9 LYS N)-(9 LYS CA)-(9 LYS C)-(10 ASN N) -64.0  -4.0
 &rst     iat =    87,    89,   107,   109,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 10 ASN PHI:  (9 LYS C)-(10 ASN N)-(10 ASN CA)-(10 ASN C) -94.0 -34.0
 &rst     iat =   107,   109,   111,   121,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 10 ASN PSI:  (10 ASN N)-(10 ASN CA)-(10 ASN C)-(11 PHE N) -72.0 -12.0
 &rst     iat =   109,   111,   121,   123,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 11 PHE PHI:  (10 ASN C)-(11 PHE N)-(11 PHE CA)-(11 PHE C) -95.0 -35.0
 &rst     iat =   121,   123,   125,   141,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 11 PHE PSI:  (11 PHE N)-(11 PHE CA)-(11 PHE C)-(12 LEU N) -71.0 -11.0
 &rst     iat =   123,   125,   141,   143,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 12 LEU CHI1:  (12 LEU N)-(12 LEU CA)-(12 LEU CB)-(12 LEU CG) -200.0 -160.0
 &rst     iat =   143,   145,   147,   150,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 12 LEU CHI2:  (12 LEU CA)-(12 LEU CB)-(12 LEU CG)-(12 LEU CD1)  40.0  80.0
 &rst     iat =   145,   147,   150,   152,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 12 LEU PHI:  (11 PHE C)-(12 LEU N)-(12 LEU CA)-(12 LEU C) -91.0 -31.0
 &rst     iat =   141,   143,   145,   160,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 12 LEU PSI:  (12 LEU N)-(12 LEU CA)-(12 LEU C)-(13 TYR N) -72.0 -12.0
 &rst     iat =   143,   145,   160,   162,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 13 TYR CHI1:  (13 TYR N)-(13 TYR CA)-(13 TYR CB)-(13 TYR CG) -200.0 -160.0
 &rst     iat =   162,   164,   166,   169,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 13 TYR PHI:  (12 LEU C)-(13 TYR N)-(13 TYR CA)-(13 TYR C) -94.0 -34.0
 &rst     iat =   160,   162,   164,   181,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 13 TYR PSI:  (13 TYR N)-(13 TYR CA)-(13 TYR C)-(14 ALA N) -69.0  -9.0
 &rst     iat =   162,   164,   181,   183,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 14 ALA PHI:  (13 TYR C)-(14 ALA N)-(14 ALA CA)-(14 ALA C) -96.0 -36.0
 &rst     iat =   181,   183,   185,   191,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 14 ALA PSI:  (14 ALA N)-(14 ALA CA)-(14 ALA C)-(15 TRP N) -72.0 -12.0
 &rst     iat =   183,   185,   191,   193,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 15 TRP PHI:  (14 ALA C)-(15 TRP N)-(15 TRP CA)-(15 TRP C) -94.0 -34.0
 &rst     iat =   191,   193,   195,   215,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 15 TRP PSI:  (15 TRP N)-(15 TRP CA)-(15 TRP C)-(16 CYS N) -75.0 -15.0
 &rst     iat =   193,   195,   215,   217,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 16 CYS PHI:  (15 TRP C)-(16 CYS N)-(16 CYS CA)-(16 CYS C) -91.0 -31.0
 &rst     iat =   215,   217,   219,   226,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 16 CYS PSI:  (16 CYS N)-(16 CYS CA)-(16 CYS C)-(17 GLY N) -71.0 -11.0
 &rst     iat =   217,   219,   226,   228,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 17 GLY PHI:  (16 CYS C)-(17 GLY N)-(17 GLY CA)-(17 GLY C) -94.0 -34.0
 &rst     iat =   226,   228,   230,   233,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 17 GLY PSI:  (17 GLY N)-(17 GLY CA)-(17 GLY C)-(18 LYS N) -69.0  -9.0
 &rst     iat =   228,   230,   233,   235,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 18 LYS PHI:  (17 GLY C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -96.0 -36.0
 &rst     iat =   233,   235,   237,   255,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 ARG N) -59.0   1.0
 &rst     iat =   235,   237,   255,   257,
   r1 = -60.0, r2 = -59.0, r3 =   1.0, r4 =   2.0,
 &end
# 19 ARG PHI:  (18 LYS C)-(19 ARG N)-(19 ARG CA)-(19 ARG C) -119.0 -59.0
 &rst     iat =   255,   257,   259,   279,
   r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
 &end
# 19 ARG PSI:  (19 ARG N)-(19 ARG CA)-(19 ARG C)-(20 LYS N) -37.0  33.0
 &rst     iat =   257,   259,   279,   281,
   r1 = -38.0, r2 = -37.0, r3 =  33.0, r4 =  34.0,
 &end
# 22 THR PHI:  (21 MET C)-(22 THR N)-(22 THR CA)-(22 THR C) -143.0 -83.0
 &rst     iat =   318,   320,   322,   332,
   r1 = -144.0, r2 = -143.0, r3 = -83.0, r4 = -82.0,
 &end
# 22 THR PSI:  (22 THR N)-(22 THR CA)-(22 THR C)-(23 PRO N) 102.0 162.0
 &rst     iat =   320,   322,   332,   334,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 24 ALA PHI:  (23 PRO C)-(24 ALA N)-(24 ALA CA)-(24 ALA C) -136.0 -76.0
 &rst     iat =   346,   348,   350,   356,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end
# 24 ALA PSI:  (24 ALA N)-(24 ALA CA)-(24 ALA C)-(25 TYR N)  95.0 155.0
 &rst     iat =   348,   350,   356,   358,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 25 TYR CHI1:  (25 TYR N)-(25 TYR CA)-(25 TYR CB)-(25 TYR CG) -80.0 -40.0
 &rst     iat =   358,   360,   362,   365,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 25 TYR PHI:  (24 ALA C)-(25 TYR N)-(25 TYR CA)-(25 TYR C) -137.0 -77.0
 &rst     iat =   356,   358,   360,   377,
   r1 = -138.0, r2 = -137.0, r3 = -77.0, r4 = -76.0,
 &end
# 25 TYR PSI:  (25 TYR N)-(25 TYR CA)-(25 TYR C)-(26 GLU N) 103.0 163.0
 &rst     iat =   358,   360,   377,   379,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 26 GLU PHI:  (25 TYR C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -147.0 -87.0
 &rst     iat =   377,   379,   381,   392,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
 &end
# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 ILE N) 103.0 163.0
 &rst     iat =   379,   381,   392,   394,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 27 ILE CHI1:  (27 ILE N)-(27 ILE CA)-(27 ILE CB)-(27 ILE CG1) -80.0 -40.0
 &rst     iat =   394,   396,   398,   404,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 27 ILE PHI:  (26 GLU C)-(27 ILE N)-(27 ILE CA)-(27 ILE C) -147.0 -87.0
 &rst     iat =   392,   394,   396,   411,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
 &end
# 27 ILE PSI:  (27 ILE N)-(27 ILE CA)-(27 ILE C)-(28 ARG N) 102.0 162.0
 &rst     iat =   394,   396,   411,   413,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 28 ARG PHI:  (27 ILE C)-(28 ARG N)-(28 ARG CA)-(28 ARG C) -148.0 -88.0
 &rst     iat =   411,   413,   415,   435,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
 &end
# 28 ARG PSI:  (28 ARG N)-(28 ARG CA)-(28 ARG C)-(29 ALA N) 111.0 171.0
 &rst     iat =   413,   415,   435,   437,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end
# 29 ALA PHI:  (28 ARG C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -127.0 -67.0
 &rst     iat =   435,   437,   439,   445,
   r1 = -128.0, r2 = -127.0, r3 = -67.0, r4 = -66.0,
 &end
# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 VAL N) 102.0 162.0
 &rst     iat =   437,   439,   445,   447,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 30 VAL PHI:  (29 ALA C)-(30 VAL N)-(30 VAL CA)-(30 VAL C) -150.0 -90.0
 &rst     iat =   445,   447,   449,   461,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end
# 30 VAL PSI:  (30 VAL N)-(30 VAL CA)-(30 VAL C)-(31 GLY N) 116.0 176.0
 &rst     iat =   447,   449,   461,   463,
   r1 = 115.0, r2 = 116.0, r3 = 176.0, r4 = 177.0,
 &end
# 32 ASN PHI:  (31 GLY C)-(32 ASN N)-(32 ASN CA)-(32 ASN C) -116.0 -56.0
 &rst     iat =   468,   470,   472,   482,
   r1 = -117.0, r2 = -116.0, r3 = -56.0, r4 = -55.0,
 &end
# 32 ASN PSI:  (32 ASN N)-(32 ASN CA)-(32 ASN C)-(33 LYS N) 119.0 179.0
 &rst     iat =   470,   472,   482,   484,
   r1 = 118.0, r2 = 119.0, r3 = 179.0, r4 = 180.0,
 &end
# 33 LYS PHI:  (32 ASN C)-(33 LYS N)-(33 LYS CA)-(33 LYS C) -88.0 -28.0
 &rst     iat =   482,   484,   486,   504,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end
# 33 LYS PSI:  (33 LYS N)-(33 LYS CA)-(33 LYS C)-(34 ASN N) -58.0   2.0
 &rst     iat =   484,   486,   504,   506,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end
# 34 ASN PHI:  (33 LYS C)-(34 ASN N)-(34 ASN CA)-(34 ASN C) -117.0 -57.0
 &rst     iat =   504,   506,   508,   518,
   r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
 &end
# 34 ASN PSI:  (34 ASN N)-(34 ASN CA)-(34 ASN C)-(35 ARG N) -54.0   6.0
 &rst     iat =   506,   508,   518,   520,
   r1 = -55.0, r2 = -54.0, r3 =   6.0, r4 =   7.0,
 &end
# 35 ARG PHI:  (34 ASN C)-(35 ARG N)-(35 ARG CA)-(35 ARG C) -117.0 -57.0
 &rst     iat =   518,   520,   522,   542,
   r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
 &end
# 36 GLN PHI:  (35 ARG C)-(36 GLN N)-(36 GLN CA)-(36 GLN C) -123.0 -63.0
 &rst     iat =   542,   544,   546,   559,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end
# 36 GLN PSI:  (36 GLN N)-(36 GLN CA)-(36 GLN C)-(37 LYS N) 103.0 163.0
 &rst     iat =   544,   546,   559,   561,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 37 LYS PHI:  (36 GLN C)-(37 LYS N)-(37 LYS CA)-(37 LYS C) -148.0 -88.0
 &rst     iat =   559,   561,   563,   581,
   r1 = -149.0, r2 = -148.0, r3 = -88.0, r4 = -87.0,
 &end
# 37 LYS PSI:  (37 LYS N)-(37 LYS CA)-(37 LYS C)-(38 PHE N) 117.0 177.0
 &rst     iat =   561,   563,   581,   583,
   r1 = 116.0, r2 = 117.0, r3 = 177.0, r4 = 178.0,
 &end
# 38 PHE CHI1:  (38 PHE N)-(38 PHE CA)-(38 PHE CB)-(38 PHE CG) -80.0 -40.0
 &rst     iat =   583,   585,   587,   590,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 38 PHE PHI:  (37 LYS C)-(38 PHE N)-(38 PHE CA)-(38 PHE C) -135.0 -75.0
 &rst     iat =   581,   583,   585,   601,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end
# 38 PHE PSI:  (38 PHE N)-(38 PHE CA)-(38 PHE C)-(39 MET N) 102.0 162.0
 &rst     iat =   583,   585,   601,   603,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 39 MET PHI:  (38 PHE C)-(39 MET N)-(39 MET CA)-(39 MET C) -147.0 -87.0
 &rst     iat =   601,   603,   605,   618,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
 &end
# 39 MET PSI:  (39 MET N)-(39 MET CA)-(39 MET C)-(40 CYS N)  95.0 155.0
 &rst     iat =   603,   605,   618,   620,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 40 CYS CHI1:  (40 CYS N)-(40 CYS CA)-(40 CYS CB)-(40 CYS SG) -200.0 -160.0
 &rst     iat =   620,   622,   624,   627,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 40 CYS PHI:  (39 MET C)-(40 CYS N)-(40 CYS CA)-(40 CYS C) -154.0 -94.0
 &rst     iat =   618,   620,   622,   629,
   r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0,
 &end
# 40 CYS PSI:  (40 CYS N)-(40 CYS CA)-(40 CYS C)-(41 GLU N) 101.0 161.0
 &rst     iat =   620,   622,   629,   631,
   r1 = 100.0, r2 = 101.0, r3 = 161.0, r4 = 162.0,
 &end
# 41 GLU PHI:  (40 CYS C)-(41 GLU N)-(41 GLU CA)-(41 GLU C) -153.0 -93.0
 &rst     iat =   629,   631,   633,   644,
   r1 = -154.0, r2 = -153.0, r3 = -93.0, r4 = -92.0,
 &end
# 41 GLU PSI:  (41 GLU N)-(41 GLU CA)-(41 GLU C)-(42 VAL N) 111.0 171.0
 &rst     iat =   631,   633,   644,   646,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end
# 42 VAL CHI1:  (42 VAL N)-(42 VAL CA)-(42 VAL CB)-(42 VAL CG1)  40.0  80.0
 &rst     iat =   646,   648,   650,   652,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 42 VAL PHI:  (41 GLU C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -165.0 -105.0
 &rst     iat =   644,   646,   648,   660,
   r1 = -166.0, r2 = -165.0, r3 = -105.0, r4 = -104.0,
 &end
# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 ARG N) 107.0 167.0
 &rst     iat =   646,   648,   660,   662,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end
# 43 ARG CHI1:  (43 ARG N)-(43 ARG CA)-(43 ARG CB)-(43 ARG CG) -80.0 -40.0
 &rst     iat =   662,   664,   666,   669,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 43 ARG PHI:  (42 VAL C)-(43 ARG N)-(43 ARG CA)-(43 ARG C) -149.0 -89.0
 &rst     iat =   660,   662,   664,   684,
   r1 = -150.0, r2 = -149.0, r3 = -89.0, r4 = -88.0,
 &end
# 43 ARG PSI:  (43 ARG N)-(43 ARG CA)-(43 ARG C)-(44 VAL N) 107.0 167.0
 &rst     iat =   662,   664,   684,   686,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end
# 44 VAL CHI1:  (44 VAL N)-(44 VAL CA)-(44 VAL CB)-(44 VAL CG1) -200.0 -160.0
 &rst     iat =   686,   688,   690,   692,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 44 VAL PHI:  (43 ARG C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -142.0 -82.0
 &rst     iat =   684,   686,   688,   700,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end
# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 GLU N)  94.0 154.0
 &rst     iat =   686,   688,   700,   702,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end
# 45 GLU PHI:  (44 VAL C)-(45 GLU N)-(45 GLU CA)-(45 GLU C) -103.0 -43.0
 &rst     iat =   700,   702,   704,   715,
   r1 = -104.0, r2 = -103.0, r3 = -43.0, r4 = -42.0,
 &end
# 45 GLU PSI:  (45 GLU N)-(45 GLU CA)-(45 GLU C)-(46 GLY N) 102.0 162.0
 &rst     iat =   702,   704,   715,   717,
   r1 = 101.0, r2 = 102.0, r3 = 162.0, r4 = 163.0,
 &end
# 47 PHE CHI1:  (47 PHE N)-(47 PHE CA)-(47 PHE CB)-(47 PHE CG) -80.0 -40.0
 &rst     iat =   724,   726,   728,   731,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 47 PHE PHI:  (46 GLY C)-(47 PHE N)-(47 PHE CA)-(47 PHE C) -129.0 -69.0
 &rst     iat =   722,   724,   726,   742,
   r1 = -130.0, r2 = -129.0, r3 = -69.0, r4 = -68.0,
 &end
# 47 PHE PSI:  (47 PHE N)-(47 PHE CA)-(47 PHE C)-(48 ASN N) 104.0 164.0
 &rst     iat =   724,   726,   742,   744,
   r1 = 103.0, r2 = 104.0, r3 = 164.0, r4 = 165.0,
 &end
# 48 ASN PHI:  (47 PHE C)-(48 ASN N)-(48 ASN CA)-(48 ASN C) -119.0 -59.0
 &rst     iat =   742,   744,   746,   756,
   r1 = -120.0, r2 = -119.0, r3 = -59.0, r4 = -58.0,
 &end
# 49 TYR CHI1:  (49 TYR N)-(49 TYR CA)-(49 TYR CB)-(49 TYR CG) -200.0 -160.0
 &rst     iat =   758,   760,   762,   765,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 49 TYR PHI:  (48 ASN C)-(49 TYR N)-(49 TYR CA)-(49 TYR C) -120.0 -60.0
 &rst     iat =   756,   758,   760,   777,
   r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
 &end
# 49 TYR PSI:  (49 TYR N)-(49 TYR CA)-(49 TYR C)-(50 ALA N)  95.0 155.0
 &rst     iat =   758,   760,   777,   779,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 50 ALA PHI:  (49 TYR C)-(50 ALA N)-(50 ALA CA)-(50 ALA C) -135.0 -75.0
 &rst     iat =   777,   779,   781,   787,
   r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
 &end
# 50 ALA PSI:  (50 ALA N)-(50 ALA CA)-(50 ALA C)-(51 GLY N)  99.0 159.0
 &rst     iat =   779,   781,   787,   789,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end
# 52 MET PHI:  (51 GLY C)-(52 MET N)-(52 MET CA)-(52 MET C) -151.0 -91.0
 &rst     iat =   794,   796,   798,   811,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end
# 52 MET PSI:  (52 MET N)-(52 MET CA)-(52 MET C)-(53 GLY N) 111.0 171.0
 &rst     iat =   796,   798,   811,   813,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end
# 53 GLY PHI:  (52 MET C)-(53 GLY N)-(53 GLY CA)-(53 GLY C) -173.0 -113.0
 &rst     iat =   811,   813,   815,   818,
   r1 = -174.0, r2 = -173.0, r3 = -113.0, r4 = -112.0,
 &end
# 53 GLY PSI:  (53 GLY N)-(53 GLY CA)-(53 GLY C)-(54 ASN N) 132.0 192.0
 &rst     iat =   813,   815,   818,   820,
   r1 = 131.0, r2 = 132.0, r3 = 192.0, r4 = 193.0,
 &end
# 54 ASN PHI:  (53 GLY C)-(54 ASN N)-(54 ASN CA)-(54 ASN C) -151.0 -91.0
 &rst     iat =   818,   820,   822,   832,
   r1 = -152.0, r2 = -151.0, r3 = -91.0, r4 = -90.0,
 &end
# 54 ASN PSI:  (54 ASN N)-(54 ASN CA)-(54 ASN C)-(55 SER N) 112.0 172.0
 &rst     iat =   820,   822,   832,   834,
   r1 = 111.0, r2 = 112.0, r3 = 172.0, r4 = 173.0,
 &end
# 57 ASN PHI:  (56 THR C)-(57 ASN N)-(57 ASN CA)-(57 ASN C) -142.0 -82.0
 &rst     iat =   857,   859,   861,   871,
   r1 = -143.0, r2 = -142.0, r3 = -82.0, r4 = -81.0,
 &end
# 57 ASN PSI:  (57 ASN N)-(57 ASN CA)-(57 ASN C)-(58 LYS N) 122.0 182.0
 &rst     iat =   859,   861,   871,   873,
   r1 = 121.0, r2 = 122.0, r3 = 182.0, r4 = 183.0,
 &end
# 58 LYS PHI:  (57 ASN C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -88.0 -28.0
 &rst     iat =   871,   873,   875,   893,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end
# 58 LYS PSI:  (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 LYS N) -69.0  -9.0
 &rst     iat =   873,   875,   893,   895,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 59 LYS PHI:  (58 LYS C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -93.0 -33.0
 &rst     iat =   893,   895,   897,   915,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end
# 59 LYS PSI:  (59 LYS N)-(59 LYS CA)-(59 LYS C)-(60 ASP N) -72.0 -12.0
 &rst     iat =   895,   897,   915,   917,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 60 ASP PHI:  (59 LYS C)-(60 ASP N)-(60 ASP CA)-(60 ASP C) -95.0 -35.0
 &rst     iat =   915,   917,   919,   927,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 60 ASP PSI:  (60 ASP N)-(60 ASP CA)-(60 ASP C)-(61 ALA N) -69.0  -9.0
 &rst     iat =   917,   919,   927,   929,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end
# 61 ALA PHI:  (60 ASP C)-(61 ALA N)-(61 ALA CA)-(61 ALA C) -94.0 -34.0
 &rst     iat =   927,   929,   931,   937,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 61 ALA PSI:  (61 ALA N)-(61 ALA CA)-(61 ALA C)-(62 GLN N) -73.0 -13.0
 &rst     iat =   929,   931,   937,   939,
   r1 = -74.0, r2 = -73.0, r3 = -13.0, r4 = -12.0,
 &end
# 62 GLN PHI:  (61 ALA C)-(62 GLN N)-(62 GLN CA)-(62 GLN C) -98.0 -38.0
 &rst     iat =   937,   939,   941,   954,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 62 GLN PSI:  (62 GLN N)-(62 GLN CA)-(62 GLN C)-(63 SER N) -74.0 -14.0
 &rst     iat =   939,   941,   954,   956,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 63 SER PHI:  (62 GLN C)-(63 SER N)-(63 SER CA)-(63 SER C) -96.0 -36.0
 &rst     iat =   954,   956,   958,   965,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 63 SER PSI:  (63 SER N)-(63 SER CA)-(63 SER C)-(64 ASN N) -74.0 -14.0
 &rst     iat =   956,   958,   965,   967,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 64 ASN PHI:  (63 SER C)-(64 ASN N)-(64 ASN CA)-(64 ASN C) -92.0 -32.0
 &rst     iat =   965,   967,   969,   979,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 64 ASN PSI:  (64 ASN N)-(64 ASN CA)-(64 ASN C)-(65 ALA N) -71.0 -11.0
 &rst     iat =   967,   969,   979,   981,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 65 ALA PHI:  (64 ASN C)-(65 ALA N)-(65 ALA CA)-(65 ALA C) -95.0 -35.0
 &rst     iat =   979,   981,   983,   989,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 65 ALA PSI:  (65 ALA N)-(65 ALA CA)-(65 ALA C)-(66 ALA N) -72.0 -12.0
 &rst     iat =   981,   983,   989,   991,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end
# 66 ALA PHI:  (65 ALA C)-(66 ALA N)-(66 ALA CA)-(66 ALA C) -92.0 -32.0
 &rst     iat =   989,   991,   993,   999,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end
# 66 ALA PSI:  (66 ALA N)-(66 ALA CA)-(66 ALA C)-(67 ARG N) -68.0  -8.0
 &rst     iat =   991,   993,   999,  1001,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end
# 67 ARG PHI:  (66 ALA C)-(67 ARG N)-(67 ARG CA)-(67 ARG C) -96.0 -36.0
 &rst     iat =   999,  1001,  1003,  1023,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end
# 67 ARG PSI:  (67 ARG N)-(67 ARG CA)-(67 ARG C)-(68 ASP N) -71.0 -11.0
 &rst     iat =  1001,  1003,  1023,  1025,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end
# 68 ASP PHI:  (67 ARG C)-(68 ASP N)-(68 ASP CA)-(68 ASP C) -91.0 -31.0
 &rst     iat =  1023,  1025,  1027,  1035,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 68 ASP PSI:  (68 ASP N)-(68 ASP CA)-(68 ASP C)-(69 PHE N) -75.0 -15.0
 &rst     iat =  1025,  1027,  1035,  1037,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end
# 69 PHE CHI1:  (69 PHE N)-(69 PHE CA)-(69 PHE CB)-(69 PHE CG) -200.0 -160.0
 &rst     iat =  1037,  1039,  1041,  1044,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 69 PHE CHI2:  (69 PHE CA)-(69 PHE CB)-(69 PHE CG)-(69 PHE CD1)  70.0 110.0
 &rst     iat =  1039,  1041,  1044,  1045,
   r1 =  69.0, r2 =  70.0, r3 = 110.0, r4 = 111.0,
 &end
# 69 PHE PHI:  (68 ASP C)-(69 PHE N)-(69 PHE CA)-(69 PHE C) -94.0 -34.0
 &rst     iat =  1035,  1037,  1039,  1055,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 69 PHE PSI:  (69 PHE N)-(69 PHE CA)-(69 PHE C)-(70 VAL N) -77.0 -17.0
 &rst     iat =  1037,  1039,  1055,  1057,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end
# 70 VAL CHI1:  (70 VAL N)-(70 VAL CA)-(70 VAL CB)-(70 VAL CG1) -200.0 -160.0
 &rst     iat =  1057,  1059,  1061,  1063,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 70 VAL PHI:  (69 PHE C)-(70 VAL N)-(70 VAL CA)-(70 VAL C) -94.0 -34.0
 &rst     iat =  1055,  1057,  1059,  1071,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 70 VAL PSI:  (70 VAL N)-(70 VAL CA)-(70 VAL C)-(71 ASN N) -76.0 -16.0
 &rst     iat =  1057,  1059,  1071,  1073,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end
# 71 ASN PHI:  (70 VAL C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -91.0 -31.0
 &rst     iat =  1071,  1073,  1075,  1085,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 71 ASN PSI:  (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 TYR N) -70.0 -10.0
 &rst     iat =  1073,  1075,  1085,  1087,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 72 TYR CHI1:  (72 TYR N)-(72 TYR CA)-(72 TYR CB)-(72 TYR CG) -200.0 -160.0
 &rst     iat =  1087,  1089,  1091,  1094,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 72 TYR PHI:  (71 ASN C)-(72 TYR N)-(72 TYR CA)-(72 TYR C) -94.0 -34.0
 &rst     iat =  1085,  1087,  1089,  1106,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 72 TYR PSI:  (72 TYR N)-(72 TYR CA)-(72 TYR C)-(73 LEU N) -76.0 -16.0
 &rst     iat =  1087,  1089,  1106,  1108,
   r1 = -77.0, r2 = -76.0, r3 = -16.0, r4 = -15.0,
 &end
# 73 LEU CHI1:  (73 LEU N)-(73 LEU CA)-(73 LEU CB)-(73 LEU CG) -80.0 -40.0
 &rst     iat =  1108,  1110,  1112,  1115,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 73 LEU CHI2:  (73 LEU CA)-(73 LEU CB)-(73 LEU CG)-(73 LEU CD1) -200.0 -160.0
 &rst     iat =  1110,  1112,  1115,  1117,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 73 LEU PHI:  (72 TYR C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -87.0 -27.0
 &rst     iat =  1106,  1108,  1110,  1125,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end
# 73 LEU PSI:  (73 LEU N)-(73 LEU CA)-(73 LEU C)-(74 VAL N) -74.0 -14.0
 &rst     iat =  1108,  1110,  1125,  1127,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end
# 74 VAL CHI1:  (74 VAL N)-(74 VAL CA)-(74 VAL CB)-(74 VAL CG1) -200.0 -160.0
 &rst     iat =  1127,  1129,  1131,  1133,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 74 VAL PHI:  (73 LEU C)-(74 VAL N)-(74 VAL CA)-(74 VAL C) -94.0 -34.0
 &rst     iat =  1125,  1127,  1129,  1141,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 74 VAL PSI:  (74 VAL N)-(74 VAL CA)-(74 VAL C)-(75 ARG N) -70.0 -10.0
 &rst     iat =  1127,  1129,  1141,  1143,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 75 ARG PHI:  (74 VAL C)-(75 ARG N)-(75 ARG CA)-(75 ARG C) -91.0 -31.0
 &rst     iat =  1141,  1143,  1145,  1165,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 75 ARG PSI:  (75 ARG N)-(75 ARG CA)-(75 ARG C)-(76 ILE N) -64.0  -4.0
 &rst     iat =  1143,  1145,  1165,  1167,
   r1 = -65.0, r2 = -64.0, r3 =  -4.0, r4 =  -3.0,
 &end
# 76 ILE PHI:  (75 ARG C)-(76 ILE N)-(76 ILE CA)-(76 ILE C) -125.0 -65.0
 &rst     iat =  1165,  1167,  1169,  1184,
   r1 = -126.0, r2 = -125.0, r3 = -65.0, r4 = -64.0,
 &end
# 76 ILE PSI:  (76 ILE N)-(76 ILE CA)-(76 ILE C)-(77 ASN N) -30.0  30.0
 &rst     iat =  1167,  1169,  1184,  1186,
   r1 = -31.0, r2 = -30.0, r3 =  30.0, r4 =  31.0,
 &end
# 79 VAL CHI1:  (79 VAL N)-(79 VAL CA)-(79 VAL CB)-(79 VAL CG1) -200.0 -160.0
 &rst     iat =  1215,  1217,  1219,  1221,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 79 VAL PHI:  (78 GLU C)-(79 VAL N)-(79 VAL CA)-(79 VAL C) -147.0 -87.0
 &rst     iat =  1213,  1215,  1217,  1229,
   r1 = -148.0, r2 = -147.0, r3 = -87.0, r4 = -86.0,
 &end
# 79 VAL PSI:  (79 VAL N)-(79 VAL CA)-(79 VAL C)-(80 LYS N) 109.0 169.0
 &rst     iat =  1215,  1217,  1229,  1231,
   r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
 &end
# 80 LYS PHI:  (79 VAL C)-(80 LYS N)-(80 LYS CA)-(80 LYS C) -115.0 -55.0
 &rst     iat =  1229,  1231,  1233,  1251,
   r1 = -116.0, r2 = -115.0, r3 = -55.0, r4 = -54.0,
 &end
# 80 LYS PSI:  (80 LYS N)-(80 LYS CA)-(80 LYS C)-(81 SER N) 109.0 169.0
 &rst     iat =  1231,  1233,  1251,  1253,
   r1 = 108.0, r2 = 109.0, r3 = 169.0, r4 = 170.0,
 &end
# 81 SER PHI:  (80 LYS C)-(81 SER N)-(81 SER CA)-(81 SER C) -91.0 -31.0
 &rst     iat =  1251,  1253,  1255,  1262,
   r1 = -92.0, r2 = -91.0, r3 = -31.0, r4 = -30.0,
 &end
# 81 SER PSI:  (81 SER N)-(81 SER CA)-(81 SER C)-(82 GLU N) -63.0  -3.0
 &rst     iat =  1253,  1255,  1262,  1264,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end
# 82 GLU PHI:  (81 SER C)-(82 GLU N)-(82 GLU CA)-(82 GLU C) -99.0 -39.0
 &rst     iat =  1262,  1264,  1266,  1277,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end
# 82 GLU PSI:  (82 GLU N)-(82 GLU CA)-(82 GLU C)-(83 GLU N) -58.0   2.0
 &rst     iat =  1264,  1266,  1277,  1279,
   r1 = -59.0, r2 = -58.0, r3 =   2.0, r4 =   3.0,
 &end
# 84 VAL CHI1:  (84 VAL N)-(84 VAL CA)-(84 VAL CB)-(84 VAL CG1) -200.0 -160.0
 &rst     iat =  1294,  1296,  1298,  1300,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end
# 84 VAL PHI:  (83 GLU C)-(84 VAL N)-(84 VAL CA)-(84 VAL C) -122.0 -62.0
 &rst     iat =  1292,  1294,  1296,  1308,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end
# 84 VAL PSI:  (84 VAL N)-(84 VAL CA)-(84 VAL C)-(85 PRO N) 103.0 163.0
 &rst     iat =  1294,  1296,  1308,  1310,
   r1 = 102.0, r2 = 103.0, r3 = 163.0, r4 = 164.0,
 &end
# 86 ALA PHI:  (85 PRO C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -116.0 -56.0
 &rst     iat =  1322,  1324,  1326,  1332,
   r1 = -117.0, r2 = -116.0, r3 = -56.0, r4 = -55.0,
 &end
# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 VAL N) 111.0 171.0
 &rst     iat =  1324,  1326,  1332,  1334,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end
# 89 ILE PHI:  (88 GLY C)-(89 ILE N)-(89 ILE CA)-(89 ILE C) -124.0 -64.0
 &rst     iat =  1355,  1357,  1359,  1374,
   r1 = -125.0, r2 = -124.0, r3 = -64.0, r4 = -63.0,
 &end
# 89 ILE PSI:  (89 ILE N)-(89 ILE CA)-(89 ILE C)-(90 VAL N)  97.0 157.0
 &rst     iat =  1357,  1359,  1374,  1376,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -3           1H       GLY  -3  14.357 -13.539   2.804
    2    H2   GLY  -3           2H       GLY  -3  14.381 -11.934   2.483
    3    H3   GLY  -3           3H       GLY  -3  15.662 -12.872   2.070
    4    HA2  GLY  -3           1HA      GLY  -3  16.158 -13.326   4.380
    5    HA3  GLY  -3           2HA      GLY  -3  16.203 -11.588   4.024
    6    H    SER  -2           H        SER  -2  15.840 -12.594   6.631
    7    HA   SER  -2           HA       SER  -2  13.160 -12.965   7.432
    8    HB2  SER  -2           1HB      SER  -2  15.459 -11.903   9.106
    9    HB3  SER  -2           2HB      SER  -2  14.008 -12.738   9.688
   10    HG   SER  -2           HG       SER  -2  15.820 -14.160   9.533
   11    H    SER  -1           H        SER  -1  14.627  -9.941   6.596
   12    HA   SER  -1           HA       SER  -1  12.789  -8.255   8.149
   13    HB2  SER  -1           1HB      SER  -1  13.915  -6.443   6.832
   14    HB3  SER  -1           2HB      SER  -1  15.012  -7.450   7.787
   15    HG   SER  -1           HG       SER  -1  15.794  -7.087   5.636
   16    H    GLY   0           H        GLY   0  12.368 -10.116   5.354
   17    HA2  GLY   0           1HA      GLY   0  10.516 -10.241   3.937
   18    HA3  GLY   0           2HA      GLY   0   9.875  -8.746   4.646
   19    H    SER   1           H        SER   1   9.515  -7.413   2.971
   20    HA   SER   1           HA       SER   1  11.725  -6.424   1.339
   21    HB2  SER   1           1HB      SER   1  10.646  -6.889  -0.814
   22    HB3  SER   1           2HB      SER   1  11.075  -8.378   0.032
   23    HG   SER   1           HG       SER   1   8.966  -8.499  -0.860
   24    H    SER   2           H        SER   2  11.054  -4.568  -0.030
   25    HA   SER   2           HA       SER   2   8.726  -3.029   1.070
   26    HB2  SER   2           1HB      SER   2  11.600  -2.045   0.909
   27    HB3  SER   2           2HB      SER   2  10.212  -1.161   1.556
   28    HG   SER   2           HG       SER   2  11.635  -2.148   3.145
   29    H    GLY   3           H        GLY   3   9.426  -4.217  -1.698
   30    HA2  GLY   3           1HA      GLY   3  10.552  -2.226  -3.368
   31    HA3  GLY   3           2HA      GLY   3   9.622  -3.632  -3.917
   32    H    ILE   4           H        ILE   4   7.112  -2.915  -2.741
   33    HA   ILE   4           HA       ILE   4   6.264  -0.915  -4.719
   34    HB   ILE   4           HB       ILE   4   4.950  -2.956  -4.288
   35   HG12  ILE   4          1HG1      ILE   4   2.722  -1.950  -4.230
   36   HG13  ILE   4          2HG1      ILE   4   3.380  -0.406  -3.705
   37   HG21  ILE   4          1HG2      ILE   4   5.231  -3.094  -1.812
   38   HG22  ILE   4          2HG2      ILE   4   4.171  -1.678  -1.630
   39   HG23  ILE   4          3HG2      ILE   4   3.543  -3.183  -2.314
   40   HD11  ILE   4          3HD1      ILE   4   2.833  -0.467  -6.126
   41   HD12  ILE   4          1HD1      ILE   4   4.553  -0.167  -5.875
   42   HD13  ILE   4          2HD1      ILE   4   3.992  -1.789  -6.359
   43    H    LYS   5           H        LYS   5   6.686  -0.902  -1.230
   44    HA   LYS   5           HA       LYS   5   5.607   1.720  -0.685
   45    HB2  LYS   5           1HB      LYS   5   6.253  -0.273   0.854
   46    HB3  LYS   5           2HB      LYS   5   7.898   0.320   0.760
   47    HG2  LYS   5           1HG      LYS   5   5.476   1.771   1.915
   48    HG3  LYS   5           2HG      LYS   5   6.801   1.019   2.803
   49    HD2  LYS   5           1HD      LYS   5   8.340   2.695   1.516
   50    HD3  LYS   5           2HD      LYS   5   6.847   3.583   1.185
   51    HE2  LYS   5           1HE      LYS   5   8.017   2.872   3.912
   52    HE3  LYS   5           2HE      LYS   5   8.020   4.461   3.144
   53    HZ1  LYS   5           3HZ      LYS   5   6.265   4.412   4.719
   54    HZ2  LYS   5           1HZ      LYS   5   5.530   4.353   3.259
   55    HZ3  LYS   5           2HZ      LYS   5   5.656   3.006   4.197
   56    H    ASN   6           H        ASN   6   8.904   0.545  -1.454
   57    HA   ASN   6           HA       ASN   6  10.152   3.110  -1.656
   58    HB2  ASN   6           1HB      ASN   6  11.331   0.935  -1.357
   59    HB3  ASN   6           2HB      ASN   6  10.859   0.470  -2.995
   60   HD21  ASN   6          2HD2      ASN   6  12.821   2.820  -1.112
   61   HD22  ASN   6          1HD2      ASN   6  13.881   3.220  -2.451
   62    H    PHE   7           H        PHE   7   8.327   1.169  -4.076
   63    HA   PHE   7           HA       PHE   7   9.127   2.734  -6.343
   64    HB2  PHE   7           1HB      PHE   7   8.218   0.470  -6.539
   65    HB3  PHE   7           2HB      PHE   7   6.661   1.013  -5.916
   66    HD1  PHE   7           2HD      PHE   7   8.969   1.065  -8.801
   67    HD2  PHE   7           1HD      PHE   7   5.141   2.357  -7.307
   68    HE1  PHE   7           2HE      PHE   7   8.274   1.674 -11.106
   69    HE2  PHE   7           1HE      PHE   7   4.458   2.990  -9.610
   70    HZ   PHE   7           HZ       PHE   7   6.014   2.634 -11.515
   71    H    LEU   8           H        LEU   8   6.191   2.957  -4.231
   72    HA   LEU   8           HA       LEU   8   5.131   5.262  -5.567
   73    HB2  LEU   8           1HB      LEU   8   3.842   3.796  -4.030
   74    HB3  LEU   8           2HB      LEU   8   4.831   4.351  -2.674
   75    HG   LEU   8           HG       LEU   8   3.950   6.601  -2.838
   76   HD11  LEU   8          1HD1      LEU   8   3.628   6.878  -5.263
   77   HD12  LEU   8          2HD1      LEU   8   2.341   5.653  -5.252
   78   HD13  LEU   8          3HD1      LEU   8   2.125   7.205  -4.409
   79   HD21  LEU   8          3HD2      LEU   8   1.601   6.162  -2.252
   80   HD22  LEU   8          1HD2      LEU   8   1.695   4.555  -3.004
   81   HD23  LEU   8          2HD2      LEU   8   2.658   4.923  -1.557
   82    H    TYR   9           H        TYR   9   7.348   4.979  -2.753
   83    HA   TYR   9           HA       TYR   9   7.582   7.758  -2.268
   84    HB2  TYR   9           1HB      TYR   9   8.258   5.883  -0.756
   85    HB3  TYR   9           2HB      TYR   9   9.658   5.589  -1.777
   86    HD1  TYR   9           1HD      TYR   9  11.559   7.185  -1.802
   87    HD2  TYR   9           2HD      TYR   9   8.104   7.840   0.695
   88    HE1  TYR   9           1HE      TYR   9  12.808   8.919  -0.535
   89    HE2  TYR   9           2HE      TYR   9   9.351   9.578   1.968
   90    HH   TYR   9           HH       TYR   9  12.744  10.454   1.181
   91    H    ALA  10           H        ALA  10   9.594   5.661  -4.381
   92    HA   ALA  10           HA       ALA  10  11.365   7.742  -5.279
   93    HB1  ALA  10           1HB      ALA  10  11.899   5.331  -5.393
   94    HB2  ALA  10           2HB      ALA  10  10.584   5.085  -6.566
   95    HB3  ALA  10           3HB      ALA  10  11.990   6.081  -6.998
   96    H    TRP  11           H        TRP  11   8.272   6.491  -6.641
   97    HA   TRP  11           HA       TRP  11   8.239   8.091  -8.999
   98    HB2  TRP  11           1HB      TRP  11   6.731   6.204  -8.599
   99    HB3  TRP  11           2HB      TRP  11   5.976   7.039  -7.256
  100    HD1  TRP  11           HD       TRP  11   6.046   6.969 -11.060
  101    HE1  TRP  11           1HE      TRP  11   4.115   8.351 -11.992
  102    HE3  TRP  11           3HE      TRP  11   4.326   9.009  -6.690
  103    HZ2  TRP  11           2HZ      TRP  11   2.160  10.245 -10.991
  104    HZ3  TRP  11           3HZ      TRP  11   2.384  10.544  -6.702
  105    HH2  TRP  11           HH       TRP  11   1.294  11.173  -8.844
  106    H    CYS  12           H        CYS  12   6.910   8.755  -5.744
  107    HA   CYS  12           HA       CYS  12   6.060  11.449  -6.201
  108    HB2  CYS  12           1HB      CYS  12   7.113  10.056  -3.699
  109    HB3  CYS  12           2HB      CYS  12   6.378  11.662  -3.709
  110    HG   CYS  12           HG       CYS  12   5.062   8.751  -4.503
  111    H    GLY  13           H        GLY  13   9.258  10.249  -5.070
  112    HA2  GLY  13           1HA      GLY  13  10.474  12.795  -4.752
  113    HA3  GLY  13           2HA      GLY  13  11.326  11.247  -4.954
  114    H    LYS  14           H        LYS  14  10.114  10.844  -7.690
  115    HA   LYS  14           HA       LYS  14  11.978  12.464  -9.288
  116    HB2  LYS  14           1HB      LYS  14   9.932  10.297  -9.909
  117    HB3  LYS  14           2HB      LYS  14  10.840  11.142 -11.170
  118    HG2  LYS  14           1HG      LYS  14  12.963  10.365 -10.308
  119    HG3  LYS  14           2HG      LYS  14  12.210   9.690  -8.867
  120    HD2  LYS  14           1HD      LYS  14  12.737   7.900 -10.390
  121    HD3  LYS  14           2HD      LYS  14  10.979   8.045 -10.253
  122    HE2  LYS  14           1HE      LYS  14  10.904   9.282 -12.405
  123    HE3  LYS  14           2HE      LYS  14  12.668   9.218 -12.517
  124    HZ1  LYS  14           3HZ      LYS  14  11.631   7.478 -13.844
  125    HZ2  LYS  14           1HZ      LYS  14  12.507   6.796 -12.648
  126    HZ3  LYS  14           2HZ      LYS  14  10.875   6.851 -12.539
  127    H    ARG  15           H        ARG  15   8.906  13.008  -8.075
  128    HA   ARG  15           HA       ARG  15   8.198  15.062 -10.129
  129    HB2  ARG  15           1HB      ARG  15   6.435  13.384  -8.306
  130    HB3  ARG  15           2HB      ARG  15   5.859  14.644  -9.411
  131    HG2  ARG  15           1HG      ARG  15   6.737  13.331 -11.344
  132    HG3  ARG  15           2HG      ARG  15   7.297  12.084 -10.251
  133    HD2  ARG  15           1HD      ARG  15   5.248  11.334 -11.164
  134    HD3  ARG  15           2HD      ARG  15   4.968  11.710  -9.469
  135    HE   ARG  15           HE       ARG  15   3.925  13.852 -10.193
  136   HH11  ARG  15          1HH1      ARG  15   4.050  11.320 -12.719
  137   HH12  ARG  15          2HH1      ARG  15   2.547  11.932 -13.408
  138   HH21  ARG  15          1HH2      ARG  15   2.059  14.527 -11.315
  139   HH22  ARG  15          2HH2      ARG  15   1.540  13.560 -12.694
  140    H    LYS  16           H        LYS  16   9.732  15.023  -7.322
  141    HA   LYS  16           HA       LYS  16  10.115  16.419  -5.596
  142    HB2  LYS  16           1HB      LYS  16   8.516  18.478  -7.172
  143    HB3  LYS  16           2HB      LYS  16   9.615  18.797  -5.831
  144    HG2  LYS  16           1HG      LYS  16  11.507  17.846  -7.142
  145    HG3  LYS  16           2HG      LYS  16  10.416  17.604  -8.521
  146    HD2  LYS  16           1HD      LYS  16   9.947  20.038  -8.587
  147    HD3  LYS  16           2HD      LYS  16  11.048  20.285  -7.213
  148    HE2  LYS  16           1HE      LYS  16  12.921  19.335  -8.549
  149    HE3  LYS  16           2HE      LYS  16  11.826  19.094  -9.917
  150    HZ1  LYS  16           3HZ      LYS  16  13.085  21.150 -10.144
  151    HZ2  LYS  16           1HZ      LYS  16  11.498  21.504  -9.993
  152    HZ3  LYS  16           2HZ      LYS  16  12.511  21.727  -8.728
  153    H    MET  17           H        MET  17   7.909  14.637  -5.342
  154    HA   MET  17           HA       MET  17   6.211  15.993  -3.267
  155    HB2  MET  17           1HB      MET  17   5.545  13.636  -5.082
  156    HB3  MET  17           2HB      MET  17   4.493  14.284  -3.823
  157    HG2  MET  17           1HG      MET  17   4.522  16.496  -5.026
  158    HG3  MET  17           2HG      MET  17   5.370  15.710  -6.354
  159    HE1  MET  17           3HE      MET  17   2.665  13.077  -7.573
  160    HE2  MET  17           1HE      MET  17   4.350  13.603  -7.687
  161    HE3  MET  17           2HE      MET  17   3.777  12.743  -6.240
  162    H    THR  18           H        THR  18   5.318  14.350  -1.708
  163    HA   THR  18           HA       THR  18   7.065  12.035  -1.066
  164    HB   THR  18           HB       THR  18   6.261  14.128   0.994
  165    HG1  THR  18           1HG      THR  18   8.464  14.636   0.988
  166   HG21  THR  18          3HG2      THR  18   7.845  12.893   2.456
  167   HG22  THR  18          1HG2      THR  18   6.511  11.855   1.951
  168   HG23  THR  18          2HG2      THR  18   8.102  11.693   1.172
  169    HA   PRO  19           HA       PRO  19   2.804  10.612  -0.442
  170    HB2  PRO  19           1HB      PRO  19   3.209   8.002   0.188
  171    HB3  PRO  19           2HB      PRO  19   3.523   8.638  -1.456
  172    HG2  PRO  19           1HG      PRO  19   5.525   8.182   0.779
  173    HG3  PRO  19           2HG      PRO  19   5.648   7.679  -0.936
  174    HD2  PRO  19           1HD      PRO  19   6.802   9.975   0.059
  175    HD3  PRO  19           2HD      PRO  19   6.198   9.858  -1.615
  176    H    ALA  20           H        ALA  20   1.402  10.276   1.270
  177    HA   ALA  20           HA       ALA  20   2.550  10.356   4.040
  178    HB1  ALA  20           1HB      ALA  20   1.641  12.532   3.351
  179    HB2  ALA  20           2HB      ALA  20   0.093  11.766   2.921
  180    HB3  ALA  20           3HB      ALA  20   0.636  11.786   4.613
  181    H    TYR  21           H        TYR  21   2.149   8.584   5.096
  182    HA   TYR  21           HA       TYR  21  -0.128   6.806   4.403
  183    HB2  TYR  21           1HB      TYR  21   2.408   6.364   6.021
  184    HB3  TYR  21           2HB      TYR  21   1.132   5.177   5.846
  185    HD1  TYR  21           1HD      TYR  21   3.695   7.108   3.906
  186    HD2  TYR  21           2HD      TYR  21   1.002   3.743   3.956
  187    HE1  TYR  21           1HE      TYR  21   4.761   6.221   1.841
  188    HE2  TYR  21           2HE      TYR  21   2.096   2.826   1.926
  189    HH   TYR  21           HH       TYR  21   3.729   3.148   0.325
  190    H    GLU  22           H        GLU  22  -1.489   5.934   5.993
  191    HA   GLU  22           HA       GLU  22  -1.625   7.186   8.693
  192    HB2  GLU  22           1HB      GLU  22  -2.858   8.602   7.103
  193    HB3  GLU  22           2HB      GLU  22  -3.810   7.212   6.566
  194    HG2  GLU  22           1HG      GLU  22  -4.809   7.005   8.804
  195    HG3  GLU  22           2HG      GLU  22  -3.784   8.318   9.403
  196    H    ILE  23           H        ILE  23  -2.250   5.683  10.225
  197    HA   ILE  23           HA       ILE  23  -3.149   2.987   9.268
  198    HB   ILE  23           HB       ILE  23  -0.788   3.700  11.039
  199   HG12  ILE  23          1HG1      ILE  23  -1.042   2.128   8.436
  200   HG13  ILE  23          2HG1      ILE  23  -0.406   3.766   8.591
  201   HG21  ILE  23          1HG2      ILE  23  -1.926   1.784  12.115
  202   HG22  ILE  23          2HG2      ILE  23  -1.909   0.899  10.568
  203   HG23  ILE  23          3HG2      ILE  23  -0.403   1.300  11.417
  204   HD11  ILE  23          3HD1      ILE  23   1.462   2.368   8.345
  205   HD12  ILE  23          1HD1      ILE  23   1.438   2.836  10.056
  206   HD13  ILE  23          2HD1      ILE  23   0.889   1.212   9.555
  207    H    ARG  24           H        ARG  24  -4.294   1.716  10.594
  208    HA   ARG  24           HA       ARG  24  -5.241   2.720  13.239
  209    HB2  ARG  24           1HB      ARG  24  -6.902   3.237  11.412
  210    HB3  ARG  24           2HB      ARG  24  -6.986   1.509  11.056
  211    HG2  ARG  24           1HG      ARG  24  -7.850   1.069  13.336
  212    HG3  ARG  24           2HG      ARG  24  -7.734   2.798  13.717
  213    HD2  ARG  24           1HD      ARG  24  -9.381   3.284  11.908
  214    HD3  ARG  24           2HD      ARG  24  -9.442   1.568  11.508
  215    HE   ARG  24           HE       ARG  24 -10.755   1.130  13.356
  216   HH11  ARG  24          1HH1      ARG  24  -9.636   4.477  13.660
  217   HH12  ARG  24          2HH1      ARG  24 -10.737   4.817  14.961
  218   HH21  ARG  24          1HH2      ARG  24 -12.141   1.639  15.032
  219   HH22  ARG  24          2HH2      ARG  24 -12.130   3.232  15.725
  220    H    ALA  25           H        ALA  25  -5.473   1.124  14.757
  221    HA   ALA  25           HA       ALA  25  -4.683  -1.673  14.075
  222    HB1  ALA  25           1HB      ALA  25  -3.482  -0.515  15.920
  223    HB2  ALA  25           2HB      ALA  25  -5.021  -0.315  16.785
  224    HB3  ALA  25           3HB      ALA  25  -4.374  -1.943  16.483
  225    H    VAL  26           H        VAL  26  -6.079  -3.375  14.290
  226    HA   VAL  26           HA       VAL  26  -8.845  -2.992  15.312
  227    HB   VAL  26           HB       VAL  26  -9.826  -3.942  13.258
  228   HG11  VAL  26          1HG1      VAL  26  -9.804  -1.480  13.618
  229   HG12  VAL  26          2HG1      VAL  26  -8.333  -1.372  12.618
  230   HG13  VAL  26          3HG1      VAL  26  -9.852  -1.951  11.913
  231   HG21  VAL  26          3HG2      VAL  26  -8.603  -3.983  11.133
  232   HG22  VAL  26          1HG2      VAL  26  -7.102  -3.506  11.950
  233   HG23  VAL  26          2HG2      VAL  26  -7.856  -5.078  12.295
  234    H    GLY  27           H        GLY  27 -10.081  -5.069  15.330
  235    HA2  GLY  27           1HA      GLY  27 -10.298  -7.382  15.521
  236    HA3  GLY  27           2HA      GLY  27  -8.594  -7.581  15.080
  237    H    ASN  28           H        ASN  28  -8.746  -9.268  16.672
  238    HA   ASN  28           HA       ASN  28  -9.311  -8.890  19.425
  239    HB2  ASN  28           1HB      ASN  28  -9.446 -11.036  18.271
  240    HB3  ASN  28           2HB      ASN  28  -7.719 -11.002  17.918
  241   HD21  ASN  28          2HD2      ASN  28 -10.140 -11.548  20.465
  242   HD22  ASN  28          1HD2      ASN  28  -8.993 -12.211  21.616
  243    H    LYS  29           H        LYS  29  -8.051  -8.564  21.244
  244    HA   LYS  29           HA       LYS  29  -5.802  -6.871  21.059
  245    HB2  LYS  29           1HB      LYS  29  -7.424  -6.962  22.897
  246    HB3  LYS  29           2HB      LYS  29  -6.827  -8.553  23.391
  247    HG2  LYS  29           1HG      LYS  29  -4.627  -7.608  23.934
  248    HG3  LYS  29           2HG      LYS  29  -5.121  -6.026  23.327
  249    HD2  LYS  29           1HD      LYS  29  -6.376  -7.482  25.701
  250    HD3  LYS  29           2HD      LYS  29  -5.136  -6.226  25.818
  251    HE2  LYS  29           1HE      LYS  29  -6.670  -4.609  24.693
  252    HE3  LYS  29           2HE      LYS  29  -7.927  -5.852  24.635
  253    HZ1  LYS  29           3HZ      LYS  29  -8.214  -4.402  26.548
  254    HZ2  LYS  29           1HZ      LYS  29  -7.887  -5.916  27.066
  255    HZ3  LYS  29           2HZ      LYS  29  -6.728  -4.762  27.121
  256    H    ASN  30           H        ASN  30  -5.833 -10.383  21.684
  257    HA   ASN  30           HA       ASN  30  -2.916 -10.531  21.989
  258    HB2  ASN  30           1HB      ASN  30  -4.443 -11.964  23.285
  259    HB3  ASN  30           2HB      ASN  30  -5.050 -12.696  21.798
  260   HD21  ASN  30          2HD2      ASN  30  -2.145 -12.368  23.883
  261   HD22  ASN  30          1HD2      ASN  30  -1.362 -13.809  23.259
  262    H    ARG  31           H        ARG  31  -5.272 -11.153  19.425
  263    HA   ARG  31           HA       ARG  31  -3.092 -11.788  17.465
  264    HB2  ARG  31           1HB      ARG  31  -6.005 -12.672  17.506
  265    HB3  ARG  31           2HB      ARG  31  -4.850 -12.989  16.202
  266    HG2  ARG  31           1HG      ARG  31  -3.400 -14.245  17.780
  267    HG3  ARG  31           2HG      ARG  31  -4.565 -13.949  19.084
  268    HD2  ARG  31           1HD      ARG  31  -6.313 -15.166  17.783
  269    HD3  ARG  31           2HD      ARG  31  -5.128 -15.479  16.514
  270    HE   ARG  31           HE       ARG  31  -4.138 -17.123  17.794
  271   HH11  ARG  31          1HH1      ARG  31  -6.347 -15.370  19.938
  272   HH12  ARG  31          2HH1      ARG  31  -6.178 -16.541  21.211
  273   HH21  ARG  31          1HH2      ARG  31  -3.963 -18.580  19.478
  274   HH22  ARG  31          2HH2      ARG  31  -4.844 -18.327  20.953
  275    H    GLN  32           H        GLN  32  -2.874  -9.401  17.538
  276    HA   GLN  32           HA       GLN  32  -5.018  -7.701  16.686
  277    HB2  GLN  32           1HB      GLN  32  -2.914  -7.272  18.225
  278    HB3  GLN  32           2HB      GLN  32  -2.079  -6.954  16.709
  279    HG2  GLN  32           1HG      GLN  32  -2.761  -4.855  17.537
  280    HG3  GLN  32           2HG      GLN  32  -3.892  -5.189  16.236
  281   HE21  GLN  32          2HE2      GLN  32  -6.174  -5.266  16.804
  282   HE22  GLN  32          1HE2      GLN  32  -6.708  -5.137  18.465
  283    H    LYS  33           H        LYS  33  -5.185  -6.397  14.841
  284    HA   LYS  33           HA       LYS  33  -3.586  -7.060  12.421
  285    HB2  LYS  33           1HB      LYS  33  -6.621  -6.967  12.717
  286    HB3  LYS  33           2HB      LYS  33  -5.794  -6.855  11.161
  287    HG2  LYS  33           1HG      LYS  33  -4.759  -9.085  11.554
  288    HG3  LYS  33           2HG      LYS  33  -5.628  -9.209  13.097
  289    HD2  LYS  33           1HD      LYS  33  -7.790  -9.051  11.891
  290    HD3  LYS  33           2HD      LYS  33  -6.917  -8.941  10.345
  291    HE2  LYS  33           1HE      LYS  33  -5.884 -11.163  10.775
  292    HE3  LYS  33           2HE      LYS  33  -6.743 -11.271  12.317
  293    HZ1  LYS  33           3HZ      LYS  33  -7.908 -12.477  10.568
  294    HZ2  LYS  33           1HZ      LYS  33  -8.838 -11.234  11.076
  295    HZ3  LYS  33           2HZ      LYS  33  -8.043 -11.134   9.649
  296    H    PHE  34           H        PHE  34  -3.769  -5.396  10.754
  297    HA   PHE  34           HA       PHE  34  -4.291  -2.660  11.815
  298    HB2  PHE  34           1HB      PHE  34  -1.737  -3.614  10.467
  299    HB3  PHE  34           2HB      PHE  34  -2.125  -1.939  10.841
  300    HD1  PHE  34           2HD      PHE  34  -2.190  -1.125  13.187
  301    HD2  PHE  34           1HD      PHE  34  -1.105  -5.183  12.242
  302    HE1  PHE  34           2HE      PHE  34  -1.291  -1.426  15.488
  303    HE2  PHE  34           1HE      PHE  34  -0.200  -5.483  14.535
  304    HZ   PHE  34           HZ       PHE  34  -0.295  -3.601  16.163
  305    H    MET  35           H        MET  35  -4.911  -1.179  10.409
  306    HA   MET  35           HA       MET  35  -5.275  -1.882   7.521
  307    HB2  MET  35           1HB      MET  35  -6.960   0.078   9.128
  308    HB3  MET  35           2HB      MET  35  -7.201  -0.453   7.462
  309    HG2  MET  35           1HG      MET  35  -7.513  -2.826   8.417
  310    HG3  MET  35           2HG      MET  35  -7.517  -2.066  10.008
  311    HE1  MET  35           3HE      MET  35 -10.809  -1.729   6.795
  312    HE2  MET  35           1HE      MET  35  -9.178  -1.100   6.494
  313    HE3  MET  35           2HE      MET  35  -9.425  -2.840   6.768
  314    H    CYS  36           H        CYS  36  -4.794  -0.234   6.047
  315    HA   CYS  36           HA       CYS  36  -3.371   2.173   7.049
  316    HB2  CYS  36           1HB      CYS  36  -1.745   0.285   6.708
  317    HB3  CYS  36           2HB      CYS  36  -2.248   0.220   5.004
  318    HG   CYS  36           HG       CYS  36  -1.660   2.799   4.508
  319    H    GLU  37           H        GLU  37  -3.445   3.890   5.762
  320    HA   GLU  37           HA       GLU  37  -4.694   3.741   3.072
  321    HB2  GLU  37           1HB      GLU  37  -5.160   5.871   5.198
  322    HB3  GLU  37           2HB      GLU  37  -5.679   5.982   3.512
  323    HG2  GLU  37           1HG      GLU  37  -7.090   3.958   3.820
  324    HG3  GLU  37           2HG      GLU  37  -6.599   3.868   5.511
  325    H    VAL  38           H        VAL  38  -3.693   5.134   1.546
  326    HA   VAL  38           HA       VAL  38  -1.540   6.930   2.523
  327    HB   VAL  38           HB       VAL  38  -0.467   4.778   1.904
  328   HG11  VAL  38          1HG1      VAL  38  -1.969   4.189  -0.019
  329   HG12  VAL  38          2HG1      VAL  38  -1.179   5.472  -0.965
  330   HG13  VAL  38          3HG1      VAL  38  -0.237   4.092  -0.384
  331   HG21  VAL  38          3HG2      VAL  38   1.346   5.766   0.562
  332   HG22  VAL  38          1HG2      VAL  38   0.327   7.139   0.132
  333   HG23  VAL  38          2HG2      VAL  38   0.817   6.890   1.823
  334    H    ARG  39           H        ARG  39  -1.207   8.726   1.464
  335    HA   ARG  39           HA       ARG  39  -2.904   9.472  -0.882
  336    HB2  ARG  39           1HB      ARG  39  -2.625  10.844   1.832
  337    HB3  ARG  39           2HB      ARG  39  -3.329  11.629   0.412
  338    HG2  ARG  39           1HG      ARG  39  -5.074   9.924   0.270
  339    HG3  ARG  39           2HG      ARG  39  -4.425   9.072   1.675
  340    HD2  ARG  39           1HD      ARG  39  -5.411  11.956   1.770
  341    HD3  ARG  39           2HD      ARG  39  -6.433  10.562   2.081
  342    HE   ARG  39           HE       ARG  39  -5.310  10.070   4.078
  343   HH11  ARG  39          1HH1      ARG  39  -3.923  13.025   2.690
  344   HH12  ARG  39          2HH1      ARG  39  -3.214  13.487   4.207
  345   HH21  ARG  39          1HH2      ARG  39  -4.478  10.770   5.988
  346   HH22  ARG  39          2HH2      ARG  39  -3.498  12.215   6.040
  347    H    VAL  40           H        VAL  40  -2.197  11.453  -1.912
  348    HA   VAL  40           HA       VAL  40   0.576  12.394  -1.412
  349    HB   VAL  40           HB       VAL  40  -0.393  11.507  -4.166
  350   HG11  VAL  40          1HG1      VAL  40   1.117  13.435  -4.325
  351   HG12  VAL  40          2HG1      VAL  40   2.291  12.642  -3.249
  352   HG13  VAL  40          3HG1      VAL  40   1.955  11.983  -4.863
  353   HG21  VAL  40          3HG2      VAL  40   1.417   9.806  -4.071
  354   HG22  VAL  40          1HG2      VAL  40   1.759  10.260  -2.393
  355   HG23  VAL  40          2HG2      VAL  40   0.206   9.514  -2.823
  356    H    GLU  41           H        GLU  41   0.783  14.566  -1.764
  357    HA   GLU  41           HA       GLU  41  -1.518  16.198  -1.792
  358    HB2  GLU  41           1HB      GLU  41   0.684  16.781  -0.810
  359    HB3  GLU  41           2HB      GLU  41   1.357  16.976  -2.434
  360    HG2  GLU  41           1HG      GLU  41  -0.234  18.819  -2.882
  361    HG3  GLU  41           2HG      GLU  41  -0.995  18.565  -1.309
  362    H    GLY  42           H        GLY  42  -2.738  17.090  -3.344
  363    HA2  GLY  42           1HA      GLY  42  -3.284  18.024  -5.436
  364    HA3  GLY  42           2HA      GLY  42  -1.815  17.329  -6.158
  365    H    PHE  43           H        PHE  43  -3.269  14.864  -4.429
  366    HA   PHE  43           HA       PHE  43  -5.028  13.985  -6.687
  367    HB2  PHE  43           1HB      PHE  43  -3.148  12.289  -5.001
  368    HB3  PHE  43           2HB      PHE  43  -4.269  11.691  -6.211
  369    HD1  PHE  43           1HD      PHE  43  -3.828  11.995  -8.629
  370    HD2  PHE  43           2HD      PHE  43  -1.099  13.517  -5.658
  371    HE1  PHE  43           1HE      PHE  43  -2.117  12.369 -10.386
  372    HE2  PHE  43           2HE      PHE  43   0.591  13.914  -7.418
  373    HZ   PHE  43           HZ       PHE  43   0.095  13.329  -9.788
  374    H    ASN  44           H        ASN  44  -7.041  13.462  -6.130
  375    HA   ASN  44           HA       ASN  44  -7.877  13.890  -3.367
  376    HB2  ASN  44           1HB      ASN  44  -9.450  13.269  -5.895
  377    HB3  ASN  44           2HB      ASN  44 -10.164  13.721  -4.350
  378   HD21  ASN  44          2HD2      ASN  44  -9.770  15.055  -7.228
  379   HD22  ASN  44          1HD2      ASN  44  -9.365  16.700  -6.772
  380    H    TYR  45           H        TYR  45  -7.040  11.048  -5.098
  381    HA   TYR  45           HA       TYR  45  -8.858   9.231  -3.704
  382    HB2  TYR  45           1HB      TYR  45  -8.045   8.936  -6.045
  383    HB3  TYR  45           2HB      TYR  45  -6.417   8.674  -5.417
  384    HD1  TYR  45           2HD      TYR  45  -9.930   7.381  -5.275
  385    HD2  TYR  45           1HD      TYR  45  -5.746   6.472  -4.761
  386    HE1  TYR  45           2HE      TYR  45 -10.492   4.977  -4.995
  387    HE2  TYR  45           1HE      TYR  45  -6.303   4.059  -4.495
  388    HH   TYR  45           HH       TYR  45  -9.688   2.862  -4.631
  389    H    ALA  46           H        ALA  46  -8.170   7.479  -2.362
  390    HA   ALA  46           HA       ALA  46  -5.512   7.680  -1.059
  391    HB1  ALA  46           1HB      ALA  46  -7.184   8.725   0.468
  392    HB2  ALA  46           2HB      ALA  46  -8.146   7.236   0.419
  393    HB3  ALA  46           3HB      ALA  46  -6.520   7.217   1.131
  394    H    GLY  47           H        GLY  47  -4.475   5.816  -1.368
  395    HA2  GLY  47           1HA      GLY  47  -5.848   3.362  -2.265
  396    HA3  GLY  47           2HA      GLY  47  -4.099   3.567  -2.024
  397    H    MET  48           H        MET  48  -6.172   1.549  -1.079
  398    HA   MET  48           HA       MET  48  -5.823   1.782   1.895
  399    HB2  MET  48           1HB      MET  48  -8.113   0.602   0.275
  400    HB3  MET  48           2HB      MET  48  -8.007   0.644   2.040
  401    HG2  MET  48           1HG      MET  48  -7.957   3.125   1.971
  402    HG3  MET  48           2HG      MET  48  -8.129   3.087   0.222
  403    HE1  MET  48           3HE      MET  48 -11.733   1.984  -0.432
  404    HE2  MET  48           1HE      MET  48 -10.226   2.658  -1.088
  405    HE3  MET  48           2HE      MET  48 -10.274   0.978  -0.509
  406    H    GLY  49           H        GLY  49  -5.255   0.052   3.080
  407    HA2  GLY  49           1HA      GLY  49  -5.099  -2.679   1.921
  408    HA3  GLY  49           2HA      GLY  49  -3.596  -1.923   2.449
  409    H    ASN  50           H        ASN  50  -4.451  -4.292   3.547
  410    HA   ASN  50           HA       ASN  50  -4.280  -3.572   6.334
  411    HB2  ASN  50           1HB      ASN  50  -6.230  -4.759   7.152
  412    HB3  ASN  50           2HB      ASN  50  -6.745  -3.504   6.040
  413   HD21  ASN  50          2HD2      ASN  50  -7.824  -4.125   4.086
  414   HD22  ASN  50          1HD2      ASN  50  -8.244  -5.798   3.765
  415    H    SER  51           H        SER  51  -3.828  -5.425   7.746
  416    HA   SER  51           HA       SER  51  -3.502  -8.102   6.838
  417    HB2  SER  51           1HB      SER  51  -1.562  -6.984   5.568
  418    HB3  SER  51           2HB      SER  51  -0.824  -6.712   7.150
  419    HG   SER  51           HG       SER  51  -0.220  -8.740   6.057
  420    H    THR  52           H        THR  52  -1.610  -9.120   8.494
  421    HA   THR  52           HA       THR  52  -2.553  -8.722  11.247
  422    HB   THR  52           HB       THR  52  -0.833 -10.435  11.767
  423    HG1  THR  52           1HG      THR  52   0.261 -11.351   9.962
  424   HG21  THR  52          3HG2      THR  52  -1.863 -12.300  10.590
  425   HG22  THR  52          1HG2      THR  52  -3.114 -11.134  11.049
  426   HG23  THR  52          2HG2      THR  52  -2.550 -11.214   9.364
  427    H    ASN  53           H        ASN  53  -0.341  -7.075   9.330
  428    HA   ASN  53           HA       ASN  53   1.055  -5.863  11.625
  429    HB2  ASN  53           1HB      ASN  53   3.251  -6.396  10.754
  430    HB3  ASN  53           2HB      ASN  53   2.359  -7.886  11.041
  431   HD21  ASN  53          2HD2      ASN  53   1.599  -9.135   9.147
  432   HD22  ASN  53          1HD2      ASN  53   2.325  -8.821   7.572
  433    H    LYS  54           H        LYS  54   2.126  -3.903  11.145
  434    HA   LYS  54           HA       LYS  54   0.688  -2.213   9.359
  435    HB2  LYS  54           1HB      LYS  54   3.314  -1.800  10.854
  436    HB3  LYS  54           2HB      LYS  54   2.410  -0.520  10.040
  437    HG2  LYS  54           1HG      LYS  54   0.444  -0.972  11.508
  438    HG3  LYS  54           2HG      LYS  54   1.383  -2.205  12.370
  439    HD2  LYS  54           1HD      LYS  54   3.067  -0.486  12.996
  440    HD3  LYS  54           2HD      LYS  54   2.102   0.755  12.167
  441    HE2  LYS  54           1HE      LYS  54   0.190   0.277  13.684
  442    HE3  LYS  54           2HE      LYS  54   1.139  -0.976  14.493
  443    HZ1  LYS  54           3HZ      LYS  54   1.209   1.113  15.721
  444    HZ2  LYS  54           1HZ      LYS  54   2.708   0.747  15.190
  445    HZ3  LYS  54           2HZ      LYS  54   1.836   1.912  14.442
  446    H    LYS  55           H        LYS  55   3.754  -3.911   8.837
  447    HA   LYS  55           HA       LYS  55   4.661  -2.333   6.608
  448    HB2  LYS  55           1HB      LYS  55   6.026  -3.780   8.097
  449    HB3  LYS  55           2HB      LYS  55   5.295  -5.217   7.383
  450    HG2  LYS  55           1HG      LYS  55   6.199  -4.590   5.157
  451    HG3  LYS  55           2HG      LYS  55   6.924  -3.133   5.869
  452    HD2  LYS  55           1HD      LYS  55   8.355  -4.541   7.324
  453    HD3  LYS  55           2HD      LYS  55   7.545  -5.997   6.730
  454    HE2  LYS  55           1HE      LYS  55   9.643  -5.818   5.571
  455    HE3  LYS  55           2HE      LYS  55   8.334  -5.506   4.425
  456    HZ1  LYS  55           3HZ      LYS  55  10.063  -3.882   4.120
  457    HZ2  LYS  55           1HZ      LYS  55   8.780  -3.109   4.737
  458    HZ3  LYS  55           2HZ      LYS  55  10.059  -3.458   5.703
  459    H    ASP  56           H        ASP  56   2.984  -5.503   6.693
  460    HA   ASP  56           HA       ASP  56   2.599  -5.664   3.833
  461    HB2  ASP  56           1HB      ASP  56   1.292  -6.989   6.225
  462    HB3  ASP  56           2HB      ASP  56   0.806  -7.351   4.579
  463    H    ALA  57           H        ALA  57   0.722  -4.167   6.445
  464    HA   ALA  57           HA       ALA  57  -1.630  -3.638   4.831
  465    HB1  ALA  57           1HB      ALA  57  -1.612  -3.670   7.320
  466    HB2  ALA  57           2HB      ALA  57  -0.620  -2.196   7.326
  467    HB3  ALA  57           3HB      ALA  57  -2.269  -2.156   6.669
  468    H    GLN  58           H        GLN  58   1.262  -1.635   5.604
  469    HA   GLN  58           HA       GLN  58   0.647   0.585   3.894
  470    HB2  GLN  58           1HB      GLN  58   3.259  -0.638   4.873
  471    HB3  GLN  58           2HB      GLN  58   3.215   0.752   3.794
  472    HG2  GLN  58           1HG      GLN  58   1.974   2.073   5.446
  473    HG3  GLN  58           2HG      GLN  58   1.911   0.695   6.543
  474   HE21  GLN  58          2HE2      GLN  58   3.478   0.876   8.170
  475   HE22  GLN  58          1HE2      GLN  58   5.054   1.615   7.926
  476    H    SER  59           H        SER  59   2.367  -2.507   3.164
  477    HA   SER  59           HA       SER  59   3.051  -1.772   0.486
  478    HB2  SER  59           1HB      SER  59   2.565  -4.533   1.668
  479    HB3  SER  59           2HB      SER  59   3.330  -4.201   0.107
  480    HG   SER  59           HG       SER  59   4.284  -3.472   2.703
  481    H    ASN  60           H        ASN  60   0.108  -3.339   1.771
  482    HA   ASN  60           HA       ASN  60  -1.149  -3.663  -0.829
  483    HB2  ASN  60           1HB      ASN  60  -2.142  -3.710   2.039
  484    HB3  ASN  60           2HB      ASN  60  -3.263  -3.790   0.680
  485   HD21  ASN  60          2HD2      ASN  60  -2.488  -5.877   2.814
  486   HD22  ASN  60          1HD2      ASN  60  -2.114  -7.267   1.824
  487    H    ALA  61           H        ALA  61  -1.281  -1.044   1.645
  488    HA   ALA  61           HA       ALA  61  -3.188   0.585   0.252
  489    HB1  ALA  61           1HB      ALA  61  -2.577   0.836   2.652
  490    HB2  ALA  61           2HB      ALA  61  -0.957   1.396   2.174
  491    HB3  ALA  61           3HB      ALA  61  -2.389   2.357   1.759
  492    H    ALA  62           H        ALA  62   0.393   0.592   0.160
  493    HA   ALA  62           HA       ALA  62   0.738   2.670  -1.752
  494    HB1  ALA  62           1HB      ALA  62   2.514   1.701  -0.305
  495    HB2  ALA  62           2HB      ALA  62   2.439   0.189  -1.225
  496    HB3  ALA  62           3HB      ALA  62   2.977   1.686  -2.023
  497    H    ARG  63           H        ARG  63   0.485  -0.911  -2.292
  498    HA   ARG  63           HA       ARG  63   0.626  -0.755  -5.093
  499    HB2  ARG  63           1HB      ARG  63   0.784  -2.866  -3.734
  500    HB3  ARG  63           2HB      ARG  63  -0.946  -2.774  -3.434
  501    HG2  ARG  63           1HG      ARG  63  -0.546  -4.354  -5.209
  502    HG3  ARG  63           2HG      ARG  63  -1.379  -2.963  -5.869
  503    HD2  ARG  63           1HD      ARG  63   1.214  -2.231  -6.401
  504    HD3  ARG  63           2HD      ARG  63   1.393  -3.982  -6.387
  505    HE   ARG  63           HE       ARG  63  -0.702  -2.572  -8.020
  506   HH11  ARG  63          1HH1      ARG  63   2.204  -4.623  -8.183
  507   HH12  ARG  63          2HH1      ARG  63   1.791  -5.165  -9.781
  508   HH21  ARG  63          1HH2      ARG  63  -1.055  -3.176 -10.035
  509   HH22  ARG  63          2HH2      ARG  63  -0.010  -4.312 -10.856
  510    H    ASP  64           H        ASP  64  -2.282  -0.409  -3.008
  511    HA   ASP  64           HA       ASP  64  -4.088  -0.233  -5.243
  512    HB2  ASP  64           1HB      ASP  64  -4.711  -0.948  -2.968
  513    HB3  ASP  64           2HB      ASP  64  -4.434   0.695  -2.384
  514    H    PHE  65           H        PHE  65  -2.237   2.301  -3.486
  515    HA   PHE  65           HA       PHE  65  -3.546   4.452  -4.969
  516    HB2  PHE  65           1HB      PHE  65  -2.455   4.790  -2.756
  517    HB3  PHE  65           2HB      PHE  65  -0.886   4.544  -3.513
  518    HD1  PHE  65           1HD      PHE  65  -3.810   6.801  -3.192
  519    HD2  PHE  65           2HD      PHE  65   0.006   6.241  -5.110
  520    HE1  PHE  65           1HE      PHE  65  -3.844   9.161  -3.953
  521    HE2  PHE  65           2HE      PHE  65  -0.023   8.612  -5.848
  522    HZ   PHE  65           HZ       PHE  65  -1.957  10.064  -5.296
  523    H    VAL  66           H        VAL  66  -0.500   2.585  -5.408
  524    HA   VAL  66           HA       VAL  66   0.289   3.995  -7.798
  525    HB   VAL  66           HB       VAL  66   0.929   1.156  -6.918
  526   HG11  VAL  66          1HG1      VAL  66   1.295   1.250  -9.316
  527   HG12  VAL  66          2HG1      VAL  66   2.066   2.848  -9.194
  528   HG13  VAL  66          3HG1      VAL  66   2.870   1.415  -8.528
  529   HG21  VAL  66          3HG2      VAL  66   3.043   2.103  -6.197
  530   HG22  VAL  66          1HG2      VAL  66   2.615   3.698  -6.865
  531   HG23  VAL  66          2HG2      VAL  66   1.747   3.056  -5.464
  532    H    ASN  67           H        ASN  67  -1.773   1.127  -7.295
  533    HA   ASN  67           HA       ASN  67  -2.497   0.683 -10.021
  534    HB2  ASN  67           1HB      ASN  67  -4.095   0.286  -7.469
  535    HB3  ASN  67           2HB      ASN  67  -4.703  -0.143  -9.060
  536   HD21  ASN  67          2HD2      ASN  67  -4.510  -2.074  -7.078
  537   HD22  ASN  67          1HD2      ASN  67  -3.293  -3.229  -7.578
  538    H    TYR  68           H        TYR  68  -4.100   2.944  -7.633
  539    HA   TYR  68           HA       TYR  68  -5.852   4.181  -9.471
  540    HB2  TYR  68           1HB      TYR  68  -6.197   4.738  -7.280
  541    HB3  TYR  68           2HB      TYR  68  -4.527   5.068  -6.935
  542    HD1  TYR  68           1HD      TYR  68  -7.527   6.434  -8.699
  543    HD2  TYR  68           2HD      TYR  68  -3.608   7.259  -7.094
  544    HE1  TYR  68           1HE      TYR  68  -7.915   8.867  -9.007
  545    HE2  TYR  68           2HE      TYR  68  -3.984   9.687  -7.416
  546    HH   TYR  68           HH       TYR  68  -7.076  10.987  -8.717
  547    H    LEU  69           H        LEU  69  -2.395   5.012  -8.949
  548    HA   LEU  69           HA       LEU  69  -2.344   7.097 -10.915
  549    HB2  LEU  69           1HB      LEU  69  -0.080   5.275 -10.048
  550    HB3  LEU  69           2HB      LEU  69   0.073   6.758 -10.976
  551    HG   LEU  69           HG       LEU  69  -1.024   6.671  -8.142
  552   HD11  LEU  69          1HD1      LEU  69   1.317   5.951  -8.215
  553   HD12  LEU  69          2HD1      LEU  69   1.739   7.363  -9.194
  554   HD13  LEU  69          3HD1      LEU  69   1.199   7.571  -7.515
  555   HD21  LEU  69          3HD2      LEU  69  -0.592   9.129  -8.219
  556   HD22  LEU  69          1HD2      LEU  69  -0.230   8.987  -9.952
  557   HD23  LEU  69          2HD2      LEU  69  -1.858   8.618  -9.337
  558    H    VAL  70           H        VAL  70  -2.385   3.631 -11.433
  559    HA   VAL  70           HA       VAL  70  -1.862   3.923 -14.321
  560    HB   VAL  70           HB       VAL  70  -2.997   1.502 -12.877
  561   HG11  VAL  70          1HG1      VAL  70  -3.451   1.438 -15.294
  562   HG12  VAL  70          2HG1      VAL  70  -1.739   1.778 -15.641
  563   HG13  VAL  70          3HG1      VAL  70  -2.225   0.253 -14.870
  564   HG21  VAL  70          3HG2      VAL  70  -0.752   0.528 -12.977
  565   HG22  VAL  70          1HG2      VAL  70  -0.100   2.021 -13.675
  566   HG23  VAL  70          2HG2      VAL  70  -0.724   2.004 -12.019
  567    H    ARG  71           H        ARG  71  -4.729   3.595 -12.185
  568    HA   ARG  71           HA       ARG  71  -6.719   3.475 -14.218
  569    HB2  ARG  71           1HB      ARG  71  -6.963   4.724 -11.455
  570    HB3  ARG  71           2HB      ARG  71  -8.298   4.282 -12.506
  571    HG2  ARG  71           1HG      ARG  71  -7.763   1.904 -12.322
  572    HG3  ARG  71           2HG      ARG  71  -6.305   2.265 -11.408
  573    HD2  ARG  71           1HD      ARG  71  -7.910   3.467  -9.727
  574    HD3  ARG  71           2HD      ARG  71  -9.181   2.540 -10.520
  575    HE   ARG  71           HE       ARG  71  -7.676   0.501  -9.981
  576   HH11  ARG  71          1HH1      ARG  71  -7.997   3.254  -7.754
  577   HH12  ARG  71          2HH1      ARG  71  -7.535   2.284  -6.385
  578   HH21  ARG  71          1HH2      ARG  71  -7.182  -0.664  -8.094
  579   HH22  ARG  71          2HH2      ARG  71  -7.058   0.180  -6.565
  580    H    ILE  72           H        ILE  72  -5.009   6.277 -12.869
  581    HA   ILE  72           HA       ILE  72  -6.430   8.096 -14.778
  582    HB   ILE  72           HB       ILE  72  -5.541   9.943 -13.570
  583   HG12  ILE  72          1HG1      ILE  72  -4.199   8.100 -11.573
  584   HG13  ILE  72          2HG1      ILE  72  -3.318   8.805 -12.922
  585   HG21  ILE  72          1HG2      ILE  72  -7.621   8.808 -12.783
  586   HG22  ILE  72          2HG2      ILE  72  -6.658   7.915 -11.586
  587   HG23  ILE  72          3HG2      ILE  72  -6.780   9.684 -11.499
  588   HD11  ILE  72          3HD1      ILE  72  -2.978  10.132 -10.928
  589   HD12  ILE  72          1HD1      ILE  72  -3.904  11.079 -12.110
  590   HD13  ILE  72          2HD1      ILE  72  -4.721  10.349 -10.709
  591    H    ASN  73           H        ASN  73  -3.906   6.134 -15.149
  592    HA   ASN  73           HA       ASN  73  -2.274   5.923 -16.624
  593    HB2  ASN  73           1HB      ASN  73  -4.207   6.700 -18.070
  594    HB3  ASN  73           2HB      ASN  73  -3.459   8.296 -18.099
  595   HD21  ASN  73          2HD2      ASN  73  -2.887   8.382 -20.297
  596   HD22  ASN  73          1HD2      ASN  73  -1.786   7.234 -21.038
  597    H    GLU  74           H        GLU  74  -1.723   7.762 -14.353
  598    HA   GLU  74           HA       GLU  74   0.482   9.481 -15.355
  599    HB2  GLU  74           1HB      GLU  74  -0.676   8.945 -12.596
  600    HB3  GLU  74           2HB      GLU  74   0.789   9.888 -12.848
  601    HG2  GLU  74           1HG      GLU  74  -1.934  10.572 -14.025
  602    HG3  GLU  74           2HG      GLU  74  -1.214  11.308 -12.595
  603    H    VAL  75           H        VAL  75   0.059   6.220 -14.336
  604    HA   VAL  75           HA       VAL  75   2.999   5.753 -14.561
  605    HB   VAL  75           HB       VAL  75   1.174   4.545 -12.418
  606   HG11  VAL  75          1HG1      VAL  75   2.808   2.839 -13.172
  607   HG12  VAL  75          2HG1      VAL  75   4.135   4.028 -12.988
  608   HG13  VAL  75          3HG1      VAL  75   3.245   3.437 -11.576
  609   HG21  VAL  75          3HG2      VAL  75   2.713   5.590 -10.806
  610   HG22  VAL  75          1HG2      VAL  75   3.690   6.220 -12.151
  611   HG23  VAL  75          2HG2      VAL  75   2.059   6.848 -11.861
  612    H    LYS  76           H        LYS  76   3.510   3.878 -15.702
  613    HA   LYS  76           HA       LYS  76   1.298   2.350 -16.975
  614    HB2  LYS  76           1HB      LYS  76   4.329   2.245 -17.296
  615    HB3  LYS  76           2HB      LYS  76   3.185   1.166 -18.088
  616    HG2  LYS  76           1HG      LYS  76   2.095   3.157 -19.178
  617    HG3  LYS  76           2HG      LYS  76   3.333   4.192 -18.454
  618    HD2  LYS  76           1HD      LYS  76   3.927   3.686 -20.770
  619    HD3  LYS  76           2HD      LYS  76   5.101   2.947 -19.668
  620    HE2  LYS  76           1HE      LYS  76   3.858   0.768 -19.874
  621    HE3  LYS  76           2HE      LYS  76   2.760   1.517 -21.034
  622    HZ1  LYS  76           3HZ      LYS  76   4.635   0.189 -21.939
  623    HZ2  LYS  76           1HZ      LYS  76   4.569   1.717 -22.567
  624    HZ3  LYS  76           2HZ      LYS  76   5.692   1.323 -21.434
  625    H    SER  77           H        SER  77   0.675   0.328 -16.324
  626    HA   SER  77           HA       SER  77   1.399  -0.803 -13.827
  627    HB2  SER  77           1HB      SER  77   0.284  -2.859 -14.743
  628    HB3  SER  77           2HB      SER  77  -0.674  -1.375 -14.811
  629    HG   SER  77           HG       SER  77  -0.745  -2.579 -16.804
  630    H    GLU  78           H        GLU  78   2.791  -1.399 -17.045
  631    HA   GLU  78           HA       GLU  78   4.347  -3.661 -16.557
  632    HB2  GLU  78           1HB      GLU  78   5.067  -1.250 -18.277
  633    HB3  GLU  78           2HB      GLU  78   5.821  -2.845 -18.368
  634    HG2  GLU  78           1HG      GLU  78   3.549  -3.816 -18.914
  635    HG3  GLU  78           2HG      GLU  78   2.932  -2.164 -19.040
  636    H    GLU  79           H        GLU  79   4.929  -0.444 -15.271
  637    HA   GLU  79           HA       GLU  79   7.733  -1.024 -14.523
  638    HB2  GLU  79           1HB      GLU  79   5.909   1.359 -14.006
  639    HB3  GLU  79           2HB      GLU  79   7.598   1.265 -13.556
  640    HG2  GLU  79           1HG      GLU  79   6.513   1.187 -16.407
  641    HG3  GLU  79           2HG      GLU  79   7.250   2.574 -15.618
  642    H    VAL  80           H        VAL  80   4.641  -1.559 -13.126
  643    HA   VAL  80           HA       VAL  80   5.349  -0.780 -10.406
  644    HB   VAL  80           HB       VAL  80   2.834  -2.190 -11.366
  645   HG11  VAL  80          1HG1      VAL  80   3.132  -2.420  -8.943
  646   HG12  VAL  80          2HG1      VAL  80   3.492  -0.700  -8.788
  647   HG13  VAL  80          3HG1      VAL  80   1.864  -1.233  -9.263
  648   HG21  VAL  80          3HG2      VAL  80   1.792   0.043 -11.322
  649   HG22  VAL  80          1HG2      VAL  80   3.363   0.783 -10.922
  650   HG23  VAL  80          2HG2      VAL  80   3.105   0.001 -12.491
  651    HA   PRO  81           HA       PRO  81   6.852  -4.935  -9.451
  652    HB2  PRO  81           1HB      PRO  81   7.577  -4.611  -6.845
  653    HB3  PRO  81           2HB      PRO  81   8.470  -3.846  -8.196
  654    HG2  PRO  81           1HG      PRO  81   6.317  -2.612  -6.453
  655    HG3  PRO  81           2HG      PRO  81   7.931  -1.941  -6.856
  656    HD2  PRO  81           1HD      PRO  81   5.686  -1.218  -8.223
  657    HD3  PRO  81           2HD      PRO  81   7.261  -1.396  -9.049
  658    H    ALA  82           H        ALA  82   6.322  -6.770  -8.125
  659    HA   ALA  82           HA       ALA  82   3.515  -7.059  -7.519
  660    HB1  ALA  82           1HB      ALA  82   4.888  -8.875  -8.467
  661    HB2  ALA  82           2HB      ALA  82   5.898  -8.895  -7.002
  662    HB3  ALA  82           3HB      ALA  82   4.187  -9.361  -6.913
  663    H    VAL  83           H        VAL  83   2.459  -7.024  -5.566
  664    HA   VAL  83           HA       VAL  83   3.498  -5.591  -3.448
  665    HB   VAL  83           HB       VAL  83   1.138  -5.915  -4.331
  666   HG11  VAL  83          1HG1      VAL  83   0.983  -8.390  -4.124
  667   HG12  VAL  83          2HG1      VAL  83   0.997  -8.214  -2.356
  668   HG13  VAL  83          3HG1      VAL  83  -0.333  -7.532  -3.304
  669   HG21  VAL  83          3HG2      VAL  83   0.116  -5.247  -2.290
  670   HG22  VAL  83          1HG2      VAL  83   1.470  -5.907  -1.332
  671   HG23  VAL  83          2HG2      VAL  83   1.735  -4.544  -2.446
  672    H    GLY  84           H        GLY  84   3.814  -9.014  -3.932
  673    HA2  GLY  84           1HA      GLY  84   5.075 -10.545  -2.747
  674    HA3  GLY  84           2HA      GLY  84   5.382  -9.309  -1.505
  675    H    ILE  85           H        ILE  85   2.065  -9.775  -2.054
  676    HA   ILE  85           HA       ILE  85   1.740 -11.504   0.370
  677    HB   ILE  85           HB       ILE  85   0.122  -9.036  -0.413
  678   HG12  ILE  85          1HG1      ILE  85   2.058  -9.341   1.924
  679   HG13  ILE  85          2HG1      ILE  85   2.474  -8.524   0.430
  680   HG21  ILE  85          1HG2      ILE  85  -1.241 -10.710   0.783
  681   HG22  ILE  85          2HG2      ILE  85  -0.023 -10.799   2.076
  682   HG23  ILE  85          3HG2      ILE  85  -0.961  -9.318   1.805
  683   HD11  ILE  85          3HD1      ILE  85   1.903  -6.860   2.017
  684   HD12  ILE  85          1HD1      ILE  85   0.667  -6.884   0.753
  685   HD13  ILE  85          2HD1      ILE  85   0.329  -7.599   2.347
  686    H    VAL  86           H        VAL  86   0.112 -13.054   0.256
  687    HA   VAL  86           HA       VAL  86  -1.699 -13.126  -2.080
  688    HB   VAL  86           HB       VAL  86  -1.351 -15.601  -2.184
  689   HG11  VAL  86          1HG1      VAL  86  -0.424 -14.062  -3.883
  690   HG12  VAL  86          2HG1      VAL  86   1.088 -13.952  -2.951
  691   HG13  VAL  86          3HG1      VAL  86   0.586 -15.499  -3.659
  692   HG21  VAL  86          3HG2      VAL  86   0.742 -16.608  -1.431
  693   HG22  VAL  86          1HG2      VAL  86   1.227 -15.096  -0.645
  694   HG23  VAL  86          2HG2      VAL  86  -0.180 -16.008  -0.049
  695    HA   PRO  87           HA       PRO  87  -4.598 -14.011   1.117
  696    HB2  PRO  87           1HB      PRO  87  -6.751 -14.976  -0.260
  697    HB3  PRO  87           2HB      PRO  87  -6.175 -13.290  -0.430
  698    HG2  PRO  87           1HG      PRO  87  -5.538 -15.664  -2.217
  699    HG3  PRO  87           2HG      PRO  87  -6.117 -14.038  -2.707
  700    HD2  PRO  87           1HD      PRO  87  -3.472 -14.699  -2.745
  701    HD3  PRO  87           2HD      PRO  87  -4.016 -13.058  -2.284
  702    HA   PRO  88           HA       PRO  88  -4.354 -18.371   2.202
  703    HB2  PRO  88           1HB      PRO  88  -6.397 -18.658   3.996
  704    HB3  PRO  88           2HB      PRO  88  -4.932 -17.690   4.350
  705    HG2  PRO  88           1HG      PRO  88  -7.621 -16.700   3.341
  706    HG3  PRO  88           2HG      PRO  88  -6.660 -16.073   4.719
  707    HD2  PRO  88           1HD      PRO  88  -6.559 -14.934   2.243
  708    HD3  PRO  88           2HD      PRO  88  -5.106 -15.033   3.282
  709    HA   PRO  89           HA       PRO  89  -7.216 -20.509  -0.464
  710    HB2  PRO  89           1HB      PRO  89  -7.286 -23.051   0.548
  711    HB3  PRO  89           2HB      PRO  89  -5.840 -22.356  -0.247
  712    HG2  PRO  89           1HG      PRO  89  -6.436 -22.506   2.728
  713    HG3  PRO  89           2HG      PRO  89  -4.932 -22.986   1.876
  714    HD2  PRO  89           1HD      PRO  89  -5.181 -20.560   3.076
  715    HD3  PRO  89           2HD      PRO  89  -4.301 -20.734   1.528
  716    H    SER  90           H        SER  90  -9.392 -21.029  -0.674
  717    HA   SER  90           HA       SER  90 -11.145 -20.060   1.372
  718    HB2  SER  90           1HB      SER  90 -11.837 -21.520  -1.201
  719    HB3  SER  90           2HB      SER  90 -12.905 -20.474  -0.252
  720    HG   SER  90           HG       SER  90 -11.988 -19.369  -2.059
  721    H    GLY  91           H        GLY  91  -9.833 -23.141   1.185
  722    HA2  GLY  91           1HA      GLY  91 -12.194 -24.681   2.051
  723    HA3  GLY  91           2HA      GLY  91 -10.545 -25.292   1.823
  724    HA   PRO  92           HA       PRO  92 -11.632 -24.940   6.425
  725    HB2  PRO  92           1HB      PRO  92 -10.821 -27.840   6.216
  726    HB3  PRO  92           2HB      PRO  92 -12.073 -27.090   7.255
  727    HG2  PRO  92           1HG      PRO  92 -12.791 -28.430   5.015
  728    HG3  PRO  92           2HG      PRO  92 -13.573 -26.861   5.404
  729    HD2  PRO  92           1HD      PRO  92 -11.286 -27.392   3.482
  730    HD3  PRO  92           2HD      PRO  92 -12.767 -26.417   3.237
  731    H    SER  93           H        SER  93 -10.096 -24.777   8.079
  732    HA   SER  93           HA       SER  93  -7.260 -25.533   7.543
  733    HB2  SER  93           1HB      SER  93  -7.944 -23.169   6.719
  734    HB3  SER  93           2HB      SER  93  -7.991 -22.737   8.434
  735    HG   SER  93           HG       SER  93  -5.932 -22.320   7.464
  736    H    SER  94           H        SER  94  -9.561 -26.234   9.537
  737    HA   SER  94           HA       SER  94  -8.574 -25.329  12.129
  738    HB2  SER  94           1HB      SER  94 -10.714 -27.382  11.480
  739    HB3  SER  94           2HB      SER  94 -10.471 -26.540  13.019
  740    HG   SER  94           HG       SER  94 -12.143 -25.568  11.768
  741    H    GLY  95           H        GLY  95  -7.492 -27.830  10.168
  742    HA2  GLY  95           1HA      GLY  95  -5.714 -28.998  12.040
  743    HA3  GLY  95           2HA      GLY  95  -7.134 -30.042  11.951
  Start of MODEL    2
    1    H1   GLY  -3           1H       GLY  -3  16.185  -6.041  14.917
    2    H2   GLY  -3           2H       GLY  -3  14.941  -6.330  13.891
    3    H3   GLY  -3           3H       GLY  -3  16.420  -6.969  13.587
    4    HA2  GLY  -3           1HA      GLY  -3  17.367  -4.784  13.247
    5    HA3  GLY  -3           2HA      GLY  -3  16.036  -5.111  12.121
    6    H    SER  -2           H        SER  -2  17.138  -2.535  13.262
    7    HA   SER  -2           HA       SER  -2  15.125  -1.510  15.092
    8    HB2  SER  -2           1HB      SER  -2  17.317  -0.037  13.597
    9    HB3  SER  -2           2HB      SER  -2  16.440   0.524  15.030
   10    HG   SER  -2           HG       SER  -2  18.497  -0.374  15.570
   11    H    SER  -1           H        SER  -1  14.946  -1.853  11.738
   12    HA   SER  -1           HA       SER  -1  12.619  -0.150  11.470
   13    HB2  SER  -1           1HB      SER  -1  14.561   1.482  11.258
   14    HB3  SER  -1           2HB      SER  -1  15.041   0.604   9.798
   15    HG   SER  -1           HG       SER  -1  13.674   2.450   9.383
   16    H    GLY   0           H        GLY   0  11.899  -0.183   9.063
   17    HA2  GLY   0           1HA      GLY   0  12.742  -2.466   7.441
   18    HA3  GLY   0           2HA      GLY   0  11.194  -2.713   8.228
   19    H    SER   1           H        SER   1  11.167  -2.832   5.603
   20    HA   SER   1           HA       SER   1   9.438  -0.687   4.697
   21    HB2  SER   1           1HB      SER   1  11.794   0.262   4.408
   22    HB3  SER   1           2HB      SER   1  12.058  -1.001   3.199
   23    HG   SER   1           HG       SER   1  11.336   0.947   2.242
   24    H    SER   2           H        SER   2   9.571  -1.166   1.951
   25    HA   SER   2           HA       SER   2   9.307  -4.004   1.321
   26    HB2  SER   2           1HB      SER   2   7.261  -3.684   2.647
   27    HB3  SER   2           2HB      SER   2   6.818  -2.290   1.652
   28    HG   SER   2           HG       SER   2   5.733  -4.144   1.013
   29    H    GLY   3           H        GLY   3   8.839  -4.338  -0.949
   30    HA2  GLY   3           1HA      GLY   3  10.219  -2.428  -2.556
   31    HA3  GLY   3           2HA      GLY   3   9.388  -3.883  -3.146
   32    H    ILE   4           H        ILE   4   6.722  -3.126  -2.335
   33    HA   ILE   4           HA       ILE   4   6.086  -1.228  -4.485
   34    HB   ILE   4           HB       ILE   4   4.722  -3.239  -4.100
   35   HG12  ILE   4          1HG1      ILE   4   2.500  -2.250  -4.258
   36   HG13  ILE   4          2HG1      ILE   4   3.094  -0.689  -3.697
   37   HG21  ILE   4          1HG2      ILE   4   4.796  -3.310  -1.606
   38   HG22  ILE   4          2HG2      ILE   4   3.734  -1.884  -1.552
   39   HG23  ILE   4          3HG2      ILE   4   3.151  -3.407  -2.241
   40   HD11  ILE   4          3HD1      ILE   4   2.758  -0.811  -6.160
   41   HD12  ILE   4          1HD1      ILE   4   4.440  -0.456  -5.755
   42   HD13  ILE   4          2HD1      ILE   4   3.972  -2.101  -6.256
   43    H    LYS   5           H        LYS   5   6.231  -1.083  -0.981
   44    HA   LYS   5           HA       LYS   5   5.057   1.542  -0.680
   45    HB2  LYS   5           1HB      LYS   5   5.407  -0.354   1.005
   46    HB3  LYS   5           2HB      LYS   5   7.083   0.132   1.124
   47    HG2  LYS   5           1HG      LYS   5   4.660   1.891   1.740
   48    HG3  LYS   5           2HG      LYS   5   5.527   0.946   2.933
   49    HD2  LYS   5           1HD      LYS   5   6.677   3.309   1.390
   50    HD3  LYS   5           2HD      LYS   5   6.162   3.280   3.073
   51    HE2  LYS   5           1HE      LYS   5   7.867   1.506   3.559
   52    HE3  LYS   5           2HE      LYS   5   8.445   1.620   1.895
   53    HZ1  LYS   5           3HZ      LYS   5   9.788   2.951   3.380
   54    HZ2  LYS   5           1HZ      LYS   5   9.025   3.949   2.332
   55    HZ3  LYS   5           2HZ      LYS   5   8.501   3.825   3.881
   56    H    ASN   6           H        ASN   6   8.426   0.374  -1.027
   57    HA   ASN   6           HA       ASN   6   9.658   2.955  -1.191
   58    HB2  ASN   6           1HB      ASN   6  10.836   0.818  -0.679
   59    HB3  ASN   6           2HB      ASN   6  10.543   0.280  -2.335
   60   HD21  ASN   6          2HD2      ASN   6  12.388   0.496  -3.578
   61   HD22  ASN   6          1HD2      ASN   6  13.529   1.819  -3.427
   62    H    PHE   7           H        PHE   7   8.056   0.924  -3.680
   63    HA   PHE   7           HA       PHE   7   9.013   2.435  -5.938
   64    HB2  PHE   7           1HB      PHE   7   8.149   0.186  -6.186
   65    HB3  PHE   7           2HB      PHE   7   6.568   0.675  -5.591
   66    HD1  PHE   7           2HD      PHE   7   8.924   0.876  -8.443
   67    HD2  PHE   7           1HD      PHE   7   4.989   1.877  -7.005
   68    HE1  PHE   7           2HE      PHE   7   8.210   1.413 -10.763
   69    HE2  PHE   7           1HE      PHE   7   4.286   2.436  -9.321
   70    HZ   PHE   7           HZ       PHE   7   5.891   2.192 -11.204
   71    H    LEU   8           H        LEU   8   5.977   2.716  -3.978
   72    HA   LEU   8           HA       LEU   8   5.018   5.029  -5.373
   73    HB2  LEU   8           1HB      LEU   8   3.635   3.643  -3.847
   74    HB3  LEU   8           2HB      LEU   8   4.612   4.180  -2.472
   75    HG   LEU   8           HG       LEU   8   3.834   6.470  -2.711
   76   HD11  LEU   8          1HD1      LEU   8   3.566   6.692  -5.150
   77   HD12  LEU   8          2HD1      LEU   8   2.230   5.519  -5.128
   78   HD13  LEU   8          3HD1      LEU   8   2.065   7.104  -4.332
   79   HD21  LEU   8          3HD2      LEU   8   1.463   6.146  -2.159
   80   HD22  LEU   8          1HD2      LEU   8   1.500   4.521  -2.877
   81   HD23  LEU   8          2HD2      LEU   8   2.449   4.875  -1.416
   82    H    TYR   9           H        TYR   9   7.132   4.745  -2.477
   83    HA   TYR   9           HA       TYR   9   7.441   7.514  -2.031
   84    HB2  TYR   9           1HB      TYR   9   8.058   5.625  -0.501
   85    HB3  TYR   9           2HB      TYR   9   9.472   5.315  -1.498
   86    HD1  TYR   9           1HD      TYR   9  11.392   6.880  -1.493
   87    HD2  TYR   9           2HD      TYR   9   7.909   7.583   0.951
   88    HE1  TYR   9           1HE      TYR   9  12.648   8.593  -0.196
   89    HE2  TYR   9           2HE      TYR   9   9.160   9.291   2.254
   90    HH   TYR   9           HH       TYR   9  11.159  10.403   2.526
   91    H    ALA  10           H        ALA  10   9.416   5.368  -4.117
   92    HA   ALA  10           HA       ALA  10  11.243   7.404  -5.018
   93    HB1  ALA  10           1HB      ALA  10  11.719   4.976  -5.086
   94    HB2  ALA  10           2HB      ALA  10  10.413   4.745  -6.273
   95    HB3  ALA  10           3HB      ALA  10  11.849   5.699  -6.702
   96    H    TRP  11           H        TRP  11   8.139   6.198  -6.370
   97    HA   TRP  11           HA       TRP  11   8.153   7.763  -8.756
   98    HB2  TRP  11           1HB      TRP  11   6.648   5.862  -8.336
   99    HB3  TRP  11           2HB      TRP  11   5.843   6.745  -7.056
  100    HD1  TRP  11           HD       TRP  11   5.968   6.440 -10.825
  101    HE1  TRP  11           1HE      TRP  11   4.138   7.866 -11.891
  102    HE3  TRP  11           3HE      TRP  11   4.287   8.874  -6.641
  103    HZ2  TRP  11           2HZ      TRP  11   2.387  10.038 -11.082
  104    HZ3  TRP  11           3HZ      TRP  11   2.483  10.556  -6.809
  105    HH2  TRP  11           HH       TRP  11   1.528  11.153  -9.024
  106    H    CYS  12           H        CYS  12   6.867   8.463  -5.508
  107    HA   CYS  12           HA       CYS  12   6.023  11.173  -6.029
  108    HB2  CYS  12           1HB      CYS  12   7.035   9.805  -3.504
  109    HB3  CYS  12           2HB      CYS  12   6.300  11.413  -3.540
  110    HG   CYS  12           HG       CYS  12   4.986   8.497  -4.349
  111    H    GLY  13           H        GLY  13   9.176   9.886  -4.867
  112    HA2  GLY  13           1HA      GLY  13  10.348  12.418  -4.353
  113    HA3  GLY  13           2HA      GLY  13  11.216  10.874  -4.534
  114    H    LYS  14           H        LYS  14  10.241  10.552  -7.370
  115    HA   LYS  14           HA       LYS  14  12.294  12.222  -8.658
  116    HB2  LYS  14           1HB      LYS  14  12.047  10.854 -10.518
  117    HB3  LYS  14           2HB      LYS  14  11.883   9.792  -9.109
  118    HG2  LYS  14           1HG      LYS  14   9.425   9.802  -9.410
  119    HG3  LYS  14           2HG      LYS  14   9.604  10.831 -10.847
  120    HD2  LYS  14           1HD      LYS  14  11.019   9.044 -11.890
  121    HD3  LYS  14           2HD      LYS  14  10.712   8.013 -10.475
  122    HE2  LYS  14           1HE      LYS  14   8.261   8.128 -10.941
  123    HE3  LYS  14           2HE      LYS  14   8.578   9.165 -12.337
  124    HZ1  LYS  14           3HZ      LYS  14   8.309   6.855 -13.013
  125    HZ2  LYS  14           1HZ      LYS  14   9.835   7.336 -13.335
  126    HZ3  LYS  14           2HZ      LYS  14   9.539   6.368 -12.050
  127    H    ARG  15           H        ARG  15   8.984  12.423  -8.090
  128    HA   ARG  15           HA       ARG  15   8.505  14.685  -9.965
  129    HB2  ARG  15           1HB      ARG  15   6.621  13.090  -8.180
  130    HB3  ARG  15           2HB      ARG  15   6.147  14.414  -9.256
  131    HG2  ARG  15           1HG      ARG  15   7.057  13.067 -11.194
  132    HG3  ARG  15           2HG      ARG  15   7.286  11.711 -10.104
  133    HD2  ARG  15           1HD      ARG  15   4.925  11.579  -9.635
  134    HD3  ARG  15           2HD      ARG  15   4.625  13.139 -10.415
  135    HE   ARG  15           HE       ARG  15   5.683  10.848 -12.008
  136   HH11  ARG  15          1HH1      ARG  15   3.008  13.172 -11.524
  137   HH12  ARG  15          2HH1      ARG  15   2.210  12.579 -12.980
  138   HH21  ARG  15          1HH2      ARG  15   4.468  10.249 -13.881
  139   HH22  ARG  15          2HH2      ARG  15   2.957  11.101 -14.172
  140    H    LYS  16           H        LYS  16   9.968  14.480  -7.089
  141    HA   LYS  16           HA       LYS  16  10.442  15.855  -5.376
  142    HB2  LYS  16           1HB      LYS  16   9.038  18.033  -6.978
  143    HB3  LYS  16           2HB      LYS  16  10.139  18.264  -5.621
  144    HG2  LYS  16           1HG      LYS  16  11.968  17.164  -6.899
  145    HG3  LYS  16           2HG      LYS  16  10.881  17.004  -8.293
  146    HD2  LYS  16           1HD      LYS  16  10.624  19.476  -8.386
  147    HD3  LYS  16           2HD      LYS  16  11.658  19.633  -6.963
  148    HE2  LYS  16           1HE      LYS  16  13.017  20.130  -8.858
  149    HE3  LYS  16           2HE      LYS  16  13.542  18.570  -8.222
  150    HZ1  LYS  16           3HZ      LYS  16  13.344  18.557 -10.645
  151    HZ2  LYS  16           1HZ      LYS  16  12.278  17.498 -10.011
  152    HZ3  LYS  16           2HZ      LYS  16  11.762  18.947 -10.574
  153    H    MET  17           H        MET  17   8.044  14.283  -5.206
  154    HA   MET  17           HA       MET  17   6.439  15.759  -3.145
  155    HB2  MET  17           1HB      MET  17   5.665  13.404  -4.924
  156    HB3  MET  17           2HB      MET  17   4.633  14.142  -3.699
  157    HG2  MET  17           1HG      MET  17   4.832  16.323  -4.942
  158    HG3  MET  17           2HG      MET  17   5.644  15.450  -6.243
  159    HE1  MET  17           3HE      MET  17   2.809  13.017  -7.508
  160    HE2  MET  17           1HE      MET  17   4.509  13.484  -7.637
  161    HE3  MET  17           2HE      MET  17   3.927  12.620  -6.195
  162    H    THR  18           H        THR  18   5.439  14.192  -1.566
  163    HA   THR  18           HA       THR  18   7.069  11.803  -0.868
  164    HB   THR  18           HB       THR  18   6.344  13.968   1.151
  165    HG1  THR  18           1HG      THR  18   8.088  14.636  -0.061
  166   HG21  THR  18          3HG2      THR  18   7.794  12.647   2.674
  167   HG22  THR  18          1HG2      THR  18   6.376  11.720   2.173
  168   HG23  THR  18          2HG2      THR  18   7.961  11.391   1.429
  169    HA   PRO  19           HA       PRO  19   2.740  10.562  -0.275
  170    HB2  PRO  19           1HB      PRO  19   3.045   7.937   0.354
  171    HB3  PRO  19           2HB      PRO  19   3.363   8.561  -1.294
  172    HG2  PRO  19           1HG      PRO  19   5.369   8.000   0.909
  173    HG3  PRO  19           2HG      PRO  19   5.454   7.525  -0.814
  174    HD2  PRO  19           1HD      PRO  19   6.703   9.756   0.232
  175    HD3  PRO  19           2HD      PRO  19   6.117   9.681  -1.449
  176    H    ALA  20           H        ALA  20   1.354  10.431   1.452
  177    HA   ALA  20           HA       ALA  20   2.540  10.455   4.208
  178    HB1  ALA  20           1HB      ALA  20   1.723  12.654   3.475
  179    HB2  ALA  20           2HB      ALA  20   0.135  11.951   3.086
  180    HB3  ALA  20           3HB      ALA  20   0.702  11.991   4.769
  181    H    TYR  21           H        TYR  21   2.051   8.743   5.346
  182    HA   TYR  21           HA       TYR  21  -0.279   7.039   4.664
  183    HB2  TYR  21           1HB      TYR  21   2.202   6.500   6.336
  184    HB3  TYR  21           2HB      TYR  21   0.912   5.347   6.058
  185    HD1  TYR  21           2HD      TYR  21   3.727   7.164   4.451
  186    HD2  TYR  21           1HD      TYR  21   0.723   4.104   3.998
  187    HE1  TYR  21           2HE      TYR  21   4.860   6.355   2.393
  188    HE2  TYR  21           1HE      TYR  21   1.857   3.286   1.943
  189    HH   TYR  21           HH       TYR  21   3.576   3.646   0.438
  190    H    GLU  22           H        GLU  22  -1.604   6.119   6.296
  191    HA   GLU  22           HA       GLU  22  -1.425   7.076   9.083
  192    HB2  GLU  22           1HB      GLU  22  -2.887   8.705   7.907
  193    HB3  GLU  22           2HB      GLU  22  -3.956   7.387   7.410
  194    HG2  GLU  22           1HG      GLU  22  -4.582   6.942   9.712
  195    HG3  GLU  22           2HG      GLU  22  -3.303   8.001  10.322
  196    H    ILE  23           H        ILE  23  -2.365   5.589  10.569
  197    HA   ILE  23           HA       ILE  23  -3.110   2.911   9.473
  198    HB   ILE  23           HB       ILE  23  -0.865   3.563  11.422
  199   HG12  ILE  23          1HG1      ILE  23  -0.858   2.227   8.678
  200   HG13  ILE  23          2HG1      ILE  23  -0.268   3.849   9.044
  201   HG21  ILE  23          1HG2      ILE  23  -2.027   1.542  12.239
  202   HG22  ILE  23          2HG2      ILE  23  -1.892   0.799  10.625
  203   HG23  ILE  23          3HG2      ILE  23  -0.455   1.137  11.613
  204   HD11  ILE  23          3HD1      ILE  23   1.648   2.520   8.857
  205   HD12  ILE  23          1HD1      ILE  23   1.442   2.790  10.595
  206   HD13  ILE  23          2HD1      ILE  23   0.984   1.227   9.863
  207    H    ARG  24           H        ARG  24  -4.329   1.610  10.761
  208    HA   ARG  24           HA       ARG  24  -5.260   2.531  13.440
  209    HB2  ARG  24           1HB      ARG  24  -6.919   3.237  11.685
  210    HB3  ARG  24           2HB      ARG  24  -7.047   1.549  11.180
  211    HG2  ARG  24           1HG      ARG  24  -7.923   0.931  13.411
  212    HG3  ARG  24           2HG      ARG  24  -7.790   2.622  13.935
  213    HD2  ARG  24           1HD      ARG  24  -9.424   3.287  12.217
  214    HD3  ARG  24           2HD      ARG  24  -9.483   1.619  11.605
  215    HE   ARG  24           HE       ARG  24 -10.086   1.592  14.384
  216   HH11  ARG  24          1HH1      ARG  24 -11.621   2.624  11.367
  217   HH12  ARG  24          2HH1      ARG  24 -13.225   2.396  11.998
  218   HH21  ARG  24          1HH2      ARG  24 -12.179   1.328  15.139
  219   HH22  ARG  24          2HH2      ARG  24 -13.533   1.673  14.106
  220    H    ALA  25           H        ALA  25  -5.573   0.832  14.862
  221    HA   ALA  25           HA       ALA  25  -4.907  -1.928  13.943
  222    HB1  ALA  25           1HB      ALA  25  -3.632  -1.027  15.863
  223    HB2  ALA  25           2HB      ALA  25  -5.149  -0.834  16.772
  224    HB3  ALA  25           3HB      ALA  25  -4.595  -2.455  16.290
  225    H    VAL  26           H        VAL  26  -6.311  -3.607  14.121
  226    HA   VAL  26           HA       VAL  26  -9.062  -3.260  15.183
  227    HB   VAL  26           HB       VAL  26 -10.071  -4.106  13.090
  228   HG11  VAL  26          1HG1      VAL  26 -10.066  -1.673  13.601
  229   HG12  VAL  26          2HG1      VAL  26  -8.612  -1.488  12.586
  230   HG13  VAL  26          3HG1      VAL  26 -10.138  -2.038  11.871
  231   HG21  VAL  26          3HG2      VAL  26  -8.873  -3.999  10.947
  232   HG22  VAL  26          1HG2      VAL  26  -7.363  -3.583  11.782
  233   HG23  VAL  26          2HG2      VAL  26  -8.121  -5.171  12.028
  234    H    GLY  27           H        GLY  27 -10.284  -5.299  15.218
  235    HA2  GLY  27           1HA      GLY  27 -10.543  -7.613  15.344
  236    HA3  GLY  27           2HA      GLY  27  -8.902  -7.825  14.715
  237    H    ASN  28           H        ASN  28  -8.751  -9.556  16.191
  238    HA   ASN  28           HA       ASN  28  -9.125  -9.465  18.979
  239    HB2  ASN  28           1HB      ASN  28  -9.047 -11.509  17.629
  240    HB3  ASN  28           2HB      ASN  28  -7.348 -11.229  17.242
  241   HD21  ASN  28          2HD2      ASN  28  -9.597 -12.347  19.739
  242   HD22  ASN  28          1HD2      ASN  28  -8.346 -12.917  20.829
  243    H    LYS  29           H        LYS  29  -7.844  -9.022  20.749
  244    HA   LYS  29           HA       LYS  29  -5.777  -7.107  20.483
  245    HB2  LYS  29           1HB      LYS  29  -7.334  -7.348  22.399
  246    HB3  LYS  29           2HB      LYS  29  -6.564  -8.869  22.844
  247    HG2  LYS  29           1HG      LYS  29  -5.802  -7.133  24.305
  248    HG3  LYS  29           2HG      LYS  29  -4.440  -7.659  23.324
  249    HD2  LYS  29           1HD      LYS  29  -4.684  -5.665  21.873
  250    HD3  LYS  29           2HD      LYS  29  -6.127  -5.166  22.786
  251    HE2  LYS  29           1HE      LYS  29  -4.741  -4.994  24.849
  252    HE3  LYS  29           2HE      LYS  29  -3.312  -5.489  23.931
  253    HZ1  LYS  29           3HZ      LYS  29  -3.429  -3.081  24.148
  254    HZ2  LYS  29           1HZ      LYS  29  -3.578  -3.485  22.571
  255    HZ3  LYS  29           2HZ      LYS  29  -4.894  -3.027  23.428
  256    H    ASN  30           H        ASN  30  -5.480 -10.605  21.147
  257    HA   ASN  30           HA       ASN  30  -2.589 -10.500  21.501
  258    HB2  ASN  30           1HB      ASN  30  -4.051 -12.108  22.685
  259    HB3  ASN  30           2HB      ASN  30  -4.486 -12.854  21.148
  260   HD21  ASN  30          2HD2      ASN  30  -3.407 -14.798  20.911
  261   HD22  ASN  30          1HD2      ASN  30  -1.743 -15.066  21.400
  262    H    ARG  31           H        ARG  31  -4.755 -11.331  18.818
  263    HA   ARG  31           HA       ARG  31  -2.422 -11.461  16.951
  264    HB2  ARG  31           1HB      ARG  31  -3.541 -13.629  17.171
  265    HB3  ARG  31           2HB      ARG  31  -5.091 -12.894  16.799
  266    HG2  ARG  31           1HG      ARG  31  -4.380 -14.067  14.888
  267    HG3  ARG  31           2HG      ARG  31  -4.278 -12.380  14.485
  268    HD2  ARG  31           1HD      ARG  31  -1.970 -14.246  15.186
  269    HD3  ARG  31           2HD      ARG  31  -2.413 -13.725  13.569
  270    HE   ARG  31           HE       ARG  31  -0.630 -12.422  15.293
  271   HH11  ARG  31          1HH1      ARG  31  -3.297 -11.378  13.192
  272   HH12  ARG  31          2HH1      ARG  31  -2.637  -9.753  13.121
  273   HH21  ARG  31          1HH2      ARG  31   0.222 -10.379  14.865
  274   HH22  ARG  31          2HH2      ARG  31  -0.654  -9.291  13.816
  275    H    GLN  32           H        GLN  32  -2.530  -9.150  17.019
  276    HA   GLN  32           HA       GLN  32  -4.924  -7.726  16.284
  277    HB2  GLN  32           1HB      GLN  32  -2.962  -7.052  17.867
  278    HB3  GLN  32           2HB      GLN  32  -2.094  -6.625  16.393
  279    HG2  GLN  32           1HG      GLN  32  -3.040  -4.614  17.142
  280    HG3  GLN  32           2HG      GLN  32  -4.118  -5.104  15.841
  281   HE21  GLN  32          2HE2      GLN  32  -6.372  -5.496  16.411
  282   HE22  GLN  32          1HE2      GLN  32  -6.928  -5.384  18.066
  283    H    LYS  33           H        LYS  33  -5.534  -6.801  14.390
  284    HA   LYS  33           HA       LYS  33  -3.740  -7.061  12.003
  285    HB2  LYS  33           1HB      LYS  33  -6.770  -7.057  12.268
  286    HB3  LYS  33           2HB      LYS  33  -5.951  -6.603  10.774
  287    HG2  LYS  33           1HG      LYS  33  -4.727  -8.859  10.888
  288    HG3  LYS  33           2HG      LYS  33  -5.823  -9.285  12.205
  289    HD2  LYS  33           1HD      LYS  33  -6.693 -10.204  10.148
  290    HD3  LYS  33           2HD      LYS  33  -7.764  -8.885  10.648
  291    HE2  LYS  33           1HE      LYS  33  -6.608  -7.357   9.036
  292    HE3  LYS  33           2HE      LYS  33  -5.528  -8.670   8.564
  293    HZ1  LYS  33           3HZ      LYS  33  -7.396  -8.342   7.031
  294    HZ2  LYS  33           1HZ      LYS  33  -7.437  -9.853   7.675
  295    HZ3  LYS  33           2HZ      LYS  33  -8.475  -8.702   8.204
  296    H    PHE  34           H        PHE  34  -3.751  -5.324  10.528
  297    HA   PHE  34           HA       PHE  34  -4.281  -2.645  11.730
  298    HB2  PHE  34           1HB      PHE  34  -1.725  -3.572  10.370
  299    HB3  PHE  34           2HB      PHE  34  -2.077  -1.922  10.869
  300    HD1  PHE  34           1HD      PHE  34  -2.147  -1.294  13.269
  301    HD2  PHE  34           2HD      PHE  34  -1.218  -5.318  12.041
  302    HE1  PHE  34           1HE      PHE  34  -1.316  -1.807  15.556
  303    HE2  PHE  34           2HE      PHE  34  -0.383  -5.827  14.317
  304    HZ   PHE  34           HZ       PHE  34  -0.428  -4.069  16.081
  305    H    MET  35           H        MET  35  -5.155  -1.240  10.429
  306    HA   MET  35           HA       MET  35  -5.427  -1.762   7.496
  307    HB2  MET  35           1HB      MET  35  -7.050   0.177   9.190
  308    HB3  MET  35           2HB      MET  35  -7.321  -0.294   7.511
  309    HG2  MET  35           1HG      MET  35  -7.686  -2.689   8.401
  310    HG3  MET  35           2HG      MET  35  -7.663  -1.970  10.011
  311    HE1  MET  35           3HE      MET  35 -10.955  -1.472   6.820
  312    HE2  MET  35           1HE      MET  35  -9.309  -0.882   6.526
  313    HE3  MET  35           2HE      MET  35  -9.602  -2.620   6.764
  314    H    CYS  36           H        CYS  36  -4.964  -0.003   6.092
  315    HA   CYS  36           HA       CYS  36  -3.598   2.352   7.231
  316    HB2  CYS  36           1HB      CYS  36  -1.882   0.571   6.964
  317    HB3  CYS  36           2HB      CYS  36  -2.298   0.451   5.241
  318    HG   CYS  36           HG       CYS  36  -1.443   3.261   6.806
  319    H    GLU  37           H        GLU  37  -3.476   4.094   5.945
  320    HA   GLU  37           HA       GLU  37  -4.875   4.121   3.311
  321    HB2  GLU  37           1HB      GLU  37  -5.029   6.255   5.482
  322    HB3  GLU  37           2HB      GLU  37  -5.765   6.324   3.876
  323    HG2  GLU  37           1HG      GLU  37  -7.240   4.415   4.481
  324    HG3  GLU  37           2HG      GLU  37  -6.491   4.339   6.076
  325    H    VAL  38           H        VAL  38  -3.813   5.423   1.771
  326    HA   VAL  38           HA       VAL  38  -1.617   7.191   2.699
  327    HB   VAL  38           HB       VAL  38  -0.613   5.012   2.026
  328   HG11  VAL  38          1HG1      VAL  38  -2.153   4.475   0.131
  329   HG12  VAL  38          2HG1      VAL  38  -1.384   5.773  -0.813
  330   HG13  VAL  38          3HG1      VAL  38  -0.435   4.377  -0.287
  331   HG21  VAL  38          3HG2      VAL  38   1.196   5.986   0.666
  332   HG22  VAL  38          1HG2      VAL  38   0.200   7.388   0.283
  333   HG23  VAL  38          2HG2      VAL  38   0.718   7.097   1.958
  334    H    ARG  39           H        ARG  39  -1.287   8.995   1.622
  335    HA   ARG  39           HA       ARG  39  -2.925   9.705  -0.773
  336    HB2  ARG  39           1HB      ARG  39  -2.814  11.040   1.958
  337    HB3  ARG  39           2HB      ARG  39  -3.261  11.954   0.517
  338    HG2  ARG  39           1HG      ARG  39  -5.157  10.590   0.068
  339    HG3  ARG  39           2HG      ARG  39  -4.716   9.395   1.291
  340    HD2  ARG  39           1HD      ARG  39  -5.261  12.278   2.059
  341    HD3  ARG  39           2HD      ARG  39  -6.579  11.141   1.827
  342    HE   ARG  39           HE       ARG  39  -4.527  11.073   3.962
  343   HH11  ARG  39          1HH1      ARG  39  -7.394   9.432   2.602
  344   HH12  ARG  39          2HH1      ARG  39  -7.529   8.430   4.045
  345   HH21  ARG  39          1HH2      ARG  39  -4.959   9.743   5.789
  346   HH22  ARG  39          2HH2      ARG  39  -6.303   8.618   5.686
  347    H    VAL  40           H        VAL  40  -2.187  11.644  -1.822
  348    HA   VAL  40           HA       VAL  40   0.615  12.523  -1.357
  349    HB   VAL  40           HB       VAL  40  -0.398  11.594  -4.080
  350   HG11  VAL  40          1HG1      VAL  40   1.203  13.449  -4.277
  351   HG12  VAL  40          2HG1      VAL  40   2.342  12.615  -3.198
  352   HG13  VAL  40          3HG1      VAL  40   1.961  11.947  -4.799
  353   HG21  VAL  40          3HG2      VAL  40   1.340   9.813  -3.934
  354   HG22  VAL  40          1HG2      VAL  40   1.682  10.291  -2.262
  355   HG23  VAL  40          2HG2      VAL  40   0.100   9.607  -2.696
  356    H    GLU  41           H        GLU  41   0.857  14.678  -1.724
  357    HA   GLU  41           HA       GLU  41  -1.420  16.347  -1.837
  358    HB2  GLU  41           1HB      GLU  41   0.753  16.899  -0.777
  359    HB3  GLU  41           2HB      GLU  41   1.488  17.078  -2.377
  360    HG2  GLU  41           1HG      GLU  41  -0.058  18.942  -2.889
  361    HG3  GLU  41           2HG      GLU  41  -0.879  18.706  -1.343
  362    H    GLY  42           H        GLY  42  -2.563  17.256  -3.435
  363    HA2  GLY  42           1HA      GLY  42  -2.996  18.218  -5.540
  364    HA3  GLY  42           2HA      GLY  42  -1.523  17.480  -6.209
  365    H    PHE  43           H        PHE  43  -3.129  15.053  -4.556
  366    HA   PHE  43           HA       PHE  43  -4.777  14.228  -6.917
  367    HB2  PHE  43           1HB      PHE  43  -3.096  12.501  -5.063
  368    HB3  PHE  43           2HB      PHE  43  -4.174  11.905  -6.314
  369    HD1  PHE  43           2HD      PHE  43  -0.981  13.676  -5.665
  370    HD2  PHE  43           1HD      PHE  43  -3.581  12.060  -8.701
  371    HE1  PHE  43           2HE      PHE  43   0.799  13.974  -7.354
  372    HE2  PHE  43           1HE      PHE  43  -1.777  12.315 -10.382
  373    HZ   PHE  43           HZ       PHE  43   0.415  13.286  -9.718
  374    H    ASN  44           H        ASN  44  -6.822  13.621  -6.546
  375    HA   ASN  44           HA       ASN  44  -7.971  14.276  -3.960
  376    HB2  ASN  44           1HB      ASN  44 -10.074  14.148  -5.089
  377    HB3  ASN  44           2HB      ASN  44  -8.942  14.973  -6.151
  378   HD21  ASN  44          2HD2      ASN  44 -11.307  12.547  -6.053
  379   HD22  ASN  44          1HD2      ASN  44 -10.842  11.701  -7.518
  380    H    TYR  45           H        TYR  45  -6.829  11.331  -5.243
  381    HA   TYR  45           HA       TYR  45  -8.790   9.596  -3.899
  382    HB2  TYR  45           1HB      TYR  45  -7.911   9.208  -6.203
  383    HB3  TYR  45           2HB      TYR  45  -6.311   8.927  -5.514
  384    HD1  TYR  45           2HD      TYR  45  -9.856   7.727  -5.473
  385    HD2  TYR  45           1HD      TYR  45  -5.722   6.731  -4.747
  386    HE1  TYR  45           2HE      TYR  45 -10.494   5.349  -5.135
  387    HE2  TYR  45           1HE      TYR  45  -6.357   4.346  -4.411
  388    HH   TYR  45           HH       TYR  45  -9.763   3.229  -4.666
  389    H    ALA  46           H        ALA  46  -8.154   7.855  -2.504
  390    HA   ALA  46           HA       ALA  46  -5.539   8.064  -1.119
  391    HB1  ALA  46           1HB      ALA  46  -7.231   9.188   0.317
  392    HB2  ALA  46           2HB      ALA  46  -8.224   7.716   0.293
  393    HB3  ALA  46           3HB      ALA  46  -6.616   7.685   1.049
  394    H    GLY  47           H        GLY  47  -4.531   6.177  -1.296
  395    HA2  GLY  47           1HA      GLY  47  -5.923   3.709  -2.147
  396    HA3  GLY  47           2HA      GLY  47  -4.172   3.915  -1.920
  397    H    MET  48           H        MET  48  -6.233   1.922  -0.885
  398    HA   MET  48           HA       MET  48  -5.595   2.132   2.032
  399    HB2  MET  48           1HB      MET  48  -8.320   1.533   0.816
  400    HB3  MET  48           2HB      MET  48  -7.910   1.509   2.537
  401    HG2  MET  48           1HG      MET  48  -7.227   3.941   2.316
  402    HG3  MET  48           2HG      MET  48  -7.907   3.931   0.696
  403    HE1  MET  48           3HE      MET  48 -11.704   3.597   1.209
  404    HE2  MET  48           1HE      MET  48 -10.366   3.880   0.077
  405    HE3  MET  48           2HE      MET  48 -10.569   2.286   0.838
  406    H    GLY  49           H        GLY  49  -5.340   0.297   3.163
  407    HA2  GLY  49           1HA      GLY  49  -5.784  -2.377   1.965
  408    HA3  GLY  49           2HA      GLY  49  -4.115  -1.906   2.242
  409    H    ASN  50           H        ASN  50  -4.888  -4.107   3.477
  410    HA   ASN  50           HA       ASN  50  -4.425  -3.356   6.235
  411    HB2  ASN  50           1HB      ASN  50  -6.245  -4.506   7.266
  412    HB3  ASN  50           2HB      ASN  50  -6.950  -3.426   6.073
  413   HD21  ASN  50          2HD2      ASN  50  -7.900  -4.394   4.115
  414   HD22  ASN  50          1HD2      ASN  50  -8.286  -6.106   4.095
  415    H    SER  51           H        SER  51  -3.801  -5.207   7.617
  416    HA   SER  51           HA       SER  51  -3.374  -7.840   6.534
  417    HB2  SER  51           1HB      SER  51  -1.529  -6.439   5.368
  418    HB3  SER  51           2HB      SER  51  -0.800  -6.303   6.969
  419    HG   SER  51           HG       SER  51  -1.183  -8.590   5.329
  420    H    THR  52           H        THR  52  -1.384  -8.827   8.088
  421    HA   THR  52           HA       THR  52  -2.437  -8.739  10.841
  422    HB   THR  52           HB       THR  52  -0.777 -10.581  11.187
  423    HG1  THR  52           1HG      THR  52   0.276 -11.344   9.300
  424   HG21  THR  52          3HG2      THR  52  -1.918 -12.252   9.846
  425   HG22  THR  52          1HG2      THR  52  -3.107 -11.060  10.395
  426   HG23  THR  52          2HG2      THR  52  -2.520 -11.020   8.719
  427    H    ASN  53           H        ASN  53  -0.151  -6.962   9.177
  428    HA   ASN  53           HA       ASN  53   1.054  -5.920  11.635
  429    HB2  ASN  53           1HB      ASN  53   3.326  -6.309  10.988
  430    HB3  ASN  53           2HB      ASN  53   2.495  -7.860  10.969
  431   HD21  ASN  53          2HD2      ASN  53   2.174  -8.931   8.890
  432   HD22  ASN  53          1HD2      ASN  53   3.002  -8.328   7.452
  433    H    LYS  54           H        LYS  54   2.268  -3.934  11.275
  434    HA   LYS  54           HA       LYS  54   0.800  -2.131   9.623
  435    HB2  LYS  54           1HB      LYS  54   3.401  -1.822  11.186
  436    HB3  LYS  54           2HB      LYS  54   2.536  -0.486  10.426
  437    HG2  LYS  54           1HG      LYS  54   0.510  -1.036  11.797
  438    HG3  LYS  54           2HG      LYS  54   1.437  -2.300  12.623
  439    HD2  LYS  54           1HD      LYS  54   3.074  -0.595  13.394
  440    HD3  LYS  54           2HD      LYS  54   2.124   0.675  12.588
  441    HE2  LYS  54           1HE      LYS  54   0.162   0.106  14.007
  442    HE3  LYS  54           2HE      LYS  54   1.098  -1.171  14.795
  443    HZ1  LYS  54           3HZ      LYS  54   1.092   0.862  16.116
  444    HZ2  LYS  54           1HZ      LYS  54   2.615   0.539  15.627
  445    HZ3  LYS  54           2HZ      LYS  54   1.756   1.725  14.898
  446    H    LYS  55           H        LYS  55   3.859  -3.778   8.905
  447    HA   LYS  55           HA       LYS  55   4.608  -1.944   6.750
  448    HB2  LYS  55           1HB      LYS  55   5.592  -4.743   7.437
  449    HB3  LYS  55           2HB      LYS  55   6.264  -3.697   6.184
  450    HG2  LYS  55           1HG      LYS  55   6.699  -1.945   7.964
  451    HG3  LYS  55           2HG      LYS  55   6.236  -3.135   9.183
  452    HD2  LYS  55           1HD      LYS  55   8.533  -3.341   7.190
  453    HD3  LYS  55           2HD      LYS  55   8.690  -3.003   8.908
  454    HE2  LYS  55           1HE      LYS  55   7.619  -5.608   7.712
  455    HE3  LYS  55           2HE      LYS  55   9.272  -5.352   8.264
  456    HZ1  LYS  55           3HZ      LYS  55   7.968  -6.431   9.972
  457    HZ2  LYS  55           1HZ      LYS  55   8.408  -4.951  10.504
  458    HZ3  LYS  55           2HZ      LYS  55   6.872  -5.222  10.004
  459    H    ASP  56           H        ASP  56   3.129  -5.228   6.761
  460    HA   ASP  56           HA       ASP  56   2.699  -5.247   3.893
  461    HB2  ASP  56           1HB      ASP  56   1.578  -6.841   6.203
  462    HB3  ASP  56           2HB      ASP  56   0.957  -7.026   4.565
  463    H    ALA  57           H        ALA  57   0.760  -3.981   6.600
  464    HA   ALA  57           HA       ALA  57  -1.595  -3.430   5.026
  465    HB1  ALA  57           1HB      ALA  57  -1.544  -3.535   7.502
  466    HB2  ALA  57           2HB      ALA  57  -0.565  -2.051   7.547
  467    HB3  ALA  57           3HB      ALA  57  -2.226  -2.005   6.916
  468    H    GLN  58           H        GLN  58   1.247  -1.358   5.833
  469    HA   GLN  58           HA       GLN  58   0.516   0.872   4.162
  470    HB2  GLN  58           1HB      GLN  58   3.171  -0.219   5.166
  471    HB3  GLN  58           2HB      GLN  58   3.075   1.198   4.121
  472    HG2  GLN  58           1HG      GLN  58   1.822   2.456   5.735
  473    HG3  GLN  58           2HG      GLN  58   1.570   1.037   6.758
  474   HE21  GLN  58          2HE2      GLN  58   3.415   0.149   7.910
  475   HE22  GLN  58          1HE2      GLN  58   4.816   1.175   8.246
  476    H    SER  59           H        SER  59   2.317  -2.147   3.404
  477    HA   SER  59           HA       SER  59   2.976  -1.456   0.709
  478    HB2  SER  59           1HB      SER  59   2.365  -4.204   1.873
  479    HB3  SER  59           2HB      SER  59   3.184  -3.880   0.345
  480    HG   SER  59           HG       SER  59   4.099  -3.180   2.962
  481    H    ASN  60           H        ASN  60   0.018  -2.918   2.072
  482    HA   ASN  60           HA       ASN  60  -1.212  -3.313  -0.543
  483    HB2  ASN  60           1HB      ASN  60  -2.251  -3.488   2.309
  484    HB3  ASN  60           2HB      ASN  60  -3.264  -3.784   0.896
  485   HD21  ASN  60          2HD2      ASN  60  -2.750  -5.804   2.913
  486   HD22  ASN  60          1HD2      ASN  60  -1.852  -7.066   2.098
  487    H    ALA  61           H        ALA  61  -1.407  -0.736   1.942
  488    HA   ALA  61           HA       ALA  61  -3.354   0.879   0.559
  489    HB1  ALA  61           1HB      ALA  61  -2.688   1.171   2.944
  490    HB2  ALA  61           2HB      ALA  61  -1.079   1.717   2.418
  491    HB3  ALA  61           3HB      ALA  61  -2.518   2.672   2.013
  492    H    ALA  62           H        ALA  62   0.242   0.862   0.426
  493    HA   ALA  62           HA       ALA  62   0.538   2.880  -1.554
  494    HB1  ALA  62           1HB      ALA  62   2.359   2.006  -0.115
  495    HB2  ALA  62           2HB      ALA  62   2.290   0.450  -0.961
  496    HB3  ALA  62           3HB      ALA  62   2.787   1.912  -1.839
  497    H    ARG  63           H        ARG  63   0.292  -0.706  -1.973
  498    HA   ARG  63           HA       ARG  63   0.428  -0.702  -4.763
  499    HB2  ARG  63           1HB      ARG  63   0.517  -2.750  -3.324
  500    HB3  ARG  63           2HB      ARG  63  -1.196  -2.566  -2.975
  501    HG2  ARG  63           1HG      ARG  63  -0.896  -4.269  -4.668
  502    HG3  ARG  63           2HG      ARG  63  -1.747  -2.900  -5.357
  503    HD2  ARG  63           1HD      ARG  63   0.833  -2.241  -6.047
  504    HD3  ARG  63           2HD      ARG  63   0.976  -3.991  -5.964
  505    HE   ARG  63           HE       ARG  63  -1.096  -2.532  -7.593
  506   HH11  ARG  63          1HH1      ARG  63   1.394  -5.063  -7.566
  507   HH12  ARG  63          2HH1      ARG  63   1.011  -5.539  -9.194
  508   HH21  ARG  63          1HH2      ARG  63  -1.509  -3.166  -9.592
  509   HH22  ARG  63          2HH2      ARG  63  -0.624  -4.471 -10.350
  510    H    ASP  64           H        ASP  64  -2.469  -0.108  -2.727
  511    HA   ASP  64           HA       ASP  64  -4.247  -0.007  -5.006
  512    HB2  ASP  64           1HB      ASP  64  -4.930  -0.645  -2.731
  513    HB3  ASP  64           2HB      ASP  64  -4.623   1.005  -2.182
  514    H    PHE  65           H        PHE  65  -2.307   2.512  -3.359
  515    HA   PHE  65           HA       PHE  65  -3.543   4.651  -4.938
  516    HB2  PHE  65           1HB      PHE  65  -2.441   5.014  -2.715
  517    HB3  PHE  65           2HB      PHE  65  -0.884   4.742  -3.485
  518    HD1  PHE  65           2HD      PHE  65  -0.043   6.380  -5.201
  519    HD2  PHE  65           1HD      PHE  65  -3.753   7.039  -3.114
  520    HE1  PHE  65           2HE      PHE  65  -0.059   8.744  -5.964
  521    HE2  PHE  65           1HE      PHE  65  -3.778   9.389  -3.906
  522    HZ   PHE  65           HZ       PHE  65  -1.937  10.240  -5.343
  523    H    VAL  66           H        VAL  66  -0.594   2.633  -5.238
  524    HA   VAL  66           HA       VAL  66   0.335   3.781  -7.705
  525    HB   VAL  66           HB       VAL  66   0.644   0.981  -6.567
  526   HG11  VAL  66          1HG1      VAL  66   0.966   0.712  -8.956
  527   HG12  VAL  66          2HG1      VAL  66   1.932   2.202  -9.046
  528   HG13  VAL  66          3HG1      VAL  66   2.563   0.773  -8.200
  529   HG21  VAL  66          3HG2      VAL  66   2.863   1.744  -5.959
  530   HG22  VAL  66          1HG2      VAL  66   2.621   3.288  -6.818
  531   HG23  VAL  66          2HG2      VAL  66   1.696   2.924  -5.354
  532    H    ASN  67           H        ASN  67  -1.960   1.110  -7.070
  533    HA   ASN  67           HA       ASN  67  -2.739   0.615  -9.763
  534    HB2  ASN  67           1HB      ASN  67  -4.372   0.464  -7.204
  535    HB3  ASN  67           2HB      ASN  67  -4.991  -0.012  -8.777
  536   HD21  ASN  67          2HD2      ASN  67  -4.908  -1.828  -6.657
  537   HD22  ASN  67          1HD2      ASN  67  -3.769  -3.084  -7.089
  538    H    TYR  68           H        TYR  68  -4.205   3.073  -7.480
  539    HA   TYR  68           HA       TYR  68  -5.875   4.323  -9.377
  540    HB2  TYR  68           1HB      TYR  68  -6.186   4.992  -7.206
  541    HB3  TYR  68           2HB      TYR  68  -4.494   5.258  -6.889
  542    HD1  TYR  68           2HD      TYR  68  -7.426   6.668  -8.742
  543    HD2  TYR  68           1HD      TYR  68  -3.502   7.401  -7.107
  544    HE1  TYR  68           2HE      TYR  68  -7.725   9.104  -9.123
  545    HE2  TYR  68           1HE      TYR  68  -3.793   9.832  -7.494
  546    HH   TYR  68           HH       TYR  68  -6.838  11.207  -8.823
  547    H    LEU  69           H        LEU  69  -2.386   5.023  -8.866
  548    HA   LEU  69           HA       LEU  69  -2.245   7.002 -10.932
  549    HB2  LEU  69           1HB      LEU  69  -0.080   5.151  -9.891
  550    HB3  LEU  69           2HB      LEU  69   0.167   6.560 -10.917
  551    HG   LEU  69           HG       LEU  69  -1.044   6.744  -8.133
  552   HD11  LEU  69          1HD1      LEU  69   1.230   5.873  -7.998
  553   HD12  LEU  69          2HD1      LEU  69   1.811   7.138  -9.093
  554   HD13  LEU  69          3HD1      LEU  69   1.215   7.562  -7.475
  555   HD21  LEU  69          3HD2      LEU  69  -0.445   9.152  -8.369
  556   HD22  LEU  69          1HD2      LEU  69  -0.005   8.856 -10.063
  557   HD23  LEU  69          2HD2      LEU  69  -1.683   8.639  -9.517
  558    H    VAL  70           H        VAL  70  -2.393   3.514 -11.279
  559    HA   VAL  70           HA       VAL  70  -1.818   3.661 -14.174
  560    HB   VAL  70           HB       VAL  70  -2.960   1.337 -12.583
  561   HG11  VAL  70          1HG1      VAL  70  -3.485   1.113 -14.972
  562   HG12  VAL  70          2HG1      VAL  70  -1.787   1.428 -15.398
  563   HG13  VAL  70          3HG1      VAL  70  -2.245  -0.044 -14.514
  564   HG21  VAL  70          3HG2      VAL  70  -0.725   0.356 -12.665
  565   HG22  VAL  70          1HG2      VAL  70  -0.091   1.775 -13.520
  566   HG23  VAL  70          2HG2      VAL  70  -0.653   1.915 -11.848
  567    H    ARG  71           H        ARG  71  -4.700   3.481 -12.055
  568    HA   ARG  71           HA       ARG  71  -6.700   3.337 -14.081
  569    HB2  ARG  71           1HB      ARG  71  -6.896   4.723 -11.384
  570    HB3  ARG  71           2HB      ARG  71  -8.245   4.300 -12.420
  571    HG2  ARG  71           1HG      ARG  71  -7.858   1.916 -12.113
  572    HG3  ARG  71           2HG      ARG  71  -6.374   2.225 -11.223
  573    HD2  ARG  71           1HD      ARG  71  -7.861   3.586  -9.570
  574    HD3  ARG  71           2HD      ARG  71  -9.217   2.783 -10.347
  575    HE   ARG  71           HE       ARG  71  -8.077   0.599  -9.729
  576   HH11  ARG  71          1HH1      ARG  71  -7.581   3.413  -7.593
  577   HH12  ARG  71          2HH1      ARG  71  -7.231   2.367  -6.245
  578   HH21  ARG  71          1HH2      ARG  71  -7.759  -0.578  -7.910
  579   HH22  ARG  71          2HH2      ARG  71  -7.327   0.217  -6.394
  580    H    ILE  72           H        ILE  72  -4.891   6.136 -12.863
  581    HA   ILE  72           HA       ILE  72  -6.215   7.888 -14.901
  582    HB   ILE  72           HB       ILE  72  -5.361   9.778 -13.757
  583   HG12  ILE  72          1HG1      ILE  72  -4.092   8.067 -11.603
  584   HG13  ILE  72          2HG1      ILE  72  -3.163   8.659 -12.975
  585   HG21  ILE  72          1HG2      ILE  72  -7.467   8.698 -12.965
  586   HG22  ILE  72          2HG2      ILE  72  -6.543   7.869 -11.694
  587   HG23  ILE  72          3HG2      ILE  72  -6.657   9.639 -11.709
  588   HD11  ILE  72          3HD1      ILE  72  -2.870  10.133 -11.073
  589   HD12  ILE  72          1HD1      ILE  72  -3.744  10.993 -12.354
  590   HD13  ILE  72          2HD1      ILE  72  -4.616  10.381 -10.930
  591    H    ASN  73           H        ASN  73  -3.756   5.849 -15.093
  592    HA   ASN  73           HA       ASN  73  -2.088   5.516 -16.525
  593    HB2  ASN  73           1HB      ASN  73  -3.272   7.837 -18.094
  594    HB3  ASN  73           2HB      ASN  73  -2.207   6.586 -18.718
  595   HD21  ASN  73          2HD2      ASN  73  -3.007   4.313 -18.753
  596   HD22  ASN  73          1HD2      ASN  73  -4.739   4.056 -18.854
  597    H    GLU  74           H        GLU  74  -1.581   7.557 -14.349
  598    HA   GLU  74           HA       GLU  74   0.745   9.078 -15.364
  599    HB2  GLU  74           1HB      GLU  74  -0.516   8.737 -12.618
  600    HB3  GLU  74           2HB      GLU  74   0.987   9.618 -12.875
  601    HG2  GLU  74           1HG      GLU  74  -1.697  10.313 -14.132
  602    HG3  GLU  74           2HG      GLU  74  -0.942  11.135 -12.768
  603    H    VAL  75           H        VAL  75   0.150   5.903 -14.183
  604    HA   VAL  75           HA       VAL  75   3.079   5.327 -14.340
  605    HB   VAL  75           HB       VAL  75   1.133   4.157 -12.289
  606   HG11  VAL  75          1HG1      VAL  75   2.710   2.386 -13.033
  607   HG12  VAL  75          2HG1      VAL  75   4.082   3.514 -12.788
  608   HG13  VAL  75          3HG1      VAL  75   3.129   2.936 -11.411
  609   HG21  VAL  75          3HG2      VAL  75   2.631   5.117 -10.611
  610   HG22  VAL  75          1HG2      VAL  75   3.742   5.661 -11.887
  611   HG23  VAL  75          2HG2      VAL  75   2.158   6.423 -11.709
  612    H    LYS  76           H        LYS  76   3.579   3.483 -15.469
  613    HA   LYS  76           HA       LYS  76   1.387   2.032 -16.891
  614    HB2  LYS  76           1HB      LYS  76   4.409   1.958 -17.296
  615    HB3  LYS  76           2HB      LYS  76   3.197   1.148 -18.282
  616    HG2  LYS  76           1HG      LYS  76   2.218   3.352 -18.918
  617    HG3  LYS  76           2HG      LYS  76   3.504   4.168 -18.006
  618    HD2  LYS  76           1HD      LYS  76   5.216   3.092 -19.443
  619    HD3  LYS  76           2HD      LYS  76   3.930   2.280 -20.364
  620    HE2  LYS  76           1HE      LYS  76   2.985   4.498 -20.987
  621    HE3  LYS  76           2HE      LYS  76   4.267   5.304 -20.075
  622    HZ1  LYS  76           3HZ      LYS  76   4.799   5.187 -22.436
  623    HZ2  LYS  76           1HZ      LYS  76   5.885   4.304 -21.595
  624    HZ3  LYS  76           2HZ      LYS  76   4.698   3.558 -22.438
  625    H    SER  77           H        SER  77   0.871  -0.097 -16.337
  626    HA   SER  77           HA       SER  77   1.627  -0.973 -13.735
  627    HB2  SER  77           1HB      SER  77   0.388  -3.050 -14.312
  628    HB3  SER  77           2HB      SER  77  -0.512  -1.550 -14.559
  629    HG   SER  77           HG       SER  77  -0.738  -3.034 -16.320
  630    H    GLU  78           H        GLU  78   3.066  -1.770 -16.874
  631    HA   GLU  78           HA       GLU  78   4.492  -4.092 -16.129
  632    HB2  GLU  78           1HB      GLU  78   5.545  -1.971 -18.032
  633    HB3  GLU  78           2HB      GLU  78   5.920  -3.688 -17.996
  634    HG2  GLU  78           1HG      GLU  78   4.449  -3.765 -19.704
  635    HG3  GLU  78           2HG      GLU  78   3.261  -3.908 -18.414
  636    H    GLU  79           H        GLU  79   5.087  -0.806 -15.111
  637    HA   GLU  79           HA       GLU  79   7.878  -1.276 -14.288
  638    HB2  GLU  79           1HB      GLU  79   5.950   1.023 -13.759
  639    HB3  GLU  79           2HB      GLU  79   7.647   1.003 -13.329
  640    HG2  GLU  79           1HG      GLU  79   6.530   0.893 -16.165
  641    HG3  GLU  79           2HG      GLU  79   7.222   2.304 -15.379
  642    H    VAL  80           H        VAL  80   4.787  -1.915 -12.920
  643    HA   VAL  80           HA       VAL  80   5.417  -1.127 -10.192
  644    HB   VAL  80           HB       VAL  80   3.024  -2.664 -11.267
  645   HG11  VAL  80          1HG1      VAL  80   3.244  -3.070  -8.861
  646   HG12  VAL  80          2HG1      VAL  80   3.480  -1.335  -8.568
  647   HG13  VAL  80          3HG1      VAL  80   1.917  -1.939  -9.152
  648   HG21  VAL  80          3HG2      VAL  80   1.859  -0.485 -11.085
  649   HG22  VAL  80          1HG2      VAL  80   3.375   0.292 -10.576
  650   HG23  VAL  80          2HG2      VAL  80   3.214  -0.364 -12.210
  651    HA   PRO  81           HA       PRO  81   7.364  -5.074  -9.289
  652    HB2  PRO  81           1HB      PRO  81   7.813  -4.822  -6.598
  653    HB3  PRO  81           2HB      PRO  81   8.740  -3.927  -7.842
  654    HG2  PRO  81           1HG      PRO  81   6.355  -2.955  -6.242
  655    HG3  PRO  81           2HG      PRO  81   7.921  -2.125  -6.520
  656    HD2  PRO  81           1HD      PRO  81   5.725  -1.561  -8.021
  657    HD3  PRO  81           2HD      PRO  81   7.354  -1.602  -8.754
  658    H    ALA  82           H        ALA  82   6.605  -7.042  -8.892
  659    HA   ALA  82           HA       ALA  82   4.595  -7.727  -6.924
  660    HB1  ALA  82           1HB      ALA  82   3.160  -6.744  -8.697
  661    HB2  ALA  82           2HB      ALA  82   3.899  -7.811  -9.905
  662    HB3  ALA  82           3HB      ALA  82   2.901  -8.493  -8.600
  663    H    VAL  83           H        VAL  83   4.094 -10.116  -7.052
  664    HA   VAL  83           HA       VAL  83   6.417 -11.684  -7.378
  665    HB   VAL  83           HB       VAL  83   3.997 -13.336  -7.512
  666   HG11  VAL  83          1HG1      VAL  83   6.237 -14.040  -6.699
  667   HG12  VAL  83          2HG1      VAL  83   6.090 -12.883  -5.354
  668   HG13  VAL  83          3HG1      VAL  83   4.987 -14.276  -5.461
  669   HG21  VAL  83          3HG2      VAL  83   3.039 -12.821  -5.325
  670   HG22  VAL  83          1HG2      VAL  83   4.060 -11.378  -5.183
  671   HG23  VAL  83          2HG2      VAL  83   2.801 -11.478  -6.445
  672    H    GLY  84           H        GLY  84   4.069 -10.783  -9.736
  673    HA2  GLY  84           1HA      GLY  84   5.644 -12.014 -11.864
  674    HA3  GLY  84           2HA      GLY  84   3.979 -12.582 -11.784
  675    H    ILE  85           H        ILE  85   5.290 -10.976 -13.867
  676    HA   ILE  85           HA       ILE  85   3.506  -8.569 -13.889
  677    HB   ILE  85           HB       ILE  85   6.370  -8.731 -14.918
  678   HG12  ILE  85          1HG1      ILE  85   5.127  -7.214 -12.573
  679   HG13  ILE  85          2HG1      ILE  85   6.277  -8.545 -12.467
  680   HG21  ILE  85          1HG2      ILE  85   4.934  -7.330 -16.390
  681   HG22  ILE  85          2HG2      ILE  85   4.399  -6.394 -14.974
  682   HG23  ILE  85          3HG2      ILE  85   6.089  -6.350 -15.519
  683   HD11  ILE  85          3HD1      ILE  85   7.477  -6.548 -12.022
  684   HD12  ILE  85          1HD1      ILE  85   7.991  -7.118 -13.623
  685   HD13  ILE  85          2HD1      ILE  85   6.862  -5.746 -13.471
  686    H    VAL  86           H        VAL  86   2.416  -8.188 -15.759
  687    HA   VAL  86           HA       VAL  86   2.580 -10.139 -18.003
  688    HB   VAL  86           HB       VAL  86   0.064  -9.442 -16.425
  689   HG11  VAL  86          1HG1      VAL  86  -0.476  -9.823 -18.807
  690   HG12  VAL  86          2HG1      VAL  86   0.402 -11.372 -18.764
  691   HG13  VAL  86          3HG1      VAL  86  -1.075 -11.143 -17.809
  692   HG21  VAL  86          3HG2      VAL  86   0.006 -11.861 -15.822
  693   HG22  VAL  86          1HG2      VAL  86   1.601 -12.073 -16.575
  694   HG23  VAL  86          2HG2      VAL  86   1.406 -11.040 -15.139
  695    HA   PRO  87           HA       PRO  87   2.146  -6.419 -20.442
  696    HB2  PRO  87           1HB      PRO  87   0.356  -8.160 -22.164
  697    HB3  PRO  87           2HB      PRO  87   1.611  -6.987 -22.683
  698    HG2  PRO  87           1HG      PRO  87   2.212  -9.612 -22.600
  699    HG3  PRO  87           2HG      PRO  87   3.372  -8.427 -21.912
  700    HD2  PRO  87           1HD      PRO  87   1.363 -10.158 -20.466
  701    HD3  PRO  87           2HD      PRO  87   3.067  -9.810 -20.045
  702    HA   PRO  88           HA       PRO  88  -1.458  -4.611 -18.871
  703    HB2  PRO  88           1HB      PRO  88  -1.659  -2.219 -20.193
  704    HB3  PRO  88           2HB      PRO  88  -0.293  -2.624 -19.108
  705    HG2  PRO  88           1HG      PRO  88  -0.403  -2.908 -22.132
  706    HG3  PRO  88           2HG      PRO  88   0.854  -2.095 -21.147
  707    HD2  PRO  88           1HD      PRO  88   1.158  -4.660 -21.987
  708    HD3  PRO  88           2HD      PRO  88   1.698  -4.163 -20.356
  709    HA   PRO  89           HA       PRO  89  -5.099  -5.355 -21.444
  710    HB2  PRO  89           1HB      PRO  89  -7.050  -4.154 -19.987
  711    HB3  PRO  89           2HB      PRO  89  -6.170  -5.586 -19.374
  712    HG2  PRO  89           1HG      PRO  89  -5.593  -2.660 -18.774
  713    HG3  PRO  89           2HG      PRO  89  -5.815  -4.000 -17.601
  714    HD2  PRO  89           1HD      PRO  89  -3.348  -3.190 -18.445
  715    HD3  PRO  89           2HD      PRO  89  -3.703  -4.914 -18.117
  716    H    SER  90           H        SER  90  -6.904  -4.092 -22.567
  717    HA   SER  90           HA       SER  90  -5.883  -1.726 -23.898
  718    HB2  SER  90           1HB      SER  90  -8.092  -1.805 -25.049
  719    HB3  SER  90           2HB      SER  90  -7.185  -3.321 -25.124
  720    HG   SER  90           HG       SER  90  -9.418  -3.652 -24.602
  721    H    GLY  91           H        GLY  91  -7.556  -2.097 -20.953
  722    HA2  GLY  91           1HA      GLY  91  -7.561   0.772 -20.530
  723    HA3  GLY  91           2HA      GLY  91  -9.184   0.102 -20.528
  724    HA   PRO  92           HA       PRO  92  -6.707  -1.019 -16.545
  725    HB2  PRO  92           1HB      PRO  92  -6.683   1.155 -14.903
  726    HB3  PRO  92           2HB      PRO  92  -5.463   0.892 -16.186
  727    HG2  PRO  92           1HG      PRO  92  -7.954   2.619 -16.336
  728    HG3  PRO  92           2HG      PRO  92  -6.277   3.056 -16.791
  729    HD2  PRO  92           1HD      PRO  92  -8.100   2.199 -18.635
  730    HD3  PRO  92           2HD      PRO  92  -6.369   1.761 -18.756
  731    H    SER  93           H        SER  93  -7.868  -2.086 -15.040
  732    HA   SER  93           HA       SER  93 -10.432  -1.023 -13.979
  733    HB2  SER  93           1HB      SER  93 -10.791  -2.217 -16.199
  734    HB3  SER  93           2HB      SER  93 -10.294  -3.708 -15.392
  735    HG   SER  93           HG       SER  93 -12.041  -3.353 -13.898
  736    H    SER  94           H        SER  94  -7.661  -1.962 -12.963
  737    HA   SER  94           HA       SER  94  -6.738  -2.860 -11.112
  738    HB2  SER  94           1HB      SER  94  -9.532  -3.106  -9.970
  739    HB3  SER  94           2HB      SER  94  -8.001  -3.013  -9.093
  740    HG   SER  94           HG       SER  94  -9.277  -1.008 -10.645
  741    H    GLY  95           H        GLY  95  -8.715  -4.896 -12.929
  742    HA2  GLY  95           1HA      GLY  95  -7.198  -7.239 -12.525
  743    HA3  GLY  95           2HA      GLY  95  -8.599  -7.355 -11.458
  Start of MODEL    3
    1    H1   GLY  -3           1H       GLY  -3  14.842  -7.617  15.703
    2    H2   GLY  -3           2H       GLY  -3  16.343  -7.217  15.187
    3    H3   GLY  -3           3H       GLY  -3  15.468  -6.146  16.069
    4    HA2  GLY  -3           1HA      GLY  -3  13.841  -5.918  14.319
    5    HA3  GLY  -3           2HA      GLY  -3  15.470  -5.498  13.754
    6    H    SER  -2           H        SER  -2  14.510  -5.938  11.611
    7    HA   SER  -2           HA       SER  -2  15.087  -8.636  10.652
    8    HB2  SER  -2           1HB      SER  -2  12.823  -9.025   9.706
    9    HB3  SER  -2           2HB      SER  -2  12.882  -9.112  11.467
   10    HG   SER  -2           HG       SER  -2  11.068  -7.919  10.812
   11    H    SER  -1           H        SER  -1  12.847  -6.226   9.325
   12    HA   SER  -1           HA       SER  -1  14.768  -4.883   7.598
   13    HB2  SER  -1           1HB      SER  -1  14.562  -7.006   6.360
   14    HB3  SER  -1           2HB      SER  -1  12.798  -6.836   6.345
   15    HG   SER  -1           HG       SER  -1  13.920  -6.105   4.399
   16    H    GLY   0           H        GLY   0  13.892  -3.024   6.686
   17    HA2  GLY   0           1HA      GLY   0  11.049  -2.305   7.328
   18    HA3  GLY   0           2HA      GLY   0  12.384  -1.169   7.020
   19    H    SER   1           H        SER   1  12.684  -3.645   4.776
   20    HA   SER   1           HA       SER   1  11.895  -1.758   2.675
   21    HB2  SER   1           1HB      SER   1  13.325  -4.431   2.543
   22    HB3  SER   1           2HB      SER   1  13.099  -3.309   1.191
   23    HG   SER   1           HG       SER   1  15.161  -3.059   2.230
   24    H    SER   2           H        SER   2  10.495  -2.064   0.985
   25    HA   SER   2           HA       SER   2   9.183  -4.585   0.396
   26    HB2  SER   2           1HB      SER   2   7.698  -3.864   2.194
   27    HB3  SER   2           2HB      SER   2   7.547  -2.256   1.467
   28    HG   SER   2           HG       SER   2   5.789  -3.619   0.956
   29    H    GLY   3           H        GLY   3   8.784  -4.625  -1.796
   30    HA2  GLY   3           1HA      GLY   3  10.060  -2.605  -3.345
   31    HA3  GLY   3           2HA      GLY   3   9.145  -3.985  -3.983
   32    H    ILE   4           H        ILE   4   6.577  -3.275  -2.908
   33    HA   ILE   4           HA       ILE   4   5.833  -1.232  -4.881
   34    HB   ILE   4           HB       ILE   4   4.497  -3.277  -4.539
   35   HG12  ILE   4          1HG1      ILE   4   2.278  -2.286  -4.569
   36   HG13  ILE   4          2HG1      ILE   4   2.891  -0.753  -3.949
   37   HG21  ILE   4          1HG2      ILE   4   4.673  -3.469  -2.057
   38   HG22  ILE   4          2HG2      ILE   4   3.618  -2.047  -1.887
   39   HG23  ILE   4          3HG2      ILE   4   3.001  -3.534  -2.625
   40   HD11  ILE   4          3HD1      ILE   4   2.452  -0.778  -6.413
   41   HD12  ILE   4          1HD1      ILE   4   4.133  -0.382  -6.036
   42   HD13  ILE   4          2HD1      ILE   4   3.707  -2.016  -6.607
   43    H    LYS   5           H        LYS   5   6.128  -1.316  -1.378
   44    HA   LYS   5           HA       LYS   5   4.987   1.295  -0.886
   45    HB2  LYS   5           1HB      LYS   5   5.525  -0.813   0.639
   46    HB3  LYS   5           2HB      LYS   5   7.084  -0.038   0.859
   47    HG2  LYS   5           1HG      LYS   5   4.375   1.258   1.443
   48    HG3  LYS   5           2HG      LYS   5   5.331   0.357   2.618
   49    HD2  LYS   5           1HD      LYS   5   7.220   2.006   2.275
   50    HD3  LYS   5           2HD      LYS   5   6.102   2.990   1.294
   51    HE2  LYS   5           1HE      LYS   5   4.513   3.083   3.203
   52    HE3  LYS   5           2HE      LYS   5   5.579   2.051   4.159
   53    HZ1  LYS   5           3HZ      LYS   5   5.853   4.342   4.760
   54    HZ2  LYS   5           1HZ      LYS   5   7.249   3.813   4.093
   55    HZ3  LYS   5           2HZ      LYS   5   6.245   4.786   3.231
   56    H    ASN   6           H        ASN   6   8.317   0.119  -1.472
   57    HA   ASN   6           HA       ASN   6   9.585   2.700  -1.477
   58    HB2  ASN   6           1HB      ASN   6  10.761   0.506  -1.214
   59    HB3  ASN   6           2HB      ASN   6  10.359   0.111  -2.883
   60   HD21  ASN   6          2HD2      ASN   6  12.110   0.419  -4.235
   61   HD22  ASN   6          1HD2      ASN   6  13.288   1.704  -4.045
   62    H    PHE   7           H        PHE   7   7.896   0.838  -4.053
   63    HA   PHE   7           HA       PHE   7   8.829   2.431  -6.234
   64    HB2  PHE   7           1HB      PHE   7   7.924   0.209  -6.549
   65    HB3  PHE   7           2HB      PHE   7   6.349   0.709  -5.937
   66    HD1  PHE   7           2HD      PHE   7   8.739   1.006  -8.767
   67    HD2  PHE   7           1HD      PHE   7   4.786   1.940  -7.326
   68    HE1  PHE   7           2HE      PHE   7   8.056   1.663 -11.059
   69    HE2  PHE   7           1HE      PHE   7   4.112   2.613  -9.614
   70    HZ   PHE   7           HZ       PHE   7   5.739   2.462 -11.491
   71    H    LEU   8           H        LEU   8   5.832   2.740  -4.224
   72    HA   LEU   8           HA       LEU   8   4.851   5.038  -5.614
   73    HB2  LEU   8           1HB      LEU   8   3.530   3.665  -4.015
   74    HB3  LEU   8           2HB      LEU   8   4.530   4.256  -2.679
   75    HG   LEU   8           HG       LEU   8   3.700   6.516  -2.946
   76   HD11  LEU   8          1HD1      LEU   8   3.426   6.719  -5.384
   77   HD12  LEU   8          2HD1      LEU   8   2.110   5.525  -5.356
   78   HD13  LEU   8          3HD1      LEU   8   1.918   7.111  -4.571
   79   HD21  LEU   8          3HD2      LEU   8   1.336   6.179  -2.386
   80   HD22  LEU   8          1HD2      LEU   8   1.375   4.555  -3.105
   81   HD23  LEU   8          2HD2      LEU   8   2.322   4.908  -1.644
   82    H    TYR   9           H        TYR   9   7.046   4.789  -2.794
   83    HA   TYR   9           HA       TYR   9   7.398   7.577  -2.405
   84    HB2  TYR   9           1HB      TYR   9   7.959   5.757  -0.802
   85    HB3  TYR   9           2HB      TYR   9   9.320   5.293  -1.808
   86    HD1  TYR   9           1HD      TYR   9   7.973   7.862   0.487
   87    HD2  TYR   9           2HD      TYR   9  11.370   6.637  -1.869
   88    HE1  TYR   9           1HE      TYR   9   9.388   9.546   1.656
   89    HE2  TYR   9           2HE      TYR   9  12.787   8.317  -0.707
   90    HH   TYR   9           HH       TYR   9  12.869   9.978   0.886
   91    H    ALA  10           H        ALA  10   9.305   5.298  -4.406
   92    HA   ALA  10           HA       ALA  10  11.214   7.223  -5.358
   93    HB1  ALA  10           1HB      ALA  10  11.590   4.781  -5.356
   94    HB2  ALA  10           2HB      ALA  10  10.288   4.568  -6.550
   95    HB3  ALA  10           3HB      ALA  10  11.764   5.452  -6.989
   96    H    TRP  11           H        TRP  11   8.094   6.087  -6.758
   97    HA   TRP  11           HA       TRP  11   8.175   7.602  -9.167
   98    HB2  TRP  11           1HB      TRP  11   6.587   5.801  -8.739
   99    HB3  TRP  11           2HB      TRP  11   5.861   6.688  -7.418
  100    HD1  TRP  11           HD       TRP  11   5.873   6.518 -11.219
  101    HE1  TRP  11           1HE      TRP  11   3.895   7.877 -12.131
  102    HE3  TRP  11           3HE      TRP  11   4.323   8.723  -6.872
  103    HZ2  TRP  11           2HZ      TRP  11   2.092   9.911 -11.143
  104    HZ3  TRP  11           3HZ      TRP  11   2.452  10.342  -6.878
  105    HH2  TRP  11           HH       TRP  11   1.329  10.951  -9.010
  106    H    CYS  12           H        CYS  12   6.828   8.445  -5.962
  107    HA   CYS  12           HA       CYS  12   6.104  11.155  -6.517
  108    HB2  CYS  12           1HB      CYS  12   7.091   9.806  -3.967
  109    HB3  CYS  12           2HB      CYS  12   6.462  11.453  -4.031
  110    HG   CYS  12           HG       CYS  12   4.960   8.604  -4.708
  111    H    GLY  13           H        GLY  13   9.251   9.860  -5.357
  112    HA2  GLY  13           1HA      GLY  13  10.587  12.360  -5.146
  113    HA3  GLY  13           2HA      GLY  13  11.363  10.767  -5.290
  114    H    LYS  14           H        LYS  14  10.097  10.319  -8.003
  115    HA   LYS  14           HA       LYS  14  12.010  11.817  -9.671
  116    HB2  LYS  14           1HB      LYS  14   9.868   9.726 -10.240
  117    HB3  LYS  14           2HB      LYS  14  10.837  10.461 -11.510
  118    HG2  LYS  14           1HG      LYS  14  12.038   8.912  -9.175
  119    HG3  LYS  14           2HG      LYS  14  11.626   8.212 -10.742
  120    HD2  LYS  14           1HD      LYS  14  13.200   9.797 -11.854
  121    HD3  LYS  14           2HD      LYS  14  13.664  10.432 -10.258
  122    HE2  LYS  14           1HE      LYS  14  14.391   8.163  -9.563
  123    HE3  LYS  14           2HE      LYS  14  13.927   7.524 -11.145
  124    HZ1  LYS  14           3HZ      LYS  14  16.298   8.000 -11.047
  125    HZ2  LYS  14           1HZ      LYS  14  15.599   8.979 -12.151
  126    HZ3  LYS  14           2HZ      LYS  14  16.030   9.570 -10.688
  127    H    ARG  15           H        ARG  15   8.973  12.508  -8.457
  128    HA   ARG  15           HA       ARG  15   8.317  14.490 -10.598
  129    HB2  ARG  15           1HB      ARG  15   6.514  12.952  -8.693
  130    HB3  ARG  15           2HB      ARG  15   5.972  14.188  -9.841
  131    HG2  ARG  15           1HG      ARG  15   6.786  12.778 -11.730
  132    HG3  ARG  15           2HG      ARG  15   7.313  11.552 -10.598
  133    HD2  ARG  15           1HD      ARG  15   5.220  10.854 -11.476
  134    HD3  ARG  15           2HD      ARG  15   4.975  11.290  -9.789
  135    HE   ARG  15           HE       ARG  15   4.047  13.475 -10.590
  136   HH11  ARG  15          1HH1      ARG  15   3.899  10.769 -12.934
  137   HH12  ARG  15          2HH1      ARG  15   2.457  11.478 -13.655
  138   HH21  ARG  15          1HH2      ARG  15   2.216  14.222 -11.715
  139   HH22  ARG  15          2HH2      ARG  15   1.601  13.225 -13.031
  140    H    LYS  16           H        LYS  16   9.863  14.535  -7.792
  141    HA   LYS  16           HA       LYS  16  10.285  15.998  -6.127
  142    HB2  LYS  16           1HB      LYS  16   8.770  18.029  -7.819
  143    HB3  LYS  16           2HB      LYS  16   9.864  18.381  -6.484
  144    HG2  LYS  16           1HG      LYS  16  11.737  17.317  -7.715
  145    HG3  LYS  16           2HG      LYS  16  10.661  17.025  -9.096
  146    HD2  LYS  16           1HD      LYS  16  10.225  19.462  -9.272
  147    HD3  LYS  16           2HD      LYS  16  11.344  19.771  -7.941
  148    HE2  LYS  16           1HE      LYS  16  12.089  18.415 -10.579
  149    HE3  LYS  16           2HE      LYS  16  12.292  20.138 -10.253
  150    HZ1  LYS  16           3HZ      LYS  16  14.345  18.951  -9.851
  151    HZ2  LYS  16           1HZ      LYS  16  13.804  19.561  -8.438
  152    HZ3  LYS  16           2HZ      LYS  16  13.647  17.963  -8.758
  153    H    MET  17           H        MET  17   8.005  14.313  -5.818
  154    HA   MET  17           HA       MET  17   6.348  15.827  -3.822
  155    HB2  MET  17           1HB      MET  17   5.610  13.412  -5.532
  156    HB3  MET  17           2HB      MET  17   4.579  14.138  -4.298
  157    HG2  MET  17           1HG      MET  17   4.680  16.306  -5.584
  158    HG3  MET  17           2HG      MET  17   5.491  15.438  -6.883
  159    HE1  MET  17           3HE      MET  17   2.707  12.876  -8.020
  160    HE2  MET  17           1HE      MET  17   4.410  13.341  -8.131
  161    HE3  MET  17           2HE      MET  17   3.799  12.539  -6.670
  162    H    THR  18           H        THR  18   5.391  14.266  -2.186
  163    HA   THR  18           HA       THR  18   7.050  11.915  -1.479
  164    HB   THR  18           HB       THR  18   6.377  14.070   0.564
  165    HG1  THR  18           1HG      THR  18   8.782  13.509  -0.842
  166   HG21  THR  18          3HG2      THR  18   8.020  12.853   1.965
  167   HG22  THR  18          1HG2      THR  18   6.650  11.822   1.542
  168   HG23  THR  18          2HG2      THR  18   8.203  11.624   0.696
  169    HA   PRO  19           HA       PRO  19   2.756  10.698  -0.707
  170    HB2  PRO  19           1HB      PRO  19   3.069   8.114   0.058
  171    HB3  PRO  19           2HB      PRO  19   3.397   8.642  -1.621
  172    HG2  PRO  19           1HG      PRO  19   5.396   8.253   0.630
  173    HG3  PRO  19           2HG      PRO  19   5.485   7.630  -1.048
  174    HD2  PRO  19           1HD      PRO  19   6.736   9.937  -0.226
  175    HD3  PRO  19           2HD      PRO  19   6.099   9.739  -1.880
  176    H    ALA  20           H        ALA  20   1.367  10.332   1.061
  177    HA   ALA  20           HA       ALA  20   2.572  10.554   3.798
  178    HB1  ALA  20           1HB      ALA  20   1.739  12.737   3.039
  179    HB2  ALA  20           2HB      ALA  20   0.153  12.020   2.665
  180    HB3  ALA  20           3HB      ALA  20   0.727  12.087   4.347
  181    H    TYR  21           H        TYR  21   2.117   8.854   4.946
  182    HA   TYR  21           HA       TYR  21  -0.237   7.139   4.356
  183    HB2  TYR  21           1HB      TYR  21   2.338   6.622   5.891
  184    HB3  TYR  21           2HB      TYR  21   1.020   5.477   5.758
  185    HD1  TYR  21           2HD      TYR  21   3.637   7.269   3.778
  186    HD2  TYR  21           1HD      TYR  21   0.765   4.055   3.859
  187    HE1  TYR  21           2HE      TYR  21   4.630   6.329   1.704
  188    HE2  TYR  21           1HE      TYR  21   1.779   3.093   1.800
  189    HH   TYR  21           HH       TYR  21   4.550   4.655   0.132
  190    H    GLU  22           H        GLU  22  -1.506   6.266   6.061
  191    HA   GLU  22           HA       GLU  22  -1.223   7.314   8.804
  192    HB2  GLU  22           1HB      GLU  22  -2.771   8.878   7.646
  193    HB3  GLU  22           2HB      GLU  22  -3.799   7.523   7.182
  194    HG2  GLU  22           1HG      GLU  22  -4.726   8.743   9.089
  195    HG3  GLU  22           2HG      GLU  22  -4.346   7.090   9.541
  196    H    ILE  23           H        ILE  23  -2.252   5.931  10.388
  197    HA   ILE  23           HA       ILE  23  -2.892   3.165   9.436
  198    HB   ILE  23           HB       ILE  23  -0.618   3.971  11.290
  199   HG12  ILE  23          1HG1      ILE  23  -0.704   2.478   8.632
  200   HG13  ILE  23          2HG1      ILE  23  -0.063   4.099   8.908
  201   HG21  ILE  23          1HG2      ILE  23  -1.727   2.013  12.296
  202   HG22  ILE  23          2HG2      ILE  23  -1.630   1.145  10.742
  203   HG23  ILE  23          3HG2      ILE  23  -0.168   1.574  11.656
  204   HD11  ILE  23          3HD1      ILE  23   1.809   2.710   8.708
  205   HD12  ILE  23          1HD1      ILE  23   1.673   3.057  10.442
  206   HD13  ILE  23          2HD1      ILE  23   1.144   1.480   9.788
  207    H    ARG  24           H        ARG  24  -4.058   1.893  10.771
  208    HA   ARG  24           HA       ARG  24  -5.013   2.906  13.410
  209    HB2  ARG  24           1HB      ARG  24  -6.708   3.414  11.633
  210    HB3  ARG  24           2HB      ARG  24  -6.738   1.697  11.214
  211    HG2  ARG  24           1HG      ARG  24  -7.569   1.152  13.489
  212    HG3  ARG  24           2HG      ARG  24  -7.553   2.877  13.904
  213    HD2  ARG  24           1HD      ARG  24  -9.225   3.315  12.151
  214    HD3  ARG  24           2HD      ARG  24  -9.164   1.612  11.646
  215    HE   ARG  24           HE       ARG  24  -9.772   1.743  14.429
  216   HH11  ARG  24          1HH1      ARG  24 -11.365   2.383  11.336
  217   HH12  ARG  24          2HH1      ARG  24 -12.949   2.065  11.981
  218   HH21  ARG  24          1HH2      ARG  24 -11.839   1.354  15.200
  219   HH22  ARG  24          2HH2      ARG  24 -13.209   1.491  14.140
  220    H    ALA  25           H        ALA  25  -5.257   1.297  14.934
  221    HA   ALA  25           HA       ALA  25  -4.422  -1.484  14.234
  222    HB1  ALA  25           1HB      ALA  25  -3.207  -0.321  16.066
  223    HB2  ALA  25           2HB      ALA  25  -4.736  -0.151  16.957
  224    HB3  ALA  25           3HB      ALA  25  -4.070  -1.767  16.626
  225    H    VAL  26           H        VAL  26  -5.764  -3.210  14.487
  226    HA   VAL  26           HA       VAL  26  -8.534  -2.917  15.507
  227    HB   VAL  26           HB       VAL  26  -9.510  -3.824  13.438
  228   HG11  VAL  26          1HG1      VAL  26  -9.502  -1.364  13.828
  229   HG12  VAL  26          2HG1      VAL  26  -8.048  -1.239  12.806
  230   HG13  VAL  26          3HG1      VAL  26  -9.573  -1.825  12.123
  231   HG21  VAL  26          3HG2      VAL  26  -8.297  -3.840  11.311
  232   HG22  VAL  26          1HG2      VAL  26  -6.797  -3.347  12.123
  233   HG23  VAL  26          2HG2      VAL  26  -7.527  -4.932  12.459
  234    H    GLY  27           H        GLY  27  -9.707  -5.161  15.124
  235    HA2  GLY  27           1HA      GLY  27  -9.691  -7.504  15.101
  236    HA3  GLY  27           2HA      GLY  27  -7.920  -7.503  15.084
  237    H    ASN  28           H        ASN  28  -7.963  -9.190  16.587
  238    HA   ASN  28           HA       ASN  28  -9.282  -8.884  19.185
  239    HB2  ASN  28           1HB      ASN  28  -9.355 -10.977  17.875
  240    HB3  ASN  28           2HB      ASN  28  -7.602 -11.119  17.975
  241   HD21  ASN  28          2HD2      ASN  28 -10.645 -11.463  19.767
  242   HD22  ASN  28          1HD2      ASN  28  -9.912 -12.231  21.165
  243    H    LYS  29           H        LYS  29  -8.243  -8.935  21.236
  244    HA   LYS  29           HA       LYS  29  -5.889  -7.371  21.519
  245    HB2  LYS  29           1HB      LYS  29  -7.728  -7.523  23.138
  246    HB3  LYS  29           2HB      LYS  29  -7.318  -9.209  23.493
  247    HG2  LYS  29           1HG      LYS  29  -5.205  -8.556  24.499
  248    HG3  LYS  29           2HG      LYS  29  -5.358  -6.914  23.875
  249    HD2  LYS  29           1HD      LYS  29  -5.856  -6.932  26.263
  250    HD3  LYS  29           2HD      LYS  29  -7.278  -6.482  25.334
  251    HE2  LYS  29           1HE      LYS  29  -8.011  -7.940  27.072
  252    HE3  LYS  29           2HE      LYS  29  -8.147  -8.831  25.559
  253    HZ1  LYS  29           3HZ      LYS  29  -7.151 -10.172  27.324
  254    HZ2  LYS  29           1HZ      LYS  29  -6.056  -9.963  26.132
  255    HZ3  LYS  29           2HZ      LYS  29  -5.932  -9.108  27.523
  256    H    ASN  30           H        ASN  30  -6.234 -10.903  21.530
  257    HA   ASN  30           HA       ASN  30  -3.379 -11.344  22.135
  258    HB2  ASN  30           1HB      ASN  30  -5.158 -12.753  23.118
  259    HB3  ASN  30           2HB      ASN  30  -5.642 -13.281  21.505
  260   HD21  ASN  30          2HD2      ASN  30  -2.926 -13.359  23.867
  261   HD22  ASN  30          1HD2      ASN  30  -2.213 -14.819  23.206
  262    H    ARG  31           H        ARG  31  -5.401 -11.125  19.289
  263    HA   ARG  31           HA       ARG  31  -3.043 -11.633  17.546
  264    HB2  ARG  31           1HB      ARG  31  -4.474 -13.658  17.609
  265    HB3  ARG  31           2HB      ARG  31  -5.827 -12.718  16.974
  266    HG2  ARG  31           1HG      ARG  31  -4.522 -12.210  14.924
  267    HG3  ARG  31           2HG      ARG  31  -3.125 -13.078  15.572
  268    HD2  ARG  31           1HD      ARG  31  -5.848 -14.333  15.022
  269    HD3  ARG  31           2HD      ARG  31  -4.480 -14.364  13.896
  270    HE   ARG  31           HE       ARG  31  -3.484 -15.380  16.300
  271   HH11  ARG  31          1HH1      ARG  31  -5.950 -16.394  13.973
  272   HH12  ARG  31          2HH1      ARG  31  -5.747 -18.077  14.356
  273   HH21  ARG  31          1HH2      ARG  31  -3.283 -17.564  16.755
  274   HH22  ARG  31          2HH2      ARG  31  -4.255 -18.727  15.906
  275    H    GLN  32           H        GLN  32  -2.777  -9.421  17.517
  276    HA   GLN  32           HA       GLN  32  -4.929  -7.614  16.728
  277    HB2  GLN  32           1HB      GLN  32  -3.219  -7.121  18.478
  278    HB3  GLN  32           2HB      GLN  32  -1.968  -7.085  17.227
  279    HG2  GLN  32           1HG      GLN  32  -3.013  -5.119  16.190
  280    HG3  GLN  32           2HG      GLN  32  -4.410  -5.259  17.264
  281   HE21  GLN  32          2HE2      GLN  32  -4.326  -3.529  18.713
  282   HE22  GLN  32          1HE2      GLN  32  -2.855  -3.027  19.531
  283    H    LYS  33           H        LYS  33  -4.914  -6.208  14.959
  284    HA   LYS  33           HA       LYS  33  -3.238  -6.839  12.582
  285    HB2  LYS  33           1HB      LYS  33  -6.280  -6.836  12.792
  286    HB3  LYS  33           2HB      LYS  33  -5.436  -6.603  11.261
  287    HG2  LYS  33           1HG      LYS  33  -4.304  -8.804  11.556
  288    HG3  LYS  33           2HG      LYS  33  -5.219  -9.058  13.057
  289    HD2  LYS  33           1HD      LYS  33  -7.345  -8.912  11.788
  290    HD3  LYS  33           2HD      LYS  33  -6.428  -8.661  10.284
  291    HE2  LYS  33           1HE      LYS  33  -5.316 -10.866  10.599
  292    HE3  LYS  33           2HE      LYS  33  -6.227 -11.115  12.096
  293    HZ1  LYS  33           3HZ      LYS  33  -7.278 -12.236  10.219
  294    HZ2  LYS  33           1HZ      LYS  33  -8.275 -11.069  10.778
  295    HZ3  LYS  33           2HZ      LYS  33  -7.433 -10.836   9.395
  296    H    PHE  34           H        PHE  34  -3.488  -5.166  10.893
  297    HA   PHE  34           HA       PHE  34  -4.027  -2.446  11.984
  298    HB2  PHE  34           1HB      PHE  34  -1.505  -3.325  10.531
  299    HB3  PHE  34           2HB      PHE  34  -1.894  -1.680  11.022
  300    HD1  PHE  34           2HD      PHE  34  -2.072  -1.104  13.483
  301    HD2  PHE  34           1HD      PHE  34  -0.611  -4.918  12.114
  302    HE1  PHE  34           2HE      PHE  34  -1.119  -1.555  15.737
  303    HE2  PHE  34           1HE      PHE  34   0.358  -5.357  14.356
  304    HZ   PHE  34           HZ       PHE  34   0.101  -3.677  16.173
  305    H    MET  35           H        MET  35  -4.717  -0.972  10.601
  306    HA   MET  35           HA       MET  35  -5.123  -1.655   7.715
  307    HB2  MET  35           1HB      MET  35  -6.805   0.275   9.355
  308    HB3  MET  35           2HB      MET  35  -7.067  -0.258   7.695
  309    HG2  MET  35           1HG      MET  35  -7.343  -2.633   8.651
  310    HG3  MET  35           2HG      MET  35  -7.324  -1.882  10.243
  311    HE1  MET  35           3HE      MET  35 -10.674  -1.563   7.088
  312    HE2  MET  35           1HE      MET  35  -9.048  -0.935   6.757
  313    HE3  MET  35           2HE      MET  35  -9.292  -2.676   7.043
  314    H    CYS  36           H        CYS  36  -4.804   0.106   6.252
  315    HA   CYS  36           HA       CYS  36  -3.425   2.503   7.267
  316    HB2  CYS  36           1HB      CYS  36  -1.680   0.746   7.040
  317    HB3  CYS  36           2HB      CYS  36  -2.155   0.509   5.342
  318    HG   CYS  36           HG       CYS  36  -1.297   3.426   6.684
  319    H    GLU  37           H        GLU  37  -3.403   4.213   5.906
  320    HA   GLU  37           HA       GLU  37  -4.723   4.000   3.252
  321    HB2  GLU  37           1HB      GLU  37  -5.143   6.282   5.227
  322    HB3  GLU  37           2HB      GLU  37  -5.820   6.116   3.615
  323    HG2  GLU  37           1HG      GLU  37  -7.631   5.472   4.839
  324    HG3  GLU  37           2HG      GLU  37  -6.900   3.896   4.564
  325    H    VAL  38           H        VAL  38  -3.820   5.396   1.673
  326    HA   VAL  38           HA       VAL  38  -1.635   7.224   2.508
  327    HB   VAL  38           HB       VAL  38  -0.627   5.031   1.866
  328   HG11  VAL  38          1HG1      VAL  38  -2.201   4.450   0.008
  329   HG12  VAL  38          2HG1      VAL  38  -1.453   5.731  -0.972
  330   HG13  VAL  38          3HG1      VAL  38  -0.488   4.346  -0.441
  331   HG21  VAL  38          3HG2      VAL  38   1.149   5.979   0.446
  332   HG22  VAL  38          1HG2      VAL  38   0.141   7.366   0.045
  333   HG23  VAL  38          2HG2      VAL  38   0.693   7.122   1.718
  334    H    ARG  39           H        ARG  39  -1.290   8.978   1.313
  335    HA   ARG  39           HA       ARG  39  -2.928   9.540  -1.115
  336    HB2  ARG  39           1HB      ARG  39  -2.639  11.379   1.306
  337    HB3  ARG  39           2HB      ARG  39  -3.463  11.773  -0.206
  338    HG2  ARG  39           1HG      ARG  39  -5.091   9.912   0.240
  339    HG3  ARG  39           2HG      ARG  39  -4.317   9.661   1.819
  340    HD2  ARG  39           1HD      ARG  39  -4.803  12.060   2.382
  341    HD3  ARG  39           2HD      ARG  39  -5.684  12.198   0.846
  342    HE   ARG  39           HE       ARG  39  -6.597   9.980   2.492
  343   HH11  ARG  39          1HH1      ARG  39  -6.996  13.474   2.098
  344   HH12  ARG  39          2HH1      ARG  39  -8.576  13.465   2.823
  345   HH21  ARG  39          1HH2      ARG  39  -8.644  10.041   3.409
  346   HH22  ARG  39          2HH2      ARG  39  -9.489  11.551   3.556
  347    H    VAL  40           H        VAL  40  -2.145  11.509  -2.223
  348    HA   VAL  40           HA       VAL  40   0.654  12.359  -1.710
  349    HB   VAL  40           HB       VAL  40  -0.335  11.472  -4.456
  350   HG11  VAL  40          1HG1      VAL  40   1.201  13.378  -4.661
  351   HG12  VAL  40          2HG1      VAL  40   2.369  12.592  -3.573
  352   HG13  VAL  40          3HG1      VAL  40   2.021  11.907  -5.173
  353   HG21  VAL  40          3HG2      VAL  40   1.435   9.741  -4.350
  354   HG22  VAL  40          1HG2      VAL  40   1.830  10.234  -2.694
  355   HG23  VAL  40          2HG2      VAL  40   0.256   9.500  -3.059
  356    H    GLU  41           H        GLU  41   0.940  14.527  -2.111
  357    HA   GLU  41           HA       GLU  41  -1.305  16.231  -2.113
  358    HB2  GLU  41           1HB      GLU  41   0.939  16.762  -1.202
  359    HB3  GLU  41           2HB      GLU  41   1.574  16.907  -2.848
  360    HG2  GLU  41           1HG      GLU  41   0.028  18.790  -3.287
  361    HG3  GLU  41           2HG      GLU  41  -0.699  18.588  -1.690
  362    H    GLY  42           H        GLY  42  -2.548  17.111  -3.646
  363    HA2  GLY  42           1HA      GLY  42  -3.112  18.046  -5.735
  364    HA3  GLY  42           2HA      GLY  42  -1.696  17.279  -6.490
  365    H    PHE  43           H        PHE  43  -3.165  14.880  -4.694
  366    HA   PHE  43           HA       PHE  43  -5.023  14.048  -6.894
  367    HB2  PHE  43           1HB      PHE  43  -3.212  12.311  -5.180
  368    HB3  PHE  43           2HB      PHE  43  -4.364  11.737  -6.372
  369    HD1  PHE  43           1HD      PHE  43  -1.099  13.391  -5.865
  370    HD2  PHE  43           2HD      PHE  43  -3.925  11.995  -8.806
  371    HE1  PHE  43           1HE      PHE  43   0.616  13.631  -7.627
  372    HE2  PHE  43           2HE      PHE  43  -2.195  12.223 -10.570
  373    HZ   PHE  43           HZ       PHE  43   0.081  13.037  -9.989
  374    H    ASN  44           H        ASN  44  -7.050  13.622  -6.312
  375    HA   ASN  44           HA       ASN  44  -7.895  14.137  -3.586
  376    HB2  ASN  44           1HB      ASN  44  -9.050  14.987  -5.605
  377    HB3  ASN  44           2HB      ASN  44  -9.460  13.334  -6.072
  378   HD21  ASN  44          2HD2      ASN  44  -9.938  15.782  -3.458
  379   HD22  ASN  44          1HD2      ASN  44 -11.497  15.146  -2.962
  380    H    TYR  45           H        TYR  45  -7.224  11.203  -5.340
  381    HA   TYR  45           HA       TYR  45  -8.968   9.422  -3.900
  382    HB2  TYR  45           1HB      TYR  45  -7.978   9.076  -6.172
  383    HB3  TYR  45           2HB      TYR  45  -6.407   8.826  -5.418
  384    HD1  TYR  45           2HD      TYR  45  -9.920   7.539  -5.551
  385    HD2  TYR  45           1HD      TYR  45  -5.799   6.622  -4.673
  386    HE1  TYR  45           2HE      TYR  45 -10.501   5.133  -5.359
  387    HE2  TYR  45           1HE      TYR  45  -6.380   4.209  -4.469
  388    HH   TYR  45           HH       TYR  45  -9.734   3.014  -4.934
  389    H    ALA  46           H        ALA  46  -8.353   7.710  -2.475
  390    HA   ALA  46           HA       ALA  46  -5.780   7.948  -1.023
  391    HB1  ALA  46           1HB      ALA  46  -7.488   9.098   0.361
  392    HB2  ALA  46           2HB      ALA  46  -8.503   7.644   0.326
  393    HB3  ALA  46           3HB      ALA  46  -6.917   7.598   1.131
  394    H    GLY  47           H        GLY  47  -4.764   6.093  -1.306
  395    HA2  GLY  47           1HA      GLY  47  -6.177   3.597  -2.045
  396    HA3  GLY  47           2HA      GLY  47  -4.418   3.834  -1.984
  397    H    MET  48           H        MET  48  -6.257   1.771  -0.754
  398    HA   MET  48           HA       MET  48  -5.444   2.093   2.106
  399    HB2  MET  48           1HB      MET  48  -8.189   1.220   1.130
  400    HB3  MET  48           2HB      MET  48  -7.651   1.391   2.805
  401    HG2  MET  48           1HG      MET  48  -7.212   3.853   2.295
  402    HG3  MET  48           2HG      MET  48  -8.030   3.597   0.754
  403    HE1  MET  48           3HE      MET  48 -10.627   5.733   2.625
  404    HE2  MET  48           1HE      MET  48  -8.857   5.871   2.675
  405    HE3  MET  48           2HE      MET  48  -9.677   5.503   1.141
  406    H    GLY  49           H        GLY  49  -5.071   0.326   3.299
  407    HA2  GLY  49           1HA      GLY  49  -5.217  -2.412   2.128
  408    HA3  GLY  49           2HA      GLY  49  -3.647  -1.757   2.601
  409    H    ASN  50           H        ASN  50  -4.494  -4.064   3.742
  410    HA   ASN  50           HA       ASN  50  -4.261  -3.346   6.512
  411    HB2  ASN  50           1HB      ASN  50  -6.221  -4.450   7.401
  412    HB3  ASN  50           2HB      ASN  50  -6.728  -3.185   6.294
  413   HD21  ASN  50          2HD2      ASN  50  -7.812  -3.793   4.314
  414   HD22  ASN  50          1HD2      ASN  50  -8.346  -5.444   4.056
  415    H    SER  51           H        SER  51  -3.659  -5.106   7.896
  416    HA   SER  51           HA       SER  51  -3.234  -7.798   6.938
  417    HB2  SER  51           1HB      SER  51  -1.531  -6.425   5.586
  418    HB3  SER  51           2HB      SER  51  -0.701  -6.129   7.116
  419    HG   SER  51           HG       SER  51  -0.255  -8.090   5.614
  420    H    THR  52           H        THR  52  -1.251  -8.748   8.429
  421    HA   THR  52           HA       THR  52  -2.039  -8.376  11.247
  422    HB   THR  52           HB       THR  52  -0.332 -10.185  11.616
  423    HG1  THR  52           1HG      THR  52   0.411 -11.204   9.682
  424   HG21  THR  52          3HG2      THR  52  -1.648 -11.976  10.584
  425   HG22  THR  52          1HG2      THR  52  -2.718 -10.736  11.254
  426   HG23  THR  52          2HG2      THR  52  -2.441 -10.816   9.498
  427    H    ASN  53           H        ASN  53   0.168  -6.849   9.199
  428    HA   ASN  53           HA       ASN  53   1.704  -5.728  11.488
  429    HB2  ASN  53           1HB      ASN  53   2.868  -6.964   8.960
  430    HB3  ASN  53           2HB      ASN  53   3.774  -5.921  10.046
  431   HD21  ASN  53          2HD2      ASN  53   2.304  -9.155   9.743
  432   HD22  ASN  53          1HD2      ASN  53   3.155  -9.812  11.125
  433    H    LYS  54           H        LYS  54   2.401  -3.655  11.227
  434    HA   LYS  54           HA       LYS  54   0.913  -1.873   9.572
  435    HB2  LYS  54           1HB      LYS  54   3.512  -1.510  11.133
  436    HB3  LYS  54           2HB      LYS  54   2.610  -0.188  10.395
  437    HG2  LYS  54           1HG      LYS  54   0.620  -0.767  11.788
  438    HG3  LYS  54           2HG      LYS  54   1.570  -2.038  12.586
  439    HD2  LYS  54           1HD      LYS  54   3.212  -0.333  13.345
  440    HD3  LYS  54           2HD      LYS  54   2.245   0.940  12.569
  441    HE2  LYS  54           1HE      LYS  54   0.311   0.348  14.020
  442    HE3  LYS  54           2HE      LYS  54   1.273  -0.925  14.783
  443    HZ1  LYS  54           3HZ      LYS  54   1.279   1.103  16.113
  444    HZ2  LYS  54           1HZ      LYS  54   2.795   0.794  15.590
  445    HZ3  LYS  54           2HZ      LYS  54   1.909   1.976  14.885
  446    H    LYS  55           H        LYS  55   4.057  -3.370   8.989
  447    HA   LYS  55           HA       LYS  55   4.905  -1.684   6.798
  448    HB2  LYS  55           1HB      LYS  55   5.608  -4.550   7.587
  449    HB3  LYS  55           2HB      LYS  55   6.451  -3.609   6.355
  450    HG2  LYS  55           1HG      LYS  55   7.170  -1.959   8.024
  451    HG3  LYS  55           2HG      LYS  55   6.219  -2.766   9.284
  452    HD2  LYS  55           1HD      LYS  55   7.591  -4.829   8.979
  453    HD3  LYS  55           2HD      LYS  55   8.608  -3.955   7.811
  454    HE2  LYS  55           1HE      LYS  55   9.220  -2.309   9.541
  455    HE3  LYS  55           2HE      LYS  55   8.126  -3.077  10.701
  456    HZ1  LYS  55           3HZ      LYS  55  10.433  -3.787  11.014
  457    HZ2  LYS  55           1HZ      LYS  55   9.506  -5.069  10.599
  458    HZ3  LYS  55           2HZ      LYS  55  10.496  -4.386   9.489
  459    H    ASP  56           H        ASP  56   3.245  -4.853   6.853
  460    HA   ASP  56           HA       ASP  56   2.965  -4.950   3.965
  461    HB2  ASP  56           1HB      ASP  56   3.193  -6.919   5.509
  462    HB3  ASP  56           2HB      ASP  56   1.564  -6.600   6.087
  463    H    ALA  57           H        ALA  57   0.925  -3.791   6.628
  464    HA   ALA  57           HA       ALA  57  -1.457  -3.339   5.063
  465    HB1  ALA  57           1HB      ALA  57  -1.394  -3.325   7.553
  466    HB2  ALA  57           2HB      ALA  57  -0.439  -1.823   7.516
  467    HB3  ALA  57           3HB      ALA  57  -2.102  -1.839   6.896
  468    H    GLN  58           H        GLN  58   1.352  -1.182   5.757
  469    HA   GLN  58           HA       GLN  58   0.559   0.981   4.029
  470    HB2  GLN  58           1HB      GLN  58   3.258  -0.038   5.000
  471    HB3  GLN  58           2HB      GLN  58   3.102   1.350   3.929
  472    HG2  GLN  58           1HG      GLN  58   1.888   2.626   5.558
  473    HG3  GLN  58           2HG      GLN  58   1.698   1.228   6.621
  474   HE21  GLN  58          2HE2      GLN  58   3.559   0.459   7.796
  475   HE22  GLN  58          1HE2      GLN  58   4.974   1.498   8.011
  476    H    SER  59           H        SER  59   2.410  -2.026   3.333
  477    HA   SER  59           HA       SER  59   3.020  -1.346   0.617
  478    HB2  SER  59           1HB      SER  59   2.621  -4.094   1.860
  479    HB3  SER  59           2HB      SER  59   3.401  -3.751   0.311
  480    HG   SER  59           HG       SER  59   4.291  -2.912   2.902
  481    H    ASN  60           H        ASN  60   0.126  -2.889   2.028
  482    HA   ASN  60           HA       ASN  60  -1.144  -3.346  -0.563
  483    HB2  ASN  60           1HB      ASN  60  -2.079  -3.466   2.315
  484    HB3  ASN  60           2HB      ASN  60  -3.226  -3.545   0.974
  485   HD21  ASN  60          2HD2      ASN  60  -0.718  -5.323   2.683
  486   HD22  ASN  60          1HD2      ASN  60  -0.998  -6.831   1.837
  487    H    ALA  61           H        ALA  61  -1.259  -0.676   1.849
  488    HA   ALA  61           HA       ALA  61  -3.242   0.887   0.471
  489    HB1  ALA  61           1HB      ALA  61  -2.495   1.248   2.837
  490    HB2  ALA  61           2HB      ALA  61  -0.928   1.829   2.227
  491    HB3  ALA  61           3HB      ALA  61  -2.413   2.723   1.857
  492    H    ALA  62           H        ALA  62   0.336   0.846   0.207
  493    HA   ALA  62           HA       ALA  62   0.566   2.809  -1.838
  494    HB1  ALA  62           1HB      ALA  62   2.419   1.977  -0.421
  495    HB2  ALA  62           2HB      ALA  62   2.330   0.395  -1.220
  496    HB3  ALA  62           3HB      ALA  62   2.806   1.833  -2.149
  497    H    ARG  63           H        ARG  63   0.362  -0.784  -2.139
  498    HA   ARG  63           HA       ARG  63   0.333  -0.999  -4.929
  499    HB2  ARG  63           1HB      ARG  63   0.412  -2.902  -3.315
  500    HB3  ARG  63           2HB      ARG  63  -1.260  -2.597  -2.880
  501    HG2  ARG  63           1HG      ARG  63  -1.210  -4.471  -4.338
  502    HG3  ARG  63           2HG      ARG  63  -1.962  -3.143  -5.214
  503    HD2  ARG  63           1HD      ARG  63   0.198  -2.751  -6.423
  504    HD3  ARG  63           2HD      ARG  63   0.916  -4.105  -5.520
  505    HE   ARG  63           HE       ARG  63  -1.522  -4.908  -6.821
  506   HH11  ARG  63          1HH1      ARG  63   1.929  -4.426  -7.551
  507   HH12  ARG  63          2HH1      ARG  63   1.846  -5.459  -8.937
  508   HH21  ARG  63          1HH2      ARG  63  -1.520  -6.228  -8.616
  509   HH22  ARG  63          2HH2      ARG  63  -0.060  -6.474  -9.521
  510    H    ASP  64           H        ASP  64  -2.469  -0.321  -2.787
  511    HA   ASP  64           HA       ASP  64  -4.386  -0.264  -4.920
  512    HB2  ASP  64           1HB      ASP  64  -4.810  -0.751  -2.508
  513    HB3  ASP  64           2HB      ASP  64  -4.536   0.953  -2.144
  514    H    PHE  65           H        PHE  65  -2.475   2.367  -3.382
  515    HA   PHE  65           HA       PHE  65  -3.768   4.457  -4.934
  516    HB2  PHE  65           1HB      PHE  65  -2.611   4.791  -2.734
  517    HB3  PHE  65           2HB      PHE  65  -1.071   4.563  -3.545
  518    HD1  PHE  65           1HD      PHE  65  -3.968   6.802  -3.064
  519    HD2  PHE  65           2HD      PHE  65  -0.258   6.278  -5.185
  520    HE1  PHE  65           1HE      PHE  65  -4.036   9.178  -3.766
  521    HE2  PHE  65           2HE      PHE  65  -0.318   8.670  -5.856
  522    HZ   PHE  65           HZ       PHE  65  -2.214  10.109  -5.178
  523    H    VAL  66           H        VAL  66  -0.763   2.543  -5.386
  524    HA   VAL  66           HA       VAL  66   0.060   3.842  -7.819
  525    HB   VAL  66           HB       VAL  66   0.518   1.011  -6.813
  526   HG11  VAL  66          1HG1      VAL  66   0.801   0.869  -9.224
  527   HG12  VAL  66          2HG1      VAL  66   1.711   2.396  -9.254
  528   HG13  VAL  66          3HG1      VAL  66   2.406   0.953  -8.490
  529   HG21  VAL  66          3HG2      VAL  66   2.707   1.840  -6.211
  530   HG22  VAL  66          1HG2      VAL  66   2.402   3.400  -7.020
  531   HG23  VAL  66          2HG2      VAL  66   1.517   2.966  -5.551
  532    H    ASN  67           H        ASN  67  -2.123   1.077  -7.233
  533    HA   ASN  67           HA       ASN  67  -2.875   0.714  -9.987
  534    HB2  ASN  67           1HB      ASN  67  -4.111  -0.078  -7.360
  535    HB3  ASN  67           2HB      ASN  67  -5.094  -0.157  -8.819
  536   HD21  ASN  67          2HD2      ASN  67  -2.095  -1.404  -7.344
  537   HD22  ASN  67          1HD2      ASN  67  -1.953  -2.778  -8.445
  538    H    TYR  68           H        TYR  68  -4.050   3.161  -7.632
  539    HA   TYR  68           HA       TYR  68  -6.094   4.208  -9.446
  540    HB2  TYR  68           1HB      TYR  68  -6.459   4.844  -7.296
  541    HB3  TYR  68           2HB      TYR  68  -4.779   5.155  -6.929
  542    HD1  TYR  68           1HD      TYR  68  -7.725   6.499  -8.807
  543    HD2  TYR  68           2HD      TYR  68  -3.824   7.321  -7.155
  544    HE1  TYR  68           1HE      TYR  68  -8.063   8.927  -9.219
  545    HE2  TYR  68           2HE      TYR  68  -4.151   9.741  -7.578
  546    HH   TYR  68           HH       TYR  68  -7.193  11.043  -8.988
  547    H    LEU  69           H        LEU  69  -2.648   5.095  -8.857
  548    HA   LEU  69           HA       LEU  69  -2.523   7.121 -10.855
  549    HB2  LEU  69           1HB      LEU  69  -0.338   5.270  -9.857
  550    HB3  LEU  69           2HB      LEU  69  -0.104   6.725 -10.825
  551    HG   LEU  69           HG       LEU  69  -1.315   6.760  -8.037
  552   HD11  LEU  69          1HD1      LEU  69   0.984   5.953  -7.945
  553   HD12  LEU  69          2HD1      LEU  69   1.523   7.262  -9.008
  554   HD13  LEU  69          3HD1      LEU  69   0.940   7.624  -7.375
  555   HD21  LEU  69          3HD2      LEU  69  -0.775   9.200  -8.186
  556   HD22  LEU  69          1HD2      LEU  69  -0.356   8.976  -9.896
  557   HD23  LEU  69          2HD2      LEU  69  -2.018   8.695  -9.332
  558    H    VAL  70           H        VAL  70  -2.102   3.606 -11.230
  559    HA   VAL  70           HA       VAL  70  -1.601   3.686 -14.069
  560    HB   VAL  70           HB       VAL  70  -2.812   1.502 -12.342
  561   HG11  VAL  70          1HG1      VAL  70  -3.563   1.083 -14.645
  562   HG12  VAL  70          2HG1      VAL  70  -1.911   1.337 -15.256
  563   HG13  VAL  70          3HG1      VAL  70  -2.291  -0.059 -14.218
  564   HG21  VAL  70          3HG2      VAL  70  -0.619   0.452 -12.523
  565   HG22  VAL  70          1HG2      VAL  70  -0.039   1.756 -13.583
  566   HG23  VAL  70          2HG2      VAL  70  -0.426   2.088 -11.888
  567    H    ARG  71           H        ARG  71  -4.662   3.374 -12.223
  568    HA   ARG  71           HA       ARG  71  -6.399   3.231 -14.483
  569    HB2  ARG  71           1HB      ARG  71  -6.839   4.050 -11.599
  570    HB3  ARG  71           2HB      ARG  71  -8.142   4.114 -12.781
  571    HG2  ARG  71           1HG      ARG  71  -7.983   1.766 -13.264
  572    HG3  ARG  71           2HG      ARG  71  -6.547   1.567 -12.266
  573    HD2  ARG  71           1HD      ARG  71  -9.249   2.488 -11.192
  574    HD3  ARG  71           2HD      ARG  71  -8.730   0.794 -11.233
  575    HE   ARG  71           HE       ARG  71  -6.659   2.042  -9.944
  576   HH11  ARG  71          1HH1      ARG  71 -10.121   1.784  -9.267
  577   HH12  ARG  71          2HH1      ARG  71  -9.899   1.914  -7.548
  578   HH21  ARG  71          1HH2      ARG  71  -6.454   2.245  -7.648
  579   HH22  ARG  71          2HH2      ARG  71  -7.874   2.175  -6.666
  580    H    ILE  72           H        ILE  72  -4.878   6.064 -13.060
  581    HA   ILE  72           HA       ILE  72  -6.313   7.799 -15.045
  582    HB   ILE  72           HB       ILE  72  -5.589   9.708 -13.821
  583   HG12  ILE  72          1HG1      ILE  72  -4.331   7.975 -11.683
  584   HG13  ILE  72          2HG1      ILE  72  -3.370   8.644 -12.996
  585   HG21  ILE  72          1HG2      ILE  72  -7.665   8.496 -13.149
  586   HG22  ILE  72          2HG2      ILE  72  -6.746   7.654 -11.884
  587   HG23  ILE  72          3HG2      ILE  72  -6.946   9.416 -11.822
  588   HD11  ILE  72          3HD1      ILE  72  -3.214  10.054 -11.027
  589   HD12  ILE  72          1HD1      ILE  72  -4.041  10.932 -12.329
  590   HD13  ILE  72          2HD1      ILE  72  -4.972  10.255 -10.975
  591    H    ASN  73           H        ASN  73  -3.736   5.927 -15.305
  592    HA   ASN  73           HA       ASN  73  -2.048   5.770 -16.718
  593    HB2  ASN  73           1HB      ASN  73  -3.880   6.624 -18.251
  594    HB3  ASN  73           2HB      ASN  73  -3.125   8.214 -18.160
  595   HD21  ASN  73          2HD2      ASN  73  -2.454   8.372 -20.329
  596   HD22  ASN  73          1HD2      ASN  73  -1.298   7.261 -21.045
  597    H    GLU  74           H        GLU  74  -1.686   7.573 -14.342
  598    HA   GLU  74           HA       GLU  74   0.642   9.238 -15.157
  599    HB2  GLU  74           1HB      GLU  74  -0.819   8.893 -12.515
  600    HB3  GLU  74           2HB      GLU  74   0.626   9.875 -12.721
  601    HG2  GLU  74           1HG      GLU  74  -2.016  10.333 -14.151
  602    HG3  GLU  74           2HG      GLU  74  -1.397  11.250 -12.780
  603    H    VAL  75           H        VAL  75   0.100   6.047 -14.290
  604    HA   VAL  75           HA       VAL  75   3.029   5.575 -14.040
  605    HB   VAL  75           HB       VAL  75   0.864   4.213 -12.361
  606   HG11  VAL  75          1HG1      VAL  75   2.450   2.482 -13.129
  607   HG12  VAL  75          2HG1      VAL  75   3.824   3.526 -12.654
  608   HG13  VAL  75          3HG1      VAL  75   2.735   2.836 -11.431
  609   HG21  VAL  75          3HG2      VAL  75   2.055   4.948 -10.421
  610   HG22  VAL  75          1HG2      VAL  75   3.439   5.473 -11.386
  611   HG23  VAL  75          2HG2      VAL  75   1.926   6.386 -11.451
  612    H    LYS  76           H        LYS  76   3.693   3.966 -15.441
  613    HA   LYS  76           HA       LYS  76   1.675   2.578 -17.125
  614    HB2  LYS  76           1HB      LYS  76   4.716   2.417 -17.146
  615    HB3  LYS  76           2HB      LYS  76   3.625   1.659 -18.304
  616    HG2  LYS  76           1HG      LYS  76   2.784   3.898 -18.997
  617    HG3  LYS  76           2HG      LYS  76   3.932   4.669 -17.884
  618    HD2  LYS  76           1HD      LYS  76   5.818   3.581 -19.083
  619    HD3  LYS  76           2HD      LYS  76   4.686   2.870 -20.238
  620    HE2  LYS  76           1HE      LYS  76   5.050   5.868 -19.749
  621    HE3  LYS  76           2HE      LYS  76   5.855   4.961 -21.032
  622    HZ1  LYS  76           3HZ      LYS  76   3.875   6.038 -21.870
  623    HZ2  LYS  76           1HZ      LYS  76   3.668   4.421 -21.948
  624    HZ3  LYS  76           2HZ      LYS  76   2.917   5.289 -20.779
  625    H    SER  77           H        SER  77   0.938   0.552 -16.658
  626    HA   SER  77           HA       SER  77   1.405  -0.720 -14.184
  627    HB2  SER  77           1HB      SER  77   0.253  -2.667 -15.240
  628    HB3  SER  77           2HB      SER  77  -0.597  -1.124 -15.415
  629    HG   SER  77           HG       SER  77  -0.520  -2.326 -17.403
  630    H    GLU  78           H        GLU  78   3.088  -1.214 -17.262
  631    HA   GLU  78           HA       GLU  78   4.443  -3.621 -16.698
  632    HB2  GLU  78           1HB      GLU  78   5.371  -1.262 -18.388
  633    HB3  GLU  78           2HB      GLU  78   6.032  -2.902 -18.447
  634    HG2  GLU  78           1HG      GLU  78   3.761  -3.753 -19.102
  635    HG3  GLU  78           2HG      GLU  78   3.189  -2.086 -19.184
  636    H    GLU  79           H        GLU  79   5.057  -0.466 -15.331
  637    HA   GLU  79           HA       GLU  79   7.797  -1.135 -14.439
  638    HB2  GLU  79           1HB      GLU  79   5.999   1.274 -13.947
  639    HB3  GLU  79           2HB      GLU  79   7.656   1.120 -13.402
  640    HG2  GLU  79           1HG      GLU  79   6.748   1.160 -16.315
  641    HG3  GLU  79           2HG      GLU  79   7.456   2.507 -15.436
  642    H    VAL  80           H        VAL  80   4.614  -1.646 -13.253
  643    HA   VAL  80           HA       VAL  80   5.110  -0.971 -10.478
  644    HB   VAL  80           HB       VAL  80   2.756  -2.453 -11.700
  645   HG11  VAL  80          1HG1      VAL  80   2.867  -2.920  -9.302
  646   HG12  VAL  80          2HG1      VAL  80   3.130  -1.204  -8.946
  647   HG13  VAL  80          3HG1      VAL  80   1.573  -1.758  -9.603
  648   HG21  VAL  80          3HG2      VAL  80   1.602  -0.274 -11.509
  649   HG22  VAL  80          1HG2      VAL  80   3.104   0.477 -10.925
  650   HG23  VAL  80          2HG2      VAL  80   2.997  -0.145 -12.582
  651    HA   PRO  81           HA       PRO  81   6.739  -5.107  -9.559
  652    HB2  PRO  81           1HB      PRO  81   7.595  -4.730  -7.016
  653    HB3  PRO  81           2HB      PRO  81   8.399  -3.940  -8.410
  654    HG2  PRO  81           1HG      PRO  81   6.302  -2.766  -6.560
  655    HG3  PRO  81           2HG      PRO  81   7.872  -2.052  -7.053
  656    HD2  PRO  81           1HD      PRO  81   5.497  -1.432  -8.292
  657    HD3  PRO  81           2HD      PRO  81   7.048  -1.486  -9.177
  658    H    ALA  82           H        ALA  82   6.166  -6.924  -8.330
  659    HA   ALA  82           HA       ALA  82   3.681  -6.790  -6.681
  660    HB1  ALA  82           1HB      ALA  82   3.229  -7.693  -8.959
  661    HB2  ALA  82           2HB      ALA  82   4.475  -8.934  -8.708
  662    HB3  ALA  82           3HB      ALA  82   3.004  -8.931  -7.712
  663    H    VAL  83           H        VAL  83   3.446  -8.699  -5.221
  664    HA   VAL  83           HA       VAL  83   5.595  -8.928  -3.503
  665    HB   VAL  83           HB       VAL  83   3.009  -9.209  -3.263
  666   HG11  VAL  83          1HG1      VAL  83   2.796 -11.300  -4.596
  667   HG12  VAL  83          2HG1      VAL  83   3.714 -12.167  -3.343
  668   HG13  VAL  83          3HG1      VAL  83   2.151 -11.432  -2.952
  669   HG21  VAL  83          3HG2      VAL  83   3.283 -10.163  -1.066
  670   HG22  VAL  83          1HG2      VAL  83   4.913 -10.747  -1.489
  671   HG23  VAL  83          2HG2      VAL  83   4.563  -8.998  -1.452
  672    H    GLY  84           H        GLY  84   5.212 -10.773  -6.354
  673    HA2  GLY  84           1HA      GLY  84   7.575 -12.369  -5.827
  674    HA3  GLY  84           2HA      GLY  84   6.110 -13.334  -5.963
  675    H    ILE  85           H        ILE  85   7.839 -13.967  -7.796
  676    HA   ILE  85           HA       ILE  85   7.530 -12.454 -10.273
  677    HB   ILE  85           HB       ILE  85   8.967 -14.543 -10.984
  678   HG12  ILE  85          1HG1      ILE  85  10.576 -15.330  -9.362
  679   HG13  ILE  85          2HG1      ILE  85   9.732 -14.525  -8.051
  680   HG21  ILE  85          1HG2      ILE  85   9.690 -12.192 -11.004
  681   HG22  ILE  85          2HG2      ILE  85  10.072 -12.289  -9.271
  682   HG23  ILE  85          3HG2      ILE  85  10.996 -13.245 -10.449
  683   HD11  ILE  85          3HD1      ILE  85   9.314 -16.971  -8.148
  684   HD12  ILE  85          1HD1      ILE  85   7.813 -16.058  -8.325
  685   HD13  ILE  85          2HD1      ILE  85   8.587 -16.789  -9.753
  686    H    VAL  86           H        VAL  86   6.864 -13.505 -12.217
  687    HA   VAL  86           HA       VAL  86   5.453 -14.582 -13.571
  688    HB   VAL  86           HB       VAL  86   5.331 -16.890 -11.595
  689   HG11  VAL  86          1HG1      VAL  86   3.763 -17.023 -13.527
  690   HG12  VAL  86          2HG1      VAL  86   5.117 -16.744 -14.640
  691   HG13  VAL  86          3HG1      VAL  86   5.055 -18.222 -13.657
  692   HG21  VAL  86          3HG2      VAL  86   7.291 -17.802 -12.823
  693   HG22  VAL  86          1HG2      VAL  86   7.476 -16.243 -13.659
  694   HG23  VAL  86          2HG2      VAL  86   7.690 -16.357 -11.897
  695    HA   PRO  87           HA       PRO  87   1.754 -13.006 -11.305
  696    HB2  PRO  87           1HB      PRO  87   1.228 -11.953 -14.085
  697    HB3  PRO  87           2HB      PRO  87   0.981 -11.143 -12.508
  698    HG2  PRO  87           1HG      PRO  87   3.124 -10.517 -14.039
  699    HG3  PRO  87           2HG      PRO  87   3.326 -10.737 -12.267
  700    HD2  PRO  87           1HD      PRO  87   3.888 -12.735 -14.482
  701    HD3  PRO  87           2HD      PRO  87   4.912 -12.271 -13.091
  702    HA   PRO  88           HA       PRO  88  -0.970 -16.229 -12.825
  703    HB2  PRO  88           1HB      PRO  88  -3.433 -15.404 -11.926
  704    HB3  PRO  88           2HB      PRO  88  -2.152 -16.060 -10.862
  705    HG2  PRO  88           1HG      PRO  88  -2.807 -13.151 -11.407
  706    HG3  PRO  88           2HG      PRO  88  -2.530 -13.945  -9.826
  707    HD2  PRO  88           1HD      PRO  88  -0.574 -12.556 -11.121
  708    HD3  PRO  88           2HD      PRO  88  -0.198 -14.034 -10.184
  709    HA   PRO  89           HA       PRO  89  -1.970 -14.418 -16.721
  710    HB2  PRO  89           1HB      PRO  89  -3.094 -16.509 -18.083
  711    HB3  PRO  89           2HB      PRO  89  -1.374 -16.467 -17.592
  712    HG2  PRO  89           1HG      PRO  89  -3.688 -17.793 -16.134
  713    HG3  PRO  89           2HG      PRO  89  -2.104 -18.512 -16.576
  714    HD2  PRO  89           1HD      PRO  89  -2.547 -17.487 -14.100
  715    HD3  PRO  89           2HD      PRO  89  -0.971 -17.262 -14.917
  716    H    SER  90           H        SER  90  -4.598 -15.478 -14.696
  717    HA   SER  90           HA       SER  90  -6.555 -13.866 -16.315
  718    HB2  SER  90           1HB      SER  90  -7.080 -16.120 -14.347
  719    HB3  SER  90           2HB      SER  90  -8.310 -15.185 -15.207
  720    HG   SER  90           HG       SER  90  -6.288 -16.772 -16.459
  721    H    GLY  91           H        GLY  91  -4.539 -13.365 -13.816
  722    HA2  GLY  91           1HA      GLY  91  -4.504 -11.776 -12.119
  723    HA3  GLY  91           2HA      GLY  91  -6.170 -11.326 -12.513
  724    HA   PRO  92           HA       PRO  92  -6.310 -13.742  -8.493
  725    HB2  PRO  92           1HB      PRO  92  -6.756 -11.740  -6.714
  726    HB3  PRO  92           2HB      PRO  92  -5.105 -12.163  -7.265
  727    HG2  PRO  92           1HG      PRO  92  -6.905  -9.950  -8.309
  728    HG3  PRO  92           2HG      PRO  92  -5.187  -9.832  -7.809
  729    HD2  PRO  92           1HD      PRO  92  -5.946 -10.153 -10.423
  730    HD3  PRO  92           2HD      PRO  92  -4.445 -10.881  -9.777
  731    H    SER  93           H        SER  93  -8.304 -14.083  -7.260
  732    HA   SER  93           HA       SER  93 -10.720 -12.580  -7.854
  733    HB2  SER  93           1HB      SER  93 -11.950 -14.385  -8.927
  734    HB3  SER  93           2HB      SER  93 -10.564 -13.908  -9.910
  735    HG   SER  93           HG       SER  93 -10.765 -16.194  -9.778
  736    H    SER  94           H        SER  94 -12.599 -13.326  -6.645
  737    HA   SER  94           HA       SER  94 -11.808 -14.308  -4.010
  738    HB2  SER  94           1HB      SER  94 -14.516 -13.376  -5.016
  739    HB3  SER  94           2HB      SER  94 -14.012 -13.558  -3.329
  740    HG   SER  94           HG       SER  94 -13.872 -11.369  -4.047
  741    H    GLY  95           H        GLY  95 -12.858 -16.007  -6.707
  742    HA2  GLY  95           1HA      GLY  95 -13.301 -18.495  -5.402
  743    HA3  GLY  95           2HA      GLY  95 -14.875 -17.767  -5.721
  Start of MODEL    4
    1    H1   GLY  -3           1H       GLY  -3  17.739  -9.429  16.204
    2    H2   GLY  -3           2H       GLY  -3  18.223  -7.867  16.264
    3    H3   GLY  -3           3H       GLY  -3  17.438  -8.531  17.542
    4    HA2  GLY  -3           1HA      GLY  -3  15.425  -8.789  16.250
    5    HA3  GLY  -3           2HA      GLY  -3  15.941  -7.095  16.339
    6    H    SER  -2           H        SER  -2  14.263  -8.336  14.301
    7    HA   SER  -2           HA       SER  -2  15.529  -7.378  11.877
    8    HB2  SER  -2           1HB      SER  -2  15.441  -9.526  10.655
    9    HB3  SER  -2           2HB      SER  -2  16.640  -9.539  11.948
   10    HG   SER  -2           HG       SER  -2  15.386 -11.474  11.908
   11    H    SER  -1           H        SER  -1  14.038  -7.679   9.946
   12    HA   SER  -1           HA       SER  -1  11.216  -8.211  10.424
   13    HB2  SER  -1           1HB      SER  -1  10.479  -5.878   9.975
   14    HB3  SER  -1           2HB      SER  -1  11.299  -6.068  11.522
   15    HG   SER  -1           HG       SER  -1  12.440  -4.992   9.123
   16    H    GLY   0           H        GLY   0   9.908  -7.990   8.523
   17    HA2  GLY   0           1HA      GLY   0  11.350  -8.376   5.965
   18    HA3  GLY   0           2HA      GLY   0   9.620  -8.611   6.279
   19    H    SER   1           H        SER   1   9.806  -7.501   4.073
   20    HA   SER   1           HA       SER   1   8.718  -4.860   4.257
   21    HB2  SER   1           1HB      SER   1  11.266  -4.433   4.474
   22    HB3  SER   1           2HB      SER   1  11.365  -4.939   2.783
   23    HG   SER   1           HG       SER   1  11.088  -2.668   2.966
   24    H    SER   2           H        SER   2   8.802  -3.937   1.756
   25    HA   SER   2           HA       SER   2   8.610  -6.000  -0.285
   26    HB2  SER   2           1HB      SER   2   6.389  -6.235   0.818
   27    HB3  SER   2           2HB      SER   2   6.057  -4.532   0.447
   28    HG   SER   2           HG       SER   2   5.252  -6.133  -1.127
   29    H    GLY   3           H        GLY   3   8.659  -5.170  -2.369
   30    HA2  GLY   3           1HA      GLY   3   9.989  -2.629  -2.581
   31    HA3  GLY   3           2HA      GLY   3   9.564  -3.723  -3.918
   32    H    ILE   4           H        ILE   4   6.611  -3.405  -2.885
   33    HA   ILE   4           HA       ILE   4   5.947  -1.276  -4.736
   34    HB   ILE   4           HB       ILE   4   4.564  -3.303  -4.411
   35   HG12  ILE   4          1HG1      ILE   4   2.350  -2.214  -4.373
   36   HG13  ILE   4          2HG1      ILE   4   3.070  -0.692  -3.885
   37   HG21  ILE   4          1HG2      ILE   4   4.730  -3.478  -1.924
   38   HG22  ILE   4          2HG2      ILE   4   3.679  -2.055  -1.775
   39   HG23  ILE   4          3HG2      ILE   4   3.065  -3.545  -2.509
   40   HD11  ILE   4          3HD1      ILE   4   2.565  -0.814  -6.318
   41   HD12  ILE   4          1HD1      ILE   4   4.296  -0.584  -6.040
   42   HD13  ILE   4          2HD1      ILE   4   3.664  -2.192  -6.481
   43    H    LYS   5           H        LYS   5   6.195  -1.365  -1.212
   44    HA   LYS   5           HA       LYS   5   5.000   1.236  -0.775
   45    HB2  LYS   5           1HB      LYS   5   5.549  -0.852   0.799
   46    HB3  LYS   5           2HB      LYS   5   7.052  -0.004   1.089
   47    HG2  LYS   5           1HG      LYS   5   4.252   1.181   1.452
   48    HG3  LYS   5           2HG      LYS   5   5.119   0.346   2.724
   49    HD2  LYS   5           1HD      LYS   5   6.016   2.930   1.385
   50    HD3  LYS   5           2HD      LYS   5   5.231   2.804   2.947
   51    HE2  LYS   5           1HE      LYS   5   7.974   1.658   2.253
   52    HE3  LYS   5           2HE      LYS   5   7.664   3.158   3.127
   53    HZ1  LYS   5           3HZ      LYS   5   8.086   1.445   4.709
   54    HZ2  LYS   5           1HZ      LYS   5   6.491   1.801   4.834
   55    HZ3  LYS   5           2HZ      LYS   5   6.964   0.438   4.066
   56    H    ASN   6           H        ASN   6   8.312   0.108  -1.371
   57    HA   ASN   6           HA       ASN   6   9.534   2.742  -1.301
   58    HB2  ASN   6           1HB      ASN   6  10.773   0.623  -0.904
   59    HB3  ASN   6           2HB      ASN   6  10.471   0.142  -2.575
   60   HD21  ASN   6          2HD2      ASN   6  12.264   0.485  -3.865
   61   HD22  ASN   6          1HD2      ASN   6  13.384   1.820  -3.662
   62    H    PHE   7           H        PHE   7   7.940   0.816  -3.864
   63    HA   PHE   7           HA       PHE   7   8.875   2.337  -6.090
   64    HB2  PHE   7           1HB      PHE   7   7.905   0.111  -6.328
   65    HB3  PHE   7           2HB      PHE   7   6.361   0.682  -5.711
   66    HD1  PHE   7           2HD      PHE   7   8.755   1.040  -8.562
   67    HD2  PHE   7           1HD      PHE   7   4.742   1.690  -7.129
   68    HE1  PHE   7           2HE      PHE   7   8.027   1.637 -10.856
   69    HE2  PHE   7           1HE      PHE   7   4.017   2.283  -9.421
   70    HZ   PHE   7           HZ       PHE   7   5.656   2.250 -11.297
   71    H    LEU   8           H        LEU   8   5.861   2.693  -4.115
   72    HA   LEU   8           HA       LEU   8   4.920   4.989  -5.543
   73    HB2  LEU   8           1HB      LEU   8   3.551   3.609  -3.983
   74    HB3  LEU   8           2HB      LEU   8   4.509   4.212  -2.622
   75    HG   LEU   8           HG       LEU   8   3.691   6.483  -2.955
   76   HD11  LEU   8          1HD1      LEU   8   3.415   6.594  -5.401
   77   HD12  LEU   8          2HD1      LEU   8   2.102   5.397  -5.326
   78   HD13  LEU   8          3HD1      LEU   8   1.907   7.009  -4.600
   79   HD21  LEU   8          3HD2      LEU   8   1.326   6.134  -2.387
   80   HD22  LEU   8          1HD2      LEU   8   1.399   4.480  -3.035
   81   HD23  LEU   8          2HD2      LEU   8   2.337   4.917  -1.592
   82    H    TYR   9           H        TYR   9   7.060   4.729  -2.679
   83    HA   TYR   9           HA       TYR   9   7.391   7.516  -2.267
   84    HB2  TYR   9           1HB      TYR   9   7.954   5.686  -0.670
   85    HB3  TYR   9           2HB      TYR   9   9.334   5.252  -1.665
   86    HD1  TYR   9           2HD      TYR   9   7.943   7.730   0.687
   87    HD2  TYR   9           1HD      TYR   9  11.347   6.681  -1.743
   88    HE1  TYR   9           2HE      TYR   9   9.310   9.428   1.881
   89    HE2  TYR   9           1HE      TYR   9  12.722   8.379  -0.551
   90    HH   TYR   9           HH       TYR   9  11.377  10.426   2.077
   91    H    ALA  10           H        ALA  10   9.342   5.262  -4.262
   92    HA   ALA  10           HA       ALA  10  11.234   7.220  -5.188
   93    HB1  ALA  10           1HB      ALA  10  11.648   4.783  -5.194
   94    HB2  ALA  10           2HB      ALA  10  10.357   4.555  -6.397
   95    HB3  ALA  10           3HB      ALA  10  11.823   5.464  -6.823
   96    H    TRP  11           H        TRP  11   8.130   6.063  -6.598
   97    HA   TRP  11           HA       TRP  11   8.206   7.604  -8.997
   98    HB2  TRP  11           1HB      TRP  11   6.638   5.777  -8.600
   99    HB3  TRP  11           2HB      TRP  11   5.899   6.635  -7.268
  100    HD1  TRP  11           HD       TRP  11   5.927   6.539 -11.073
  101    HE1  TRP  11           1HE      TRP  11   3.935   7.893 -11.966
  102    HE3  TRP  11           3HE      TRP  11   4.330   8.632  -6.687
  103    HZ2  TRP  11           2HZ      TRP  11   2.109   9.887 -10.945
  104    HZ3  TRP  11           3HZ      TRP  11   2.438  10.228  -6.669
  105    HH2  TRP  11           HH       TRP  11   1.320  10.870  -8.794
  106    H    CYS  12           H        CYS  12   6.831   8.387  -5.786
  107    HA   CYS  12           HA       CYS  12   6.082  11.096  -6.306
  108    HB2  CYS  12           1HB      CYS  12   7.066   9.721  -3.766
  109    HB3  CYS  12           2HB      CYS  12   6.425  11.363  -3.813
  110    HG   CYS  12           HG       CYS  12   4.948   8.516  -4.544
  111    H    GLY  13           H        GLY  13   9.235   9.831  -5.126
  112    HA2  GLY  13           1HA      GLY  13  10.533  12.347  -4.886
  113    HA3  GLY  13           2HA      GLY  13  11.335  10.766  -5.034
  114    H    LYS  14           H        LYS  14  10.103  10.318  -7.760
  115    HA   LYS  14           HA       LYS  14  12.022  11.825  -9.406
  116    HB2  LYS  14           1HB      LYS  14   9.914   9.701  -9.962
  117    HB3  LYS  14           2HB      LYS  14  10.850  10.478 -11.246
  118    HG2  LYS  14           1HG      LYS  14  12.946   9.665 -10.353
  119    HG3  LYS  14           2HG      LYS  14  12.168   9.059  -8.895
  120    HD2  LYS  14           1HD      LYS  14  12.646   7.206 -10.359
  121    HD3  LYS  14           2HD      LYS  14  10.893   7.409 -10.234
  122    HE2  LYS  14           1HE      LYS  14  10.860   8.578 -12.423
  123    HE3  LYS  14           2HE      LYS  14  12.621   8.461 -12.526
  124    HZ1  LYS  14           3HZ      LYS  14  11.540   6.710 -13.803
  125    HZ2  LYS  14           1HZ      LYS  14  12.393   6.041 -12.583
  126    HZ3  LYS  14           2HZ      LYS  14  10.762   6.145 -12.482
  127    H    ARG  15           H        ARG  15   8.969  12.502  -8.214
  128    HA   ARG  15           HA       ARG  15   8.320  14.503 -10.338
  129    HB2  ARG  15           1HB      ARG  15   6.514  12.943  -8.452
  130    HB3  ARG  15           2HB      ARG  15   5.973  14.183  -9.596
  131    HG2  ARG  15           1HG      ARG  15   6.791  12.781 -11.489
  132    HG3  ARG  15           2HG      ARG  15   7.323  11.554 -10.362
  133    HD2  ARG  15           1HD      ARG  15   5.232  10.849 -11.241
  134    HD3  ARG  15           2HD      ARG  15   4.991  11.272  -9.550
  135    HE   ARG  15           HE       ARG  15   4.038  13.451 -10.321
  136   HH11  ARG  15          1HH1      ARG  15   3.936  10.793 -12.721
  137   HH12  ARG  15          2HH1      ARG  15   2.505  11.514 -13.454
  138   HH21  ARG  15          1HH2      ARG  15   2.221  14.213 -11.456
  139   HH22  ARG  15          2HH2      ARG  15   1.632  13.244 -12.804
  140    H    LYS  16           H        LYS  16   9.839  14.509  -7.510
  141    HA   LYS  16           HA       LYS  16  10.242  15.943  -5.818
  142    HB2  LYS  16           1HB      LYS  16   8.757  18.005  -7.499
  143    HB3  LYS  16           2HB      LYS  16   9.824  18.327  -6.134
  144    HG2  LYS  16           1HG      LYS  16  11.732  17.304  -7.357
  145    HG3  LYS  16           2HG      LYS  16  10.675  16.982  -8.735
  146    HD2  LYS  16           1HD      LYS  16  11.952  18.951  -9.210
  147    HD3  LYS  16           2HD      LYS  16  10.258  19.418  -8.995
  148    HE2  LYS  16           1HE      LYS  16  10.759  20.176  -6.679
  149    HE3  LYS  16           2HE      LYS  16  12.438  19.653  -6.863
  150    HZ1  LYS  16           3HZ      LYS  16  12.198  22.030  -7.262
  151    HZ2  LYS  16           1HZ      LYS  16  12.685  21.298  -8.637
  152    HZ3  LYS  16           2HZ      LYS  16  11.130  21.778  -8.471
  153    H    MET  17           H        MET  17   7.963  14.256  -5.557
  154    HA   MET  17           HA       MET  17   6.280  15.738  -3.558
  155    HB2  MET  17           1HB      MET  17   5.568  13.341  -5.305
  156    HB3  MET  17           2HB      MET  17   4.520  14.055  -4.078
  157    HG2  MET  17           1HG      MET  17   4.630  16.232  -5.342
  158    HG3  MET  17           2HG      MET  17   5.467  15.384  -6.637
  159    HE1  MET  17           3HE      MET  17   2.710  12.817  -7.841
  160    HE2  MET  17           1HE      MET  17   4.417  13.278  -7.905
  161    HE3  MET  17           2HE      MET  17   3.767  12.470  -6.464
  162    H    THR  18           H        THR  18   5.313  14.164  -1.955
  163    HA   THR  18           HA       THR  18   7.011  11.849  -1.197
  164    HB   THR  18           HB       THR  18   6.233  14.030   0.780
  165    HG1  THR  18           1HG      THR  18   8.435  14.535   0.745
  166   HG21  THR  18          3HG2      THR  18   7.830  12.844   2.271
  167   HG22  THR  18          1HG2      THR  18   6.489  11.793   1.813
  168   HG23  THR  18          2HG2      THR  18   8.072  11.598   1.027
  169    HA   PRO  19           HA       PRO  19   2.720  10.530  -0.452
  170    HB2  PRO  19           1HB      PRO  19   3.096   7.944   0.274
  171    HB3  PRO  19           2HB      PRO  19   3.400   8.500  -1.401
  172    HG2  PRO  19           1HG      PRO  19   5.424   8.119   0.827
  173    HG3  PRO  19           2HG      PRO  19   5.513   7.529  -0.861
  174    HD2  PRO  19           1HD      PRO  19   6.719   9.852  -0.002
  175    HD3  PRO  19           2HD      PRO  19   6.086   9.661  -1.659
  176    H    ALA  20           H        ALA  20   1.360  10.141   1.330
  177    HA   ALA  20           HA       ALA  20   2.590  10.331   4.058
  178    HB1  ALA  20           1HB      ALA  20   1.791  12.537   3.316
  179    HB2  ALA  20           2HB      ALA  20   0.191  11.850   2.949
  180    HB3  ALA  20           3HB      ALA  20   0.775  11.900   4.627
  181    H    TYR  21           H        TYR  21   2.093   8.650   5.226
  182    HA   TYR  21           HA       TYR  21  -0.279   6.967   4.613
  183    HB2  TYR  21           1HB      TYR  21   2.285   6.391   6.144
  184    HB3  TYR  21           2HB      TYR  21   0.961   5.260   5.957
  185    HD1  TYR  21           2HD      TYR  21   3.646   7.071   4.104
  186    HD2  TYR  21           1HD      TYR  21   0.694   3.931   3.981
  187    HE1  TYR  21           2HE      TYR  21   4.646   6.213   2.000
  188    HE2  TYR  21           1HE      TYR  21   1.708   3.056   1.884
  189    HH   TYR  21           HH       TYR  21   4.510   4.661   0.314
  190    H    GLU  22           H        GLU  22  -1.574   6.110   6.275
  191    HA   GLU  22           HA       GLU  22  -1.284   7.066   9.063
  192    HB2  GLU  22           1HB      GLU  22  -2.821   8.637   7.873
  193    HB3  GLU  22           2HB      GLU  22  -3.880   7.279   7.471
  194    HG2  GLU  22           1HG      GLU  22  -4.336   6.881   9.845
  195    HG3  GLU  22           2HG      GLU  22  -3.125   8.079  10.317
  196    H    ILE  23           H        ILE  23  -2.196   5.587  10.588
  197    HA   ILE  23           HA       ILE  23  -2.887   2.870   9.545
  198    HB   ILE  23           HB       ILE  23  -0.632   3.654  11.427
  199   HG12  ILE  23          1HG1      ILE  23  -0.711   2.100   8.801
  200   HG13  ILE  23          2HG1      ILE  23  -0.121   3.750   9.011
  201   HG21  ILE  23          1HG2      ILE  23  -1.765   1.699  12.440
  202   HG22  ILE  23          2HG2      ILE  23  -1.630   0.820  10.895
  203   HG23  ILE  23          3HG2      ILE  23  -0.191   1.275  11.832
  204   HD11  ILE  23          3HD1      ILE  23   1.781   2.352   8.844
  205   HD12  ILE  23          1HD1      ILE  23   1.672   2.853  10.543
  206   HD13  ILE  23          2HD1      ILE  23   1.162   1.217  10.042
  207    H    ARG  24           H        ARG  24  -4.049   1.545  10.886
  208    HA   ARG  24           HA       ARG  24  -5.135   2.596  13.451
  209    HB2  ARG  24           1HB      ARG  24  -6.570   3.307  11.515
  210    HB3  ARG  24           2HB      ARG  24  -6.838   1.600  11.147
  211    HG2  ARG  24           1HG      ARG  24  -7.890   1.309  13.400
  212    HG3  ARG  24           2HG      ARG  24  -7.683   3.045  13.689
  213    HD2  ARG  24           1HD      ARG  24  -9.348   1.750  11.477
  214    HD3  ARG  24           2HD      ARG  24  -9.969   2.499  12.941
  215    HE   ARG  24           HE       ARG  24  -9.354   4.662  12.156
  216   HH11  ARG  24          1HH1      ARG  24  -8.895   2.233   9.562
  217   HH12  ARG  24          2HH1      ARG  24  -8.669   3.529   8.386
  218   HH21  ARG  24          1HH2      ARG  24  -9.078   6.158  10.448
  219   HH22  ARG  24          2HH2      ARG  24  -8.782   5.519   8.834
  220    H    ALA  25           H        ALA  25  -5.482   1.016  14.903
  221    HA   ALA  25           HA       ALA  25  -4.709  -1.773  14.221
  222    HB1  ALA  25           1HB      ALA  25  -3.644  -0.637  16.154
  223    HB2  ALA  25           2HB      ALA  25  -5.237  -0.476  16.929
  224    HB3  ALA  25           3HB      ALA  25  -4.547  -2.087  16.633
  225    H    VAL  26           H        VAL  26  -6.064  -3.512  14.324
  226    HA   VAL  26           HA       VAL  26  -8.884  -3.241  15.209
  227    HB   VAL  26           HB       VAL  26  -9.733  -4.164  13.078
  228   HG11  VAL  26          1HG1      VAL  26  -9.837  -1.719  13.538
  229   HG12  VAL  26          2HG1      VAL  26  -8.341  -1.508  12.593
  230   HG13  VAL  26          3HG1      VAL  26  -9.808  -2.133  11.820
  231   HG21  VAL  26          3HG2      VAL  26  -8.416  -4.069  11.014
  232   HG22  VAL  26          1HG2      VAL  26  -6.976  -3.557  11.916
  233   HG23  VAL  26          2HG2      VAL  26  -7.671  -5.173  12.170
  234    H    GLY  27           H        GLY  27 -10.061  -5.375  14.985
  235    HA2  GLY  27           1HA      GLY  27 -10.196  -7.705  15.070
  236    HA3  GLY  27           2HA      GLY  27  -8.440  -7.820  14.858
  237    H    ASN  28           H        ASN  28  -8.648  -9.527  16.407
  238    HA   ASN  28           HA       ASN  28  -9.499  -9.160  19.119
  239    HB2  ASN  28           1HB      ASN  28  -9.484 -11.326  18.011
  240    HB3  ASN  28           2HB      ASN  28  -7.746 -11.223  17.737
  241   HD21  ASN  28          2HD2      ASN  28 -10.256 -11.802  20.199
  242   HD22  ASN  28          1HD2      ASN  28  -9.137 -12.423  21.400
  243    H    LYS  29           H        LYS  29  -8.325  -8.892  21.034
  244    HA   LYS  29           HA       LYS  29  -6.243  -7.015  21.042
  245    HB2  LYS  29           1HB      LYS  29  -7.864  -7.425  22.863
  246    HB3  LYS  29           2HB      LYS  29  -7.140  -9.000  23.178
  247    HG2  LYS  29           1HG      LYS  29  -6.435  -7.455  24.856
  248    HG3  LYS  29           2HG      LYS  29  -5.029  -7.898  23.897
  249    HD2  LYS  29           1HD      LYS  29  -5.193  -5.758  22.644
  250    HD3  LYS  29           2HD      LYS  29  -6.628  -5.305  23.569
  251    HE2  LYS  29           1HE      LYS  29  -3.864  -5.849  24.762
  252    HE3  LYS  29           2HE      LYS  29  -4.461  -4.246  24.324
  253    HZ1  LYS  29           3HZ      LYS  29  -4.804  -4.667  26.667
  254    HZ2  LYS  29           1HZ      LYS  29  -6.258  -4.533  25.938
  255    HZ3  LYS  29           2HZ      LYS  29  -5.690  -6.006  26.373
  256    H    ASN  30           H        ASN  30  -5.933 -10.560  21.363
  257    HA   ASN  30           HA       ASN  30  -2.986 -10.408  21.581
  258    HB2  ASN  30           1HB      ASN  30  -4.255 -12.020  22.934
  259    HB3  ASN  30           2HB      ASN  30  -4.901 -12.775  21.478
  260   HD21  ASN  30          2HD2      ASN  30  -2.060 -12.467  23.556
  261   HD22  ASN  30          1HD2      ASN  30  -1.112 -13.686  22.725
  262    H    ARG  31           H        ARG  31  -5.385 -11.756  19.265
  263    HA   ARG  31           HA       ARG  31  -3.324 -12.051  17.155
  264    HB2  ARG  31           1HB      ARG  31  -6.254 -12.862  17.219
  265    HB3  ARG  31           2HB      ARG  31  -5.136 -13.139  15.878
  266    HG2  ARG  31           1HG      ARG  31  -3.682 -14.505  17.388
  267    HG3  ARG  31           2HG      ARG  31  -4.826 -14.237  18.710
  268    HD2  ARG  31           1HD      ARG  31  -5.271 -16.401  17.811
  269    HD3  ARG  31           2HD      ARG  31  -6.615 -15.338  17.362
  270    HE   ARG  31           HE       ARG  31  -4.567 -15.429  15.311
  271   HH11  ARG  31          1HH1      ARG  31  -7.282 -17.338  16.538
  272   HH12  ARG  31          2HH1      ARG  31  -7.529 -18.135  15.013
  273   HH21  ARG  31          1HH2      ARG  31  -4.944 -16.488  13.370
  274   HH22  ARG  31          2HH2      ARG  31  -6.220 -17.662  13.250
  275    H    GLN  32           H        GLN  32  -3.094  -9.659  17.432
  276    HA   GLN  32           HA       GLN  32  -5.202  -7.910  16.471
  277    HB2  GLN  32           1HB      GLN  32  -3.612  -7.420  18.343
  278    HB3  GLN  32           2HB      GLN  32  -2.299  -7.287  17.166
  279    HG2  GLN  32           1HG      GLN  32  -3.372  -5.334  16.137
  280    HG3  GLN  32           2HG      GLN  32  -4.826  -5.578  17.111
  281   HE21  GLN  32          2HE2      GLN  32  -4.933  -3.949  18.667
  282   HE22  GLN  32          1HE2      GLN  32  -3.540  -3.387  19.577
  283    H    LYS  33           H        LYS  33  -5.151  -6.483  14.747
  284    HA   LYS  33           HA       LYS  33  -3.337  -7.019  12.444
  285    HB2  LYS  33           1HB      LYS  33  -6.385  -7.028  12.515
  286    HB3  LYS  33           2HB      LYS  33  -5.464  -6.795  11.028
  287    HG2  LYS  33           1HG      LYS  33  -4.361  -9.002  11.367
  288    HG3  LYS  33           2HG      LYS  33  -5.318  -9.246  12.842
  289    HD2  LYS  33           1HD      LYS  33  -7.407  -9.106  11.509
  290    HD3  LYS  33           2HD      LYS  33  -6.441  -8.891  10.030
  291    HE2  LYS  33           1HE      LYS  33  -5.350 -11.091  10.423
  292    HE3  LYS  33           2HE      LYS  33  -6.291 -11.301  11.905
  293    HZ1  LYS  33           3HZ      LYS  33  -7.305 -12.473  10.045
  294    HZ2  LYS  33           1HZ      LYS  33  -8.311 -11.290  10.545
  295    HZ3  LYS  33           2HZ      LYS  33  -7.440 -11.101   9.173
  296    H    PHE  34           H        PHE  34  -3.458  -5.303  10.817
  297    HA   PHE  34           HA       PHE  34  -4.065  -2.609  11.941
  298    HB2  PHE  34           1HB      PHE  34  -1.440  -3.510  10.696
  299    HB3  PHE  34           2HB      PHE  34  -1.860  -1.849  11.089
  300    HD1  PHE  34           1HD      PHE  34  -2.164  -1.134  13.475
  301    HD2  PHE  34           2HD      PHE  34  -0.740  -5.065  12.429
  302    HE1  PHE  34           1HE      PHE  34  -1.359  -1.468  15.806
  303    HE2  PHE  34           2HE      PHE  34   0.067  -5.394  14.753
  304    HZ   PHE  34           HZ       PHE  34  -0.245  -3.596  16.445
  305    H    MET  35           H        MET  35  -5.077  -1.368  10.620
  306    HA   MET  35           HA       MET  35  -5.221  -1.869   7.687
  307    HB2  MET  35           1HB      MET  35  -6.706   0.201   9.350
  308    HB3  MET  35           2HB      MET  35  -6.989  -0.231   7.665
  309    HG2  MET  35           1HG      MET  35  -7.620  -2.564   8.476
  310    HG3  MET  35           2HG      MET  35  -7.483  -1.946  10.119
  311    HE1  MET  35           3HE      MET  35 -10.758  -0.885   7.048
  312    HE2  MET  35           1HE      MET  35  -9.067  -0.443   6.748
  313    HE3  MET  35           2HE      MET  35  -9.528  -2.155   6.884
  314    H    CYS  36           H        CYS  36  -4.711  -0.133   6.255
  315    HA   CYS  36           HA       CYS  36  -3.354   2.239   7.347
  316    HB2  CYS  36           1HB      CYS  36  -1.590   0.501   7.047
  317    HB3  CYS  36           2HB      CYS  36  -2.033   0.385   5.328
  318    HG   CYS  36           HG       CYS  36  -1.261   3.211   6.906
  319    H    GLU  37           H        GLU  37  -3.316   3.979   6.011
  320    HA   GLU  37           HA       GLU  37  -4.819   3.904   3.442
  321    HB2  GLU  37           1HB      GLU  37  -5.216   5.864   5.746
  322    HB3  GLU  37           2HB      GLU  37  -5.926   6.018   4.133
  323    HG2  GLU  37           1HG      GLU  37  -7.208   3.937   4.470
  324    HG3  GLU  37           2HG      GLU  37  -6.448   3.691   6.040
  325    H    VAL  38           H        VAL  38  -3.913   5.286   1.891
  326    HA   VAL  38           HA       VAL  38  -1.724   7.119   2.737
  327    HB   VAL  38           HB       VAL  38  -0.744   4.915   2.090
  328   HG11  VAL  38          1HG1      VAL  38  -2.320   4.339   0.239
  329   HG12  VAL  38          2HG1      VAL  38  -1.583   5.626  -0.742
  330   HG13  VAL  38          3HG1      VAL  38  -0.612   4.240  -0.226
  331   HG21  VAL  38          3HG2      VAL  38   1.035   5.835   0.646
  332   HG22  VAL  38          1HG2      VAL  38   0.050   7.241   0.270
  333   HG23  VAL  38          2HG2      VAL  38   0.617   6.975   1.934
  334    H    ARG  39           H        ARG  39  -1.349   8.872   1.549
  335    HA   ARG  39           HA       ARG  39  -2.866   9.386  -0.956
  336    HB2  ARG  39           1HB      ARG  39  -2.804  11.229   1.481
  337    HB3  ARG  39           2HB      ARG  39  -3.388  11.684  -0.120
  338    HG2  ARG  39           1HG      ARG  39  -5.053   9.749   0.057
  339    HG3  ARG  39           2HG      ARG  39  -4.582   9.604   1.752
  340    HD2  ARG  39           1HD      ARG  39  -6.585  10.933   1.637
  341    HD3  ARG  39           2HD      ARG  39  -5.238  11.986   2.102
  342    HE   ARG  39           HE       ARG  39  -5.767  11.889  -0.785
  343   HH11  ARG  39          1HH1      ARG  39  -6.856  13.501   2.171
  344   HH12  ARG  39          2HH1      ARG  39  -7.261  14.968   1.333
  345   HH21  ARG  39          1HH2      ARG  39  -6.164  13.859  -1.778
  346   HH22  ARG  39          2HH2      ARG  39  -6.915  15.152  -0.879
  347    H    VAL  40           H        VAL  40  -2.068  11.342  -2.044
  348    HA   VAL  40           HA       VAL  40   0.729  12.178  -1.472
  349    HB   VAL  40           HB       VAL  40  -0.279  11.358  -4.233
  350   HG11  VAL  40          1HG1      VAL  40   1.273  13.251  -4.410
  351   HG12  VAL  40          2HG1      VAL  40   2.439  12.436  -3.341
  352   HG13  VAL  40          3HG1      VAL  40   2.076  11.782  -4.952
  353   HG21  VAL  40          3HG2      VAL  40   1.465   9.600  -4.161
  354   HG22  VAL  40          1HG2      VAL  40   1.882  10.067  -2.503
  355   HG23  VAL  40          2HG2      VAL  40   0.296   9.358  -2.862
  356    H    GLU  41           H        GLU  41   1.039  14.352  -1.848
  357    HA   GLU  41           HA       GLU  41  -1.178  16.071  -1.737
  358    HB2  GLU  41           1HB      GLU  41   1.107  16.562  -0.914
  359    HB3  GLU  41           2HB      GLU  41   1.670  16.746  -2.582
  360    HG2  GLU  41           1HG      GLU  41   0.120  18.651  -2.903
  361    HG3  GLU  41           2HG      GLU  41  -0.535  18.411  -1.280
  362    H    GLY  42           H        GLY  42  -2.495  16.969  -3.186
  363    HA2  GLY  42           1HA      GLY  42  -3.133  18.010  -5.198
  364    HA3  GLY  42           2HA      GLY  42  -1.745  17.289  -6.042
  365    H    PHE  43           H        PHE  43  -3.126  14.757  -4.374
  366    HA   PHE  43           HA       PHE  43  -5.007  14.056  -6.602
  367    HB2  PHE  43           1HB      PHE  43  -3.255  12.256  -4.896
  368    HB3  PHE  43           2HB      PHE  43  -4.407  11.710  -6.103
  369    HD1  PHE  43           2HD      PHE  43  -3.985  12.087  -8.542
  370    HD2  PHE  43           1HD      PHE  43  -1.104  13.245  -5.552
  371    HE1  PHE  43           2HE      PHE  43  -2.242  12.292 -10.296
  372    HE2  PHE  43           1HE      PHE  43   0.623  13.464  -7.303
  373    HZ   PHE  43           HZ       PHE  43   0.068  12.979  -9.684
  374    H    ASN  44           H        ASN  44  -7.064  13.769  -6.084
  375    HA   ASN  44           HA       ASN  44  -8.025  14.162  -3.403
  376    HB2  ASN  44           1HB      ASN  44  -9.139  14.976  -5.455
  377    HB3  ASN  44           2HB      ASN  44  -9.460  13.311  -5.951
  378   HD21  ASN  44          2HD2      ASN  44 -10.183  15.752  -3.398
  379   HD22  ASN  44          1HD2      ASN  44 -11.713  15.025  -2.943
  380    H    TYR  45           H        TYR  45  -7.263  11.262  -5.195
  381    HA   TYR  45           HA       TYR  45  -8.961   9.407  -3.826
  382    HB2  TYR  45           1HB      TYR  45  -7.906   9.134  -6.073
  383    HB3  TYR  45           2HB      TYR  45  -6.340   8.938  -5.291
  384    HD1  TYR  45           2HD      TYR  45  -9.786   7.503  -5.543
  385    HD2  TYR  45           1HD      TYR  45  -5.666   6.765  -4.510
  386    HE1  TYR  45           2HE      TYR  45 -10.283   5.080  -5.314
  387    HE2  TYR  45           1HE      TYR  45  -6.163   4.336  -4.265
  388    HH   TYR  45           HH       TYR  45  -9.444   2.998  -4.840
  389    H    ALA  46           H        ALA  46  -8.340   7.673  -2.430
  390    HA   ALA  46           HA       ALA  46  -5.818   7.901  -0.911
  391    HB1  ALA  46           1HB      ALA  46  -7.544   9.032   0.475
  392    HB2  ALA  46           2HB      ALA  46  -8.556   7.576   0.400
  393    HB3  ALA  46           3HB      ALA  46  -6.983   7.523   1.224
  394    H    GLY  47           H        GLY  47  -4.791   6.051  -1.074
  395    HA2  GLY  47           1HA      GLY  47  -6.139   3.549  -1.929
  396    HA3  GLY  47           2HA      GLY  47  -4.387   3.819  -1.793
  397    H    MET  48           H        MET  48  -6.201   1.688  -0.690
  398    HA   MET  48           HA       MET  48  -5.550   1.966   2.219
  399    HB2  MET  48           1HB      MET  48  -8.190   0.983   1.071
  400    HB3  MET  48           2HB      MET  48  -7.760   1.171   2.776
  401    HG2  MET  48           1HG      MET  48  -7.417   3.656   2.291
  402    HG3  MET  48           2HG      MET  48  -8.133   3.366   0.708
  403    HE1  MET  48           3HE      MET  48 -10.902   5.376   2.502
  404    HE2  MET  48           1HE      MET  48  -9.150   5.564   2.715
  405    HE3  MET  48           2HE      MET  48  -9.821   5.253   1.097
  406    H    GLY  49           H        GLY  49  -5.084   0.191   3.355
  407    HA2  GLY  49           1HA      GLY  49  -5.129  -2.527   2.123
  408    HA3  GLY  49           2HA      GLY  49  -3.591  -1.842   2.656
  409    H    ASN  50           H        ASN  50  -4.409  -4.199   3.720
  410    HA   ASN  50           HA       ASN  50  -4.330  -3.547   6.535
  411    HB2  ASN  50           1HB      ASN  50  -6.694  -3.493   6.383
  412    HB3  ASN  50           2HB      ASN  50  -6.746  -4.913   5.331
  413   HD21  ASN  50          2HD2      ASN  50  -6.817  -6.968   6.252
  414   HD22  ASN  50          1HD2      ASN  50  -6.887  -7.215   7.991
  415    H    SER  51           H        SER  51  -3.656  -5.243   7.822
  416    HA   SER  51           HA       SER  51  -3.096  -7.917   6.859
  417    HB2  SER  51           1HB      SER  51  -1.382  -6.475   5.601
  418    HB3  SER  51           2HB      SER  51  -0.610  -6.203   7.167
  419    HG   SER  51           HG       SER  51  -0.125  -8.146   5.610
  420    H    THR  52           H        THR  52  -1.158  -8.845   8.410
  421    HA   THR  52           HA       THR  52  -2.108  -8.629  11.187
  422    HB   THR  52           HB       THR  52  -0.336 -10.327  11.605
  423    HG1  THR  52           1HG      THR  52   0.743 -11.132   9.740
  424   HG21  THR  52          3HG2      THR  52  -1.360 -12.150  10.359
  425   HG22  THR  52          1HG2      THR  52  -2.618 -11.026  10.894
  426   HG23  THR  52          2HG2      THR  52  -2.083 -11.018   9.198
  427    H    ASN  53           H        ASN  53   0.081  -6.866   9.338
  428    HA   ASN  53           HA       ASN  53   1.470  -5.745  11.684
  429    HB2  ASN  53           1HB      ASN  53   3.666  -6.232  10.787
  430    HB3  ASN  53           2HB      ASN  53   2.778  -7.740  10.987
  431   HD21  ASN  53          2HD2      ASN  53   1.958  -8.838   9.010
  432   HD22  ASN  53          1HD2      ASN  53   2.676  -8.436   7.461
  433    H    LYS  54           H        LYS  54   2.473  -3.755  11.321
  434    HA   LYS  54           HA       LYS  54   1.033  -1.995   9.618
  435    HB2  LYS  54           1HB      LYS  54   3.627  -1.656  11.189
  436    HB3  LYS  54           2HB      LYS  54   2.749  -0.329  10.432
  437    HG2  LYS  54           1HG      LYS  54   0.727  -0.906  11.804
  438    HG3  LYS  54           2HG      LYS  54   1.661  -2.171  12.615
  439    HD2  LYS  54           1HD      LYS  54   3.282  -0.469  13.416
  440    HD3  LYS  54           2HD      LYS  54   2.323   0.806  12.633
  441    HE2  LYS  54           1HE      LYS  54   0.362   0.191  14.033
  442    HE3  LYS  54           2HE      LYS  54   1.302  -1.100  14.793
  443    HZ1  LYS  54           3HZ      LYS  54   1.278   0.900  16.165
  444    HZ2  LYS  54           1HZ      LYS  54   2.806   0.599  15.674
  445    HZ3  LYS  54           2HZ      LYS  54   1.942   1.797  14.972
  446    H    LYS  55           H        LYS  55   4.180  -3.532   9.093
  447    HA   LYS  55           HA       LYS  55   5.111  -1.876   6.959
  448    HB2  LYS  55           1HB      LYS  55   6.321  -3.622   8.481
  449    HB3  LYS  55           2HB      LYS  55   5.721  -4.832   7.368
  450    HG2  LYS  55           1HG      LYS  55   7.827  -4.451   6.553
  451    HG3  LYS  55           2HG      LYS  55   6.882  -3.398   5.498
  452    HD2  LYS  55           1HD      LYS  55   7.517  -1.437   6.894
  453    HD3  LYS  55           2HD      LYS  55   8.356  -2.515   8.029
  454    HE2  LYS  55           1HE      LYS  55   9.829  -3.276   6.125
  455    HE3  LYS  55           2HE      LYS  55   9.093  -2.040   5.104
  456    HZ1  LYS  55           3HZ      LYS  55  11.154  -1.250   6.091
  457    HZ2  LYS  55           1HZ      LYS  55   9.924  -0.371   6.717
  458    HZ3  LYS  55           2HZ      LYS  55  10.625  -1.551   7.606
  459    H    ASP  56           H        ASP  56   3.448  -5.054   6.838
  460    HA   ASP  56           HA       ASP  56   3.135  -5.011   3.961
  461    HB2  ASP  56           1HB      ASP  56   3.332  -7.035   5.422
  462    HB3  ASP  56           2HB      ASP  56   1.718  -6.701   6.039
  463    H    ALA  57           H        ALA  57   1.110  -3.905   6.666
  464    HA   ALA  57           HA       ALA  57  -1.274  -3.424   5.124
  465    HB1  ALA  57           1HB      ALA  57  -1.187  -3.450   7.609
  466    HB2  ALA  57           2HB      ALA  57  -0.268  -1.928   7.585
  467    HB3  ALA  57           3HB      ALA  57  -1.932  -1.977   6.970
  468    H    GLN  58           H        GLN  58   1.520  -1.235   5.840
  469    HA   GLN  58           HA       GLN  58   0.695   0.929   4.134
  470    HB2  GLN  58           1HB      GLN  58   3.451  -0.082   4.965
  471    HB3  GLN  58           2HB      GLN  58   3.200   1.326   3.935
  472    HG2  GLN  58           1HG      GLN  58   1.900   2.431   5.717
  473    HG3  GLN  58           2HG      GLN  58   2.221   1.075   6.801
  474   HE21  GLN  58          2HE2      GLN  58   3.014   3.717   7.489
  475   HE22  GLN  58          1HE2      GLN  58   4.766   3.793   7.404
  476    H    SER  59           H        SER  59   2.555  -2.058   3.390
  477    HA   SER  59           HA       SER  59   3.125  -1.350   0.673
  478    HB2  SER  59           1HB      SER  59   2.809  -4.115   1.901
  479    HB3  SER  59           2HB      SER  59   3.575  -3.739   0.354
  480    HG   SER  59           HG       SER  59   4.459  -2.934   2.959
  481    H    ASN  60           H        ASN  60   0.272  -2.974   2.088
  482    HA   ASN  60           HA       ASN  60  -1.007  -3.436  -0.495
  483    HB2  ASN  60           1HB      ASN  60  -1.933  -3.554   2.388
  484    HB3  ASN  60           2HB      ASN  60  -3.083  -3.647   1.052
  485   HD21  ASN  60          2HD2      ASN  60  -0.574  -5.404   2.768
  486   HD22  ASN  60          1HD2      ASN  60  -0.836  -6.915   1.925
  487    H    ALA  61           H        ALA  61  -1.183  -0.790   1.944
  488    HA   ALA  61           HA       ALA  61  -3.209   0.738   0.600
  489    HB1  ALA  61           1HB      ALA  61  -2.451   1.084   2.963
  490    HB2  ALA  61           2HB      ALA  61  -0.903   1.715   2.350
  491    HB3  ALA  61           3HB      ALA  61  -2.416   2.576   2.007
  492    H    ALA  62           H        ALA  62   0.364   0.803   0.308
  493    HA   ALA  62           HA       ALA  62   0.521   2.783  -1.728
  494    HB1  ALA  62           1HB      ALA  62   2.411   1.991  -0.337
  495    HB2  ALA  62           2HB      ALA  62   2.359   0.412  -1.144
  496    HB3  ALA  62           3HB      ALA  62   2.784   1.869  -2.070
  497    H    ARG  63           H        ARG  63   0.352  -0.821  -2.052
  498    HA   ARG  63           HA       ARG  63   0.367  -0.920  -4.848
  499    HB2  ARG  63           1HB      ARG  63   0.511  -2.883  -3.237
  500    HB3  ARG  63           2HB      ARG  63  -1.219  -2.739  -2.976
  501    HG2  ARG  63           1HG      ARG  63  -0.820  -4.519  -4.545
  502    HG3  ARG  63           2HG      ARG  63  -1.616  -3.202  -5.394
  503    HD2  ARG  63           1HD      ARG  63   0.769  -2.485  -6.164
  504    HD3  ARG  63           2HD      ARG  63   1.316  -4.027  -5.510
  505    HE   ARG  63           HE       ARG  63   0.384  -5.111  -7.326
  506   HH11  ARG  63          1HH1      ARG  63  -1.014  -1.841  -7.249
  507   HH12  ARG  63          2HH1      ARG  63  -1.742  -2.047  -8.812
  508   HH21  ARG  63          1HH2      ARG  63  -0.578  -5.247  -9.360
  509   HH22  ARG  63          2HH2      ARG  63  -1.464  -3.895  -9.996
  510    H    ASP  64           H        ASP  64  -2.412  -0.334  -2.713
  511    HA   ASP  64           HA       ASP  64  -4.376  -0.296  -4.824
  512    HB2  ASP  64           1HB      ASP  64  -4.735  -0.909  -2.425
  513    HB3  ASP  64           2HB      ASP  64  -4.515   0.788  -1.993
  514    H    PHE  65           H        PHE  65  -2.391   2.273  -3.310
  515    HA   PHE  65           HA       PHE  65  -3.759   4.414  -4.760
  516    HB2  PHE  65           1HB      PHE  65  -2.477   4.667  -2.602
  517    HB3  PHE  65           2HB      PHE  65  -0.991   4.480  -3.516
  518    HD1  PHE  65           2HD      PHE  65  -0.313   6.257  -5.169
  519    HD2  PHE  65           1HD      PHE  65  -3.839   6.678  -2.738
  520    HE1  PHE  65           2HE      PHE  65  -0.428   8.677  -5.730
  521    HE2  PHE  65           1HE      PHE  65  -3.970   9.081  -3.330
  522    HZ   PHE  65           HZ       PHE  65  -2.265  10.078  -4.845
  523    H    VAL  66           H        VAL  66  -0.812   2.458  -5.317
  524    HA   VAL  66           HA       VAL  66  -0.048   3.672  -7.799
  525    HB   VAL  66           HB       VAL  66   0.341   0.844  -6.758
  526   HG11  VAL  66          1HG1      VAL  66   0.525   0.634  -9.175
  527   HG12  VAL  66          2HG1      VAL  66   1.506   2.115  -9.274
  528   HG13  VAL  66          3HG1      VAL  66   2.154   0.658  -8.494
  529   HG21  VAL  66          3HG2      VAL  66   2.586   1.607  -6.263
  530   HG22  VAL  66          1HG2      VAL  66   2.294   3.162  -7.085
  531   HG23  VAL  66          2HG2      VAL  66   1.454   2.778  -5.578
  532    H    ASN  67           H        ASN  67  -2.326   1.006  -7.116
  533    HA   ASN  67           HA       ASN  67  -3.221   0.527  -9.777
  534    HB2  ASN  67           1HB      ASN  67  -4.570   0.320  -7.083
  535    HB3  ASN  67           2HB      ASN  67  -5.550   0.181  -8.530
  536   HD21  ASN  67          2HD2      ASN  67  -5.001  -1.891  -6.502
  537   HD22  ASN  67          1HD2      ASN  67  -4.300  -3.216  -7.413
  538    H    TYR  68           H        TYR  68  -4.506   3.083  -7.524
  539    HA   TYR  68           HA       TYR  68  -6.227   4.282  -9.467
  540    HB2  TYR  68           1HB      TYR  68  -6.543   4.861  -7.236
  541    HB3  TYR  68           2HB      TYR  68  -4.864   5.300  -6.977
  542    HD1  TYR  68           2HD      TYR  68  -7.983   6.351  -8.756
  543    HD2  TYR  68           1HD      TYR  68  -4.087   7.524  -7.322
  544    HE1  TYR  68           2HE      TYR  68  -8.503   8.727  -9.285
  545    HE2  TYR  68           1HE      TYR  68  -4.596   9.888  -7.855
  546    HH   TYR  68           HH       TYR  68  -6.173  11.382  -8.669
  547    H    LEU  69           H        LEU  69  -2.761   5.028  -8.766
  548    HA   LEU  69           HA       LEU  69  -2.512   7.081 -10.732
  549    HB2  LEU  69           1HB      LEU  69  -0.422   5.171  -9.643
  550    HB3  LEU  69           2HB      LEU  69  -0.100   6.601 -10.622
  551    HG   LEU  69           HG       LEU  69  -1.390   6.711  -7.874
  552   HD11  LEU  69          1HD1      LEU  69   0.906   5.873  -7.742
  553   HD12  LEU  69          2HD1      LEU  69   1.476   7.181  -8.795
  554   HD13  LEU  69          3HD1      LEU  69   0.862   7.547  -7.175
  555   HD21  LEU  69          3HD2      LEU  69  -0.802   9.144  -8.050
  556   HD22  LEU  69          1HD2      LEU  69  -0.361   8.883  -9.749
  557   HD23  LEU  69          2HD2      LEU  69  -2.036   8.642  -9.206
  558    H    VAL  70           H        VAL  70  -2.228   3.562 -11.164
  559    HA   VAL  70           HA       VAL  70  -1.497   3.742 -13.970
  560    HB   VAL  70           HB       VAL  70  -2.758   1.482 -12.381
  561   HG11  VAL  70          1HG1      VAL  70  -3.368   1.119 -14.734
  562   HG12  VAL  70          2HG1      VAL  70  -1.690   1.423 -15.240
  563   HG13  VAL  70          3HG1      VAL  70  -2.098  -0.010 -14.267
  564   HG21  VAL  70          3HG2      VAL  70  -0.538   0.486 -12.460
  565   HG22  VAL  70          1HG2      VAL  70   0.072   1.824 -13.459
  566   HG23  VAL  70          2HG2      VAL  70  -0.412   2.113 -11.781
  567    H    ARG  71           H        ARG  71  -4.612   3.435 -12.270
  568    HA   ARG  71           HA       ARG  71  -6.274   3.271 -14.593
  569    HB2  ARG  71           1HB      ARG  71  -6.847   4.191 -11.759
  570    HB3  ARG  71           2HB      ARG  71  -8.099   4.040 -12.991
  571    HG2  ARG  71           1HG      ARG  71  -7.824   1.684 -13.190
  572    HG3  ARG  71           2HG      ARG  71  -6.295   1.688 -12.310
  573    HD2  ARG  71           1HD      ARG  71  -7.505   2.482 -10.266
  574    HD3  ARG  71           2HD      ARG  71  -9.039   2.312 -11.144
  575    HE   ARG  71           HE       ARG  71  -7.880  -0.152 -11.449
  576   HH11  ARG  71          1HH1      ARG  71  -8.629   1.746  -8.551
  577   HH12  ARG  71          2HH1      ARG  71  -8.741   0.333  -7.548
  578   HH21  ARG  71          1HH2      ARG  71  -8.080  -1.930 -10.099
  579   HH22  ARG  71          2HH2      ARG  71  -8.465  -1.716  -8.419
  580    H    ILE  72           H        ILE  72  -4.910   6.114 -12.982
  581    HA   ILE  72           HA       ILE  72  -6.200   7.885 -15.022
  582    HB   ILE  72           HB       ILE  72  -5.472   9.762 -13.761
  583   HG12  ILE  72          1HG1      ILE  72  -4.272   7.990 -11.621
  584   HG13  ILE  72          2HG1      ILE  72  -3.285   8.670 -12.907
  585   HG21  ILE  72          1HG2      ILE  72  -7.578   8.574 -13.141
  586   HG22  ILE  72          2HG2      ILE  72  -6.696   7.712 -11.863
  587   HG23  ILE  72          3HG2      ILE  72  -6.873   9.476 -11.795
  588   HD11  ILE  72          3HD1      ILE  72  -3.144  10.059 -10.927
  589   HD12  ILE  72          1HD1      ILE  72  -3.967  10.957 -12.217
  590   HD13  ILE  72          2HD1      ILE  72  -4.902  10.256 -10.878
  591    H    ASN  73           H        ASN  73  -3.625   5.971 -15.181
  592    HA   ASN  73           HA       ASN  73  -1.915   5.769 -16.559
  593    HB2  ASN  73           1HB      ASN  73  -3.714   6.656 -18.120
  594    HB3  ASN  73           2HB      ASN  73  -2.893   8.218 -18.067
  595   HD21  ASN  73          2HD2      ASN  73  -2.152   4.706 -18.656
  596   HD22  ASN  73          1HD2      ASN  73  -1.046   5.033 -19.977
  597    H    GLU  74           H        GLU  74  -1.631   7.685 -14.209
  598    HA   GLU  74           HA       GLU  74   0.737   9.292 -14.976
  599    HB2  GLU  74           1HB      GLU  74  -0.750   8.935 -12.350
  600    HB3  GLU  74           2HB      GLU  74   0.691   9.925 -12.544
  601    HG2  GLU  74           1HG      GLU  74  -1.940  10.374 -13.992
  602    HG3  GLU  74           2HG      GLU  74  -1.332  11.294 -12.618
  603    H    VAL  75           H        VAL  75   0.157   6.101 -14.044
  604    HA   VAL  75           HA       VAL  75   3.096   5.619 -13.805
  605    HB   VAL  75           HB       VAL  75   0.895   4.226 -12.204
  606   HG11  VAL  75          1HG1      VAL  75   2.499   2.511 -12.971
  607   HG12  VAL  75          2HG1      VAL  75   3.863   3.545 -12.451
  608   HG13  VAL  75          3HG1      VAL  75   2.752   2.831 -11.261
  609   HG21  VAL  75          3HG2      VAL  75   2.020   4.940 -10.226
  610   HG22  VAL  75          1HG2      VAL  75   3.445   5.457 -11.131
  611   HG23  VAL  75          2HG2      VAL  75   1.948   6.391 -11.245
  612    H    LYS  76           H        LYS  76   3.786   4.028 -15.218
  613    HA   LYS  76           HA       LYS  76   1.793   2.696 -16.980
  614    HB2  LYS  76           1HB      LYS  76   4.836   2.563 -16.967
  615    HB3  LYS  76           2HB      LYS  76   3.769   1.810 -18.151
  616    HG2  LYS  76           1HG      LYS  76   2.899   4.057 -18.804
  617    HG3  LYS  76           2HG      LYS  76   4.032   4.816 -17.668
  618    HD2  LYS  76           1HD      LYS  76   5.942   3.820 -18.899
  619    HD3  LYS  76           2HD      LYS  76   4.810   3.063 -20.043
  620    HE2  LYS  76           1HE      LYS  76   3.950   5.316 -20.670
  621    HE3  LYS  76           2HE      LYS  76   5.085   6.065 -19.540
  622    HZ1  LYS  76           3HZ      LYS  76   5.950   6.077 -21.802
  623    HZ2  LYS  76           1HZ      LYS  76   6.909   5.145 -20.865
  624    HZ3  LYS  76           2HZ      LYS  76   5.858   4.451 -21.910
  625    H    SER  77           H        SER  77   1.078   0.637 -16.627
  626    HA   SER  77           HA       SER  77   1.481  -0.732 -14.193
  627    HB2  SER  77           1HB      SER  77   0.412  -2.654 -15.380
  628    HB3  SER  77           2HB      SER  77  -0.465  -1.123 -15.517
  629    HG   SER  77           HG       SER  77  -0.289  -2.229 -17.552
  630    H    GLU  78           H        GLU  78   3.261  -1.082 -17.241
  631    HA   GLU  78           HA       GLU  78   4.657  -3.474 -16.711
  632    HB2  GLU  78           1HB      GLU  78   5.565  -1.050 -18.318
  633    HB3  GLU  78           2HB      GLU  78   6.270  -2.669 -18.403
  634    HG2  GLU  78           1HG      GLU  78   4.043  -3.565 -19.134
  635    HG3  GLU  78           2HG      GLU  78   3.421  -1.913 -19.181
  636    H    GLU  79           H        GLU  79   5.167  -0.351 -15.233
  637    HA   GLU  79           HA       GLU  79   7.906  -0.980 -14.312
  638    HB2  GLU  79           1HB      GLU  79   6.035   1.358 -13.763
  639    HB3  GLU  79           2HB      GLU  79   7.684   1.227 -13.189
  640    HG2  GLU  79           1HG      GLU  79   6.848   1.342 -16.122
  641    HG3  GLU  79           2HG      GLU  79   7.470   2.687 -15.178
  642    H    VAL  80           H        VAL  80   4.709  -1.607 -13.205
  643    HA   VAL  80           HA       VAL  80   5.130  -1.042 -10.399
  644    HB   VAL  80           HB       VAL  80   2.876  -2.586 -11.732
  645   HG11  VAL  80          1HG1      VAL  80   2.926  -3.154  -9.360
  646   HG12  VAL  80          2HG1      VAL  80   3.114  -1.444  -8.916
  647   HG13  VAL  80          3HG1      VAL  80   1.602  -2.025  -9.648
  648   HG21  VAL  80          3HG2      VAL  80   1.609  -0.474 -11.485
  649   HG22  VAL  80          1HG2      VAL  80   3.059   0.327 -10.840
  650   HG23  VAL  80          2HG2      VAL  80   3.018  -0.237 -12.519
  651    HA   PRO  81           HA       PRO  81   7.038  -5.070  -9.597
  652    HB2  PRO  81           1HB      PRO  81   7.454  -4.885  -6.906
  653    HB3  PRO  81           2HB      PRO  81   8.407  -3.952  -8.101
  654    HG2  PRO  81           1HG      PRO  81   5.996  -3.027  -6.515
  655    HG3  PRO  81           2HG      PRO  81   7.569  -2.194  -6.724
  656    HD2  PRO  81           1HD      PRO  81   5.390  -1.584  -8.253
  657    HD3  PRO  81           2HD      PRO  81   7.040  -1.557  -8.936
  658    H    ALA  82           H        ALA  82   6.365  -7.081  -8.911
  659    HA   ALA  82           HA       ALA  82   3.890  -7.409  -7.340
  660    HB1  ALA  82           1HB      ALA  82   3.140  -7.087  -9.684
  661    HB2  ALA  82           2HB      ALA  82   4.204  -8.409 -10.211
  662    HB3  ALA  82           3HB      ALA  82   2.829  -8.745  -9.140
  663    H    VAL  83           H        VAL  83   3.469  -9.647  -6.754
  664    HA   VAL  83           HA       VAL  83   5.706 -10.836  -5.660
  665    HB   VAL  83           HB       VAL  83   3.165 -10.774  -5.053
  666   HG11  VAL  83          1HG1      VAL  83   2.354 -12.151  -6.961
  667   HG12  VAL  83          2HG1      VAL  83   3.202 -13.558  -6.277
  668   HG13  VAL  83          3HG1      VAL  83   1.890 -12.784  -5.373
  669   HG21  VAL  83          3HG2      VAL  83   3.478 -12.506  -3.409
  670   HG22  VAL  83          1HG2      VAL  83   4.880 -13.147  -4.300
  671   HG23  VAL  83          2HG2      VAL  83   4.928 -11.506  -3.604
  672    H    GLY  84           H        GLY  84   4.680 -11.373  -8.874
  673    HA2  GLY  84           1HA      GLY  84   6.576 -13.564  -9.253
  674    HA3  GLY  84           2HA      GLY  84   4.901 -14.022  -9.506
  675    H    ILE  85           H        ILE  85   6.772 -14.201 -11.459
  676    HA   ILE  85           HA       ILE  85   5.860 -12.275 -13.556
  677    HB   ILE  85           HB       ILE  85   8.674 -13.416 -13.232
  678   HG12  ILE  85          1HG1      ILE  85   7.615 -10.575 -12.884
  679   HG13  ILE  85          2HG1      ILE  85   8.250 -11.618 -11.615
  680   HG21  ILE  85          1HG2      ILE  85   8.034 -13.223 -15.618
  681   HG22  ILE  85          2HG2      ILE  85   7.561 -11.526 -15.360
  682   HG23  ILE  85          3HG2      ILE  85   9.254 -12.044 -15.211
  683   HD11  ILE  85          3HD1      ILE  85   9.941 -10.036 -12.112
  684   HD12  ILE  85          1HD1      ILE  85  10.489 -11.599 -12.751
  685   HD13  ILE  85          2HD1      ILE  85   9.852 -10.345 -13.850
  686    H    VAL  86           H        VAL  86   5.410 -13.236 -15.573
  687    HA   VAL  86           HA       VAL  86   5.359 -16.211 -15.669
  688    HB   VAL  86           HB       VAL  86   3.190 -16.038 -16.851
  689   HG11  VAL  86          1HG1      VAL  86   3.316 -16.621 -14.454
  690   HG12  VAL  86          2HG1      VAL  86   3.137 -14.905 -14.026
  691   HG13  VAL  86          3HG1      VAL  86   1.820 -15.761 -14.853
  692   HG21  VAL  86          3HG2      VAL  86   1.791 -14.048 -16.679
  693   HG22  VAL  86          1HG2      VAL  86   3.104 -13.142 -15.908
  694   HG23  VAL  86          2HG2      VAL  86   3.255 -13.678 -17.597
  695    HA   PRO  87           HA       PRO  87   7.168 -15.996 -19.689
  696    HB2  PRO  87           1HB      PRO  87   5.073 -17.967 -20.610
  697    HB3  PRO  87           2HB      PRO  87   6.850 -18.037 -20.819
  698    HG2  PRO  87           1HG      PRO  87   5.654 -19.538 -18.919
  699    HG3  PRO  87           2HG      PRO  87   7.169 -18.655 -18.532
  700    HD2  PRO  87           1HD      PRO  87   4.312 -17.846 -17.917
  701    HD3  PRO  87           2HD      PRO  87   5.750 -17.844 -16.850
  702    HA   PRO  88           HA       PRO  88   4.905 -13.375 -22.549
  703    HB2  PRO  88           1HB      PRO  88   5.881 -15.212 -24.746
  704    HB3  PRO  88           2HB      PRO  88   5.927 -13.423 -24.677
  705    HG2  PRO  88           1HG      PRO  88   8.163 -14.847 -24.164
  706    HG3  PRO  88           2HG      PRO  88   7.735 -13.458 -23.109
  707    HD2  PRO  88           1HD      PRO  88   7.253 -16.411 -22.618
  708    HD3  PRO  88           2HD      PRO  88   7.915 -15.171 -21.508
  709    HA   PRO  89           HA       PRO  89   1.044 -15.403 -23.253
  710    HB2  PRO  89           1HB      PRO  89  -0.225 -13.821 -25.101
  711    HB3  PRO  89           2HB      PRO  89   0.115 -13.302 -23.422
  712    HG2  PRO  89           1HG      PRO  89   1.760 -12.731 -25.912
  713    HG3  PRO  89           2HG      PRO  89   1.190 -11.565 -24.672
  714    HD2  PRO  89           1HD      PRO  89   3.692 -12.602 -24.583
  715    HD3  PRO  89           2HD      PRO  89   2.756 -12.357 -23.078
  716    H    SER  90           H        SER  90   3.219 -15.116 -26.011
  717    HA   SER  90           HA       SER  90   1.798 -16.902 -27.790
  718    HB2  SER  90           1HB      SER  90   4.775 -16.312 -27.620
  719    HB3  SER  90           2HB      SER  90   3.903 -16.999 -29.000
  720    HG   SER  90           HG       SER  90   4.272 -14.739 -29.261
  721    H    GLY  91           H        GLY  91   3.439 -17.506 -24.842
  722    HA2  GLY  91           1HA      GLY  91   3.786 -19.456 -23.674
  723    HA3  GLY  91           2HA      GLY  91   3.137 -20.388 -25.037
  724    HA   PRO  92           HA       PRO  92   7.747 -21.248 -24.615
  725    HB2  PRO  92           1HB      PRO  92   6.609 -24.038 -24.642
  726    HB3  PRO  92           2HB      PRO  92   7.996 -23.394 -23.712
  727    HG2  PRO  92           1HG      PRO  92   5.612 -23.814 -22.494
  728    HG3  PRO  92           2HG      PRO  92   6.539 -22.315 -22.151
  729    HD2  PRO  92           1HD      PRO  92   4.219 -22.686 -24.073
  730    HD3  PRO  92           2HD      PRO  92   4.475 -21.411 -22.844
  731    H    SER  93           H        SER  93   9.100 -22.186 -26.273
  732    HA   SER  93           HA       SER  93   8.020 -23.494 -28.617
  733    HB2  SER  93           1HB      SER  93   8.599 -21.747 -30.247
  734    HB3  SER  93           2HB      SER  93   7.284 -21.246 -29.186
  735    HG   SER  93           HG       SER  93   8.796 -20.011 -27.981
  736    H    SER  94           H        SER  94   9.707 -23.985 -30.235
  737    HA   SER  94           HA       SER  94  12.527 -23.616 -29.726
  738    HB2  SER  94           1HB      SER  94  11.214 -26.255 -28.973
  739    HB3  SER  94           2HB      SER  94  12.909 -26.156 -29.462
  740    HG   SER  94           HG       SER  94  11.913 -24.469 -27.423
  741    H    GLY  95           H        GLY  95  13.834 -24.604 -31.393
  742    HA2  GLY  95           1HA      GLY  95  12.945 -26.254 -33.506
  743    HA3  GLY  95           2HA      GLY  95  12.689 -24.585 -34.019
  Start of MODEL    5
    1    H1   GLY  -3           1H       GLY  -3  17.596   0.666   8.389
    2    H2   GLY  -3           2H       GLY  -3  17.571   0.682   6.752
    3    H3   GLY  -3           3H       GLY  -3  16.942   1.940   7.594
    4    HA2  GLY  -3           1HA      GLY  -3  15.197   0.551   8.495
    5    HA3  GLY  -3           2HA      GLY  -3  15.161   0.589   6.724
    6    H    SER  -2           H        SER  -2  14.336  -1.499   8.829
    7    HA   SER  -2           HA       SER  -2  16.147  -3.734   8.533
    8    HB2  SER  -2           1HB      SER  -2  13.277  -3.654   9.520
    9    HB3  SER  -2           2HB      SER  -2  14.428  -4.984   9.729
   10    HG   SER  -2           HG       SER  -2  14.343  -3.619  11.590
   11    H    SER  -1           H        SER  -1  16.357  -5.009   6.836
   12    HA   SER  -1           HA       SER  -1  15.993  -6.531   5.232
   13    HB2  SER  -1           1HB      SER  -1  13.055  -6.398   5.964
   14    HB3  SER  -1           2HB      SER  -1  13.861  -7.651   5.014
   15    HG   SER  -1           HG       SER  -1  13.633  -8.253   7.233
   16    H    GLY   0           H        GLY   0  13.605  -3.886   4.880
   17    HA2  GLY   0           1HA      GLY   0  13.174  -2.530   3.052
   18    HA3  GLY   0           2HA      GLY   0  14.519  -3.311   2.191
   19    H    SER   1           H        SER   1  12.120  -5.520   3.267
   20    HA   SER   1           HA       SER   1  11.639  -6.446   0.642
   21    HB2  SER   1           1HB      SER   1  10.039  -7.119   3.130
   22    HB3  SER   1           2HB      SER   1  10.272  -8.124   1.689
   23    HG   SER   1           HG       SER   1  11.668  -8.796   3.364
   24    H    SER   2           H        SER   2  10.019  -3.849   2.115
   25    HA   SER   2           HA       SER   2   7.377  -4.198   0.911
   26    HB2  SER   2           1HB      SER   2   7.094  -1.887   1.928
   27    HB3  SER   2           2HB      SER   2   7.428  -3.219   3.033
   28    HG   SER   2           HG       SER   2   8.771  -1.547   3.642
   29    H    GLY   3           H        GLY   3   8.747  -4.543  -1.213
   30    HA2  GLY   3           1HA      GLY   3  10.050  -2.367  -2.470
   31    HA3  GLY   3           2HA      GLY   3   9.481  -3.841  -3.281
   32    H    ILE   4           H        ILE   4   6.644  -3.257  -2.618
   33    HA   ILE   4           HA       ILE   4   6.042  -1.351  -4.778
   34    HB   ILE   4           HB       ILE   4   4.713  -3.384  -4.498
   35   HG12  ILE   4          1HG1      ILE   4   2.447  -2.448  -4.621
   36   HG13  ILE   4          2HG1      ILE   4   3.022  -0.886  -4.044
   37   HG21  ILE   4          1HG2      ILE   4   4.740  -3.586  -2.027
   38   HG22  ILE   4          2HG2      ILE   4   3.682  -2.164  -1.902
   39   HG23  ILE   4          3HG2      ILE   4   3.098  -3.651  -2.668
   40   HD11  ILE   4          3HD1      ILE   4   2.684  -0.948  -6.495
   41   HD12  ILE   4          1HD1      ILE   4   4.382  -0.637  -6.108
   42   HD13  ILE   4          2HD1      ILE   4   3.867  -2.259  -6.639
   43    H    LYS   5           H        LYS   5   6.062  -1.236  -1.265
   44    HA   LYS   5           HA       LYS   5   4.858   1.383  -0.961
   45    HB2  LYS   5           1HB      LYS   5   5.305  -0.628   0.698
   46    HB3  LYS   5           2HB      LYS   5   6.871   0.118   0.932
   47    HG2  LYS   5           1HG      LYS   5   4.218   1.556   1.329
   48    HG3  LYS   5           2HG      LYS   5   4.988   0.612   2.585
   49    HD2  LYS   5           1HD      LYS   5   6.221   3.066   1.272
   50    HD3  LYS   5           2HD      LYS   5   5.398   3.044   2.823
   51    HE2  LYS   5           1HE      LYS   5   7.967   1.524   2.181
   52    HE3  LYS   5           2HE      LYS   5   7.855   3.058   3.045
   53    HZ1  LYS   5           3HZ      LYS   5   7.997   1.315   4.645
   54    HZ2  LYS   5           1HZ      LYS   5   6.459   1.883   4.728
   55    HZ3  LYS   5           2HZ      LYS   5   6.765   0.468   3.977
   56    H    ASN   6           H        ASN   6   8.208   0.187  -1.222
   57    HA   ASN   6           HA       ASN   6   9.485   2.754  -1.305
   58    HB2  ASN   6           1HB      ASN   6  10.607   0.586  -0.802
   59    HB3  ASN   6           2HB      ASN   6  10.368   0.095  -2.484
   60   HD21  ASN   6          2HD2      ASN   6  12.031   2.503  -0.392
   61   HD22  ASN   6          1HD2      ASN   6  13.271   2.877  -1.574
   62    H    PHE   7           H        PHE   7   7.966   0.782  -3.913
   63    HA   PHE   7           HA       PHE   7   8.991   2.380  -6.067
   64    HB2  PHE   7           1HB      PHE   7   8.173   0.153  -6.487
   65    HB3  PHE   7           2HB      PHE   7   6.567   0.569  -5.886
   66    HD1  PHE   7           2HD      PHE   7   9.044   1.415  -8.577
   67    HD2  PHE   7           1HD      PHE   7   4.922   1.508  -7.323
   68    HE1  PHE   7           2HE      PHE   7   8.379   2.262 -10.814
   69    HE2  PHE   7           1HE      PHE   7   4.264   2.362  -9.562
   70    HZ   PHE   7           HZ       PHE   7   5.986   2.743 -11.305
   71    H    LEU   8           H        LEU   8   5.897   2.632  -4.191
   72    HA   LEU   8           HA       LEU   8   4.967   4.928  -5.631
   73    HB2  LEU   8           1HB      LEU   8   3.570   3.551  -4.097
   74    HB3  LEU   8           2HB      LEU   8   4.504   4.154  -2.720
   75    HG   LEU   8           HG       LEU   8   3.684   6.403  -3.021
   76   HD11  LEU   8          1HD1      LEU   8   3.535   6.599  -5.477
   77   HD12  LEU   8          2HD1      LEU   8   2.204   5.422  -5.506
   78   HD13  LEU   8          3HD1      LEU   8   1.999   7.013  -4.732
   79   HD21  LEU   8          3HD2      LEU   8   1.292   6.054  -2.584
   80   HD22  LEU   8          1HD2      LEU   8   1.382   4.427  -3.296
   81   HD23  LEU   8          2HD2      LEU   8   2.250   4.792  -1.792
   82    H    TYR   9           H        TYR   9   7.048   4.666  -2.722
   83    HA   TYR   9           HA       TYR   9   7.406   7.445  -2.318
   84    HB2  TYR   9           1HB      TYR   9   7.971   5.587  -0.741
   85    HB3  TYR   9           2HB      TYR   9   9.362   5.190  -1.734
   86    HD1  TYR   9           1HD      TYR   9  11.327   6.715  -1.841
   87    HD2  TYR   9           2HD      TYR   9   7.955   7.526   0.721
   88    HE1  TYR   9           1HE      TYR   9  12.678   8.393  -0.593
   89    HE2  TYR   9           2HE      TYR   9   9.301   9.197   1.975
   90    HH   TYR   9           HH       TYR   9  11.340  10.250   2.174
   91    H    ALA  10           H        ALA  10   9.322   5.189  -4.345
   92    HA   ALA  10           HA       ALA  10  11.200   7.130  -5.313
   93    HB1  ALA  10           1HB      ALA  10  11.570   4.684  -5.353
   94    HB2  ALA  10           2HB      ALA  10  10.254   4.497  -6.537
   95    HB3  ALA  10           3HB      ALA  10  11.727   5.387  -6.975
   96    H    TRP  11           H        TRP  11   8.022   6.073  -6.640
   97    HA   TRP  11           HA       TRP  11   8.112   7.642  -9.035
   98    HB2  TRP  11           1HB      TRP  11   6.510   5.834  -8.660
   99    HB3  TRP  11           2HB      TRP  11   5.782   6.700  -7.325
  100    HD1  TRP  11           HD       TRP  11   5.915   6.692 -11.133
  101    HE1  TRP  11           1HE      TRP  11   3.984   8.093 -12.053
  102    HE3  TRP  11           3HE      TRP  11   4.247   8.755  -6.751
  103    HZ2  TRP  11           2HZ      TRP  11   2.118  10.069 -11.047
  104    HZ3  TRP  11           3HZ      TRP  11   2.359  10.353  -6.757
  105    HH2  TRP  11           HH       TRP  11   1.283  11.017  -8.895
  106    H    CYS  12           H        CYS  12   6.807   8.377  -5.795
  107    HA   CYS  12           HA       CYS  12   6.069  11.106  -6.269
  108    HB2  CYS  12           1HB      CYS  12   7.105   9.703  -3.771
  109    HB3  CYS  12           2HB      CYS  12   6.436  11.337  -3.792
  110    HG   CYS  12           HG       CYS  12   4.986   8.477  -4.549
  111    H    GLY  13           H        GLY  13   9.242   9.749  -5.251
  112    HA2  GLY  13           1HA      GLY  13  10.662  12.212  -5.124
  113    HA3  GLY  13           2HA      GLY  13  11.377  10.599  -5.352
  114    H    LYS  14           H        LYS  14   9.929  10.176  -7.945
  115    HA   LYS  14           HA       LYS  14  11.697  11.576  -9.800
  116    HB2  LYS  14           1HB      LYS  14   9.310   9.716 -10.117
  117    HB3  LYS  14           2HB      LYS  14  10.107  10.461 -11.500
  118    HG2  LYS  14           1HG      LYS  14  12.164   9.346 -11.097
  119    HG3  LYS  14           2HG      LYS  14  11.696   8.857  -9.472
  120    HD2  LYS  14           1HD      LYS  14  11.631   6.964 -11.020
  121    HD3  LYS  14           2HD      LYS  14  10.038   7.298 -10.336
  122    HE2  LYS  14           1HE      LYS  14   9.370   8.463 -12.427
  123    HE3  LYS  14           2HE      LYS  14  10.976   8.178 -13.107
  124    HZ1  LYS  14           3HZ      LYS  14   9.351   6.514 -13.860
  125    HZ2  LYS  14           1HZ      LYS  14  10.537   5.793 -13.003
  126    HZ3  LYS  14           2HZ      LYS  14   9.063   6.036 -12.337
  127    H    ARG  15           H        ARG  15   8.790  12.465  -8.279
  128    HA   ARG  15           HA       ARG  15   8.270  14.702 -10.188
  129    HB2  ARG  15           1HB      ARG  15   6.371  13.234  -8.317
  130    HB3  ARG  15           2HB      ARG  15   5.949  14.590  -9.376
  131    HG2  ARG  15           1HG      ARG  15   6.706  13.149 -11.343
  132    HG3  ARG  15           2HG      ARG  15   6.792  11.784 -10.230
  133    HD2  ARG  15           1HD      ARG  15   4.439  11.945  -9.717
  134    HD3  ARG  15           2HD      ARG  15   4.316  13.501 -10.555
  135    HE   ARG  15           HE       ARG  15   5.134  11.109 -12.116
  136   HH11  ARG  15          1HH1      ARG  15   2.542  13.493 -11.490
  137   HH12  ARG  15          2HH1      ARG  15   1.648  12.911 -12.893
  138   HH21  ARG  15          1HH2      ARG  15   3.773  10.497 -13.882
  139   HH22  ARG  15          2HH2      ARG  15   2.295  11.418 -14.119
  140    H    LYS  16           H        LYS  16   9.936  14.335  -7.475
  141    HA   LYS  16           HA       LYS  16  10.553  15.568  -5.688
  142    HB2  LYS  16           1HB      LYS  16   9.207  17.905  -7.108
  143    HB3  LYS  16           2HB      LYS  16  10.378  18.004  -5.794
  144    HG2  LYS  16           1HG      LYS  16  12.084  16.876  -7.214
  145    HG3  LYS  16           2HG      LYS  16  10.931  16.856  -8.564
  146    HD2  LYS  16           1HD      LYS  16  10.794  19.332  -8.492
  147    HD3  LYS  16           2HD      LYS  16  11.957  19.355  -7.147
  148    HE2  LYS  16           1HE      LYS  16  13.646  18.239  -8.595
  149    HE3  LYS  16           2HE      LYS  16  12.490  18.222  -9.934
  150    HZ1  LYS  16           3HZ      LYS  16  14.008  20.103 -10.100
  151    HZ2  LYS  16           1HZ      LYS  16  12.486  20.655  -9.875
  152    HZ3  LYS  16           2HZ      LYS  16  13.557  20.671  -8.636
  153    H    MET  17           H        MET  17   7.975  14.187  -5.562
  154    HA   MET  17           HA       MET  17   6.530  15.664  -3.392
  155    HB2  MET  17           1HB      MET  17   5.686  13.299  -5.126
  156    HB3  MET  17           2HB      MET  17   4.707  14.024  -3.853
  157    HG2  MET  17           1HG      MET  17   4.860  16.222  -5.125
  158    HG3  MET  17           2HG      MET  17   5.548  15.307  -6.464
  159    HE1  MET  17           3HE      MET  17   2.565  12.883  -7.403
  160    HE2  MET  17           1HE      MET  17   4.233  13.349  -7.759
  161    HE3  MET  17           2HE      MET  17   3.840  12.521  -6.234
  162    H    THR  18           H        THR  18   5.579  14.117  -1.773
  163    HA   THR  18           HA       THR  18   7.186  11.706  -1.117
  164    HB   THR  18           HB       THR  18   6.504  13.867   0.919
  165    HG1  THR  18           1HG      THR  18   8.737  14.218   0.920
  166   HG21  THR  18          3HG2      THR  18   7.986  12.539   2.408
  167   HG22  THR  18          1HG2      THR  18   6.583  11.594   1.905
  168   HG23  THR  18          2HG2      THR  18   8.163  11.307   1.140
  169    HA   PRO  19           HA       PRO  19   2.840  10.540  -0.543
  170    HB2  PRO  19           1HB      PRO  19   3.087   7.910   0.088
  171    HB3  PRO  19           2HB      PRO  19   3.449   8.523  -1.555
  172    HG2  PRO  19           1HG      PRO  19   5.404   7.958   0.697
  173    HG3  PRO  19           2HG      PRO  19   5.510   7.444  -1.015
  174    HD2  PRO  19           1HD      PRO  19   6.789   9.668  -0.010
  175    HD3  PRO  19           2HD      PRO  19   6.195   9.590  -1.689
  176    H    ALA  20           H        ALA  20   1.407  10.305   1.170
  177    HA   ALA  20           HA       ALA  20   2.568  10.322   3.934
  178    HB1  ALA  20           1HB      ALA  20   1.646  12.496   3.274
  179    HB2  ALA  20           2HB      ALA  20   0.096  11.728   2.851
  180    HB3  ALA  20           3HB      ALA  20   0.658  11.731   4.537
  181    H    TYR  21           H        TYR  21   2.215   8.520   4.941
  182    HA   TYR  21           HA       TYR  21  -0.103   6.767   4.314
  183    HB2  TYR  21           1HB      TYR  21   2.457   6.275   5.877
  184    HB3  TYR  21           2HB      TYR  21   1.152   5.112   5.715
  185    HD1  TYR  21           1HD      TYR  21   3.879   6.852   3.900
  186    HD2  TYR  21           2HD      TYR  21   0.768   3.876   3.656
  187    HE1  TYR  21           1HE      TYR  21   4.838   6.027   1.766
  188    HE2  TYR  21           2HE      TYR  21   1.735   3.041   1.520
  189    HH   TYR  21           HH       TYR  21   4.615   4.571   0.007
  190    H    GLU  22           H        GLU  22  -1.432   5.926   5.919
  191    HA   GLU  22           HA       GLU  22  -1.517   7.187   8.616
  192    HB2  GLU  22           1HB      GLU  22  -2.801   8.533   6.948
  193    HB3  GLU  22           2HB      GLU  22  -3.791   7.115   6.582
  194    HG2  GLU  22           1HG      GLU  22  -4.618   7.084   8.909
  195    HG3  GLU  22           2HG      GLU  22  -3.576   8.458   9.308
  196    H    ILE  23           H        ILE  23  -2.402   5.774  10.187
  197    HA   ILE  23           HA       ILE  23  -3.137   3.015   9.298
  198    HB   ILE  23           HB       ILE  23  -0.842   3.831  11.116
  199   HG12  ILE  23          1HG1      ILE  23  -1.018   2.142   8.583
  200   HG13  ILE  23          2HG1      ILE  23  -0.331   3.762   8.713
  201   HG21  ILE  23          1HG2      ILE  23  -2.016   1.984  12.269
  202   HG22  ILE  23          2HG2      ILE  23  -1.942   1.004  10.782
  203   HG23  ILE  23          3HG2      ILE  23  -0.471   1.461  11.664
  204   HD11  ILE  23          3HD1      ILE  23   1.487   2.261   8.591
  205   HD12  ILE  23          1HD1      ILE  23   1.420   2.824  10.273
  206   HD13  ILE  23          2HD1      ILE  23   0.816   1.201   9.832
  207    H    ARG  24           H        ARG  24  -4.355   1.799  10.647
  208    HA   ARG  24           HA       ARG  24  -5.223   2.890  13.270
  209    HB2  ARG  24           1HB      ARG  24  -6.944   3.420  11.500
  210    HB3  ARG  24           2HB      ARG  24  -7.050   1.693  11.161
  211    HG2  ARG  24           1HG      ARG  24  -8.919   2.315  12.498
  212    HG3  ARG  24           2HG      ARG  24  -7.876   1.283  13.470
  213    HD2  ARG  24           1HD      ARG  24  -6.948   3.347  14.582
  214    HD3  ARG  24           2HD      ARG  24  -8.071   4.324  13.614
  215    HE   ARG  24           HE       ARG  24  -9.487   2.259  15.019
  216   HH11  ARG  24          1HH1      ARG  24  -7.927   5.367  15.687
  217   HH12  ARG  24          2HH1      ARG  24  -8.929   5.671  17.076
  218   HH21  ARG  24          1HH2      ARG  24 -10.746   2.719  16.813
  219   HH22  ARG  24          2HH2      ARG  24 -10.501   4.192  17.701
  220    H    ALA  25           H        ALA  25  -5.340   1.386  14.816
  221    HA   ALA  25           HA       ALA  25  -4.464  -1.390  14.271
  222    HB1  ALA  25           1HB      ALA  25  -3.408  -0.059  16.086
  223    HB2  ALA  25           2HB      ALA  25  -4.983   0.075  16.899
  224    HB3  ALA  25           3HB      ALA  25  -4.212  -1.514  16.708
  225    H    VAL  26           H        VAL  26  -5.715  -3.172  14.501
  226    HA   VAL  26           HA       VAL  26  -8.488  -3.058  15.537
  227    HB   VAL  26           HB       VAL  26  -9.407  -4.117  13.505
  228   HG11  VAL  26          1HG1      VAL  26  -9.641  -1.669  13.864
  229   HG12  VAL  26          2HG1      VAL  26  -8.220  -1.409  12.821
  230   HG13  VAL  26          3HG1      VAL  26  -9.687  -2.160  12.166
  231   HG21  VAL  26          3HG2      VAL  26  -8.234  -4.031  11.355
  232   HG22  VAL  26          1HG2      VAL  26  -6.773  -3.402  12.141
  233   HG23  VAL  26          2HG2      VAL  26  -7.357  -5.042  12.500
  234    H    GLY  27           H        GLY  27  -9.494  -5.389  15.223
  235    HA2  GLY  27           1HA      GLY  27  -9.164  -7.754  15.123
  236    HA3  GLY  27           2HA      GLY  27  -7.459  -7.554  15.551
  237    H    ASN  28           H        ASN  28  -7.512  -9.002  17.186
  238    HA   ASN  28           HA       ASN  28  -9.327  -8.578  19.532
  239    HB2  ASN  28           1HB      ASN  28  -9.807 -10.576  18.138
  240    HB3  ASN  28           2HB      ASN  28  -8.149 -11.134  18.352
  241   HD21  ASN  28          2HD2      ASN  28 -11.298 -10.697  19.959
  242   HD22  ASN  28          1HD2      ASN  28 -10.894 -11.694  21.346
  243    H    LYS  29           H        LYS  29  -8.433  -9.146  21.653
  244    HA   LYS  29           HA       LYS  29  -5.820  -8.187  22.187
  245    HB2  LYS  29           1HB      LYS  29  -6.176  -8.950  24.446
  246    HB3  LYS  29           2HB      LYS  29  -7.603  -8.136  23.805
  247    HG2  LYS  29           1HG      LYS  29  -8.741 -10.300  23.475
  248    HG3  LYS  29           2HG      LYS  29  -7.276 -11.172  23.928
  249    HD2  LYS  29           1HD      LYS  29  -8.794 -11.176  25.791
  250    HD3  LYS  29           2HD      LYS  29  -7.357 -10.252  26.191
  251    HE2  LYS  29           1HE      LYS  29  -9.221  -9.074  27.101
  252    HE3  LYS  29           2HE      LYS  29  -8.622  -8.125  25.743
  253    HZ1  LYS  29           3HZ      LYS  29 -11.046  -8.308  25.740
  254    HZ2  LYS  29           1HZ      LYS  29 -10.455  -9.034  24.404
  255    HZ3  LYS  29           2HZ      LYS  29 -10.980  -9.936  25.666
  256    H    ASN  30           H        ASN  30  -6.734 -11.433  21.258
  257    HA   ASN  30           HA       ASN  30  -4.049 -12.515  21.894
  258    HB2  ASN  30           1HB      ASN  30  -6.186 -13.720  22.453
  259    HB3  ASN  30           2HB      ASN  30  -6.507 -13.871  20.728
  260   HD21  ASN  30          2HD2      ASN  30  -6.126 -16.011  20.176
  261   HD22  ASN  30          1HD2      ASN  30  -4.726 -16.928  20.704
  262    H    ARG  31           H        ARG  31  -5.470 -10.930  19.251
  263    HA   ARG  31           HA       ARG  31  -3.222 -11.476  17.512
  264    HB2  ARG  31           1HB      ARG  31  -4.489 -13.426  16.892
  265    HB3  ARG  31           2HB      ARG  31  -5.969 -12.482  16.672
  266    HG2  ARG  31           1HG      ARG  31  -5.077 -11.363  14.733
  267    HG3  ARG  31           2HG      ARG  31  -3.444 -11.974  15.050
  268    HD2  ARG  31           1HD      ARG  31  -4.031 -14.191  14.379
  269    HD3  ARG  31           2HD      ARG  31  -5.758 -13.859  14.526
  270    HE   ARG  31           HE       ARG  31  -5.775 -13.262  12.349
  271   HH11  ARG  31          1HH1      ARG  31  -2.462 -12.519  13.398
  272   HH12  ARG  31          2HH1      ARG  31  -2.069 -11.832  11.834
  273   HH21  ARG  31          1HH2      ARG  31  -5.089 -12.454  10.354
  274   HH22  ARG  31          2HH2      ARG  31  -3.470 -11.816  10.210
  275    H    GLN  32           H        GLN  32  -2.764  -9.344  17.491
  276    HA   GLN  32           HA       GLN  32  -4.786  -7.329  16.734
  277    HB2  GLN  32           1HB      GLN  32  -1.930  -7.284  17.751
  278    HB3  GLN  32           2HB      GLN  32  -2.614  -5.875  16.951
  279    HG2  GLN  32           1HG      GLN  32  -4.462  -5.758  18.534
  280    HG3  GLN  32           2HG      GLN  32  -3.944  -7.245  19.315
  281   HE21  GLN  32          2HE2      GLN  32  -3.929  -3.947  19.773
  282   HE22  GLN  32          1HE2      GLN  32  -2.466  -3.826  20.739
  283    H    LYS  33           H        LYS  33  -4.571  -5.986  15.043
  284    HA   LYS  33           HA       LYS  33  -3.003  -6.743  12.630
  285    HB2  LYS  33           1HB      LYS  33  -6.029  -6.776  12.982
  286    HB3  LYS  33           2HB      LYS  33  -5.266  -6.635  11.396
  287    HG2  LYS  33           1HG      LYS  33  -4.278  -8.835  11.580
  288    HG3  LYS  33           2HG      LYS  33  -4.747  -8.974  13.278
  289    HD2  LYS  33           1HD      LYS  33  -6.243 -10.300  11.937
  290    HD3  LYS  33           2HD      LYS  33  -7.115  -8.970  12.702
  291    HE2  LYS  33           1HE      LYS  33  -7.011  -7.685  10.559
  292    HE3  LYS  33           2HE      LYS  33  -6.153  -9.037   9.802
  293    HZ1  LYS  33           3HZ      LYS  33  -8.544  -9.111   9.333
  294    HZ2  LYS  33           1HZ      LYS  33  -8.124 -10.419  10.214
  295    HZ3  LYS  33           2HZ      LYS  33  -8.906  -9.170  10.923
  296    H    PHE  34           H        PHE  34  -3.220  -5.115  10.920
  297    HA   PHE  34           HA       PHE  34  -3.933  -2.382  11.906
  298    HB2  PHE  34           1HB      PHE  34  -1.332  -3.226  10.579
  299    HB3  PHE  34           2HB      PHE  34  -1.826  -1.565  10.869
  300    HD1  PHE  34           2HD      PHE  34  -2.109  -0.707  13.227
  301    HD2  PHE  34           1HD      PHE  34  -0.419  -4.578  12.371
  302    HE1  PHE  34           2HE      PHE  34  -1.175  -0.815  15.529
  303    HE2  PHE  34           1HE      PHE  34   0.522  -4.679  14.665
  304    HZ   PHE  34           HZ       PHE  34   0.141  -2.798  16.250
  305    H    MET  35           H        MET  35  -5.036  -1.222  10.592
  306    HA   MET  35           HA       MET  35  -5.308  -1.863   7.683
  307    HB2  MET  35           1HB      MET  35  -6.871   0.163   9.324
  308    HB3  MET  35           2HB      MET  35  -7.222  -0.417   7.692
  309    HG2  MET  35           1HG      MET  35  -7.510  -2.743   8.744
  310    HG3  MET  35           2HG      MET  35  -7.476  -1.931  10.308
  311    HE1  MET  35           3HE      MET  35 -10.700   0.342  10.124
  312    HE2  MET  35           1HE      MET  35  -9.207  -0.024  11.010
  313    HE3  MET  35           2HE      MET  35  -9.139   0.868   9.472
  314    H    CYS  36           H        CYS  36  -4.901  -0.174   6.166
  315    HA   CYS  36           HA       CYS  36  -3.508   2.243   7.132
  316    HB2  CYS  36           1HB      CYS  36  -1.811   0.431   6.918
  317    HB3  CYS  36           2HB      CYS  36  -2.258   0.240   5.208
  318    HG   CYS  36           HG       CYS  36  -1.374   3.115   6.629
  319    H    GLU  37           H        GLU  37  -3.372   3.909   5.704
  320    HA   GLU  37           HA       GLU  37  -4.688   3.712   3.063
  321    HB2  GLU  37           1HB      GLU  37  -5.195   5.871   5.153
  322    HB3  GLU  37           2HB      GLU  37  -5.705   5.948   3.464
  323    HG2  GLU  37           1HG      GLU  37  -7.094   3.910   3.798
  324    HG3  GLU  37           2HG      GLU  37  -6.614   3.861   5.494
  325    H    VAL  38           H        VAL  38  -3.741   5.108   1.511
  326    HA   VAL  38           HA       VAL  38  -1.548   6.902   2.432
  327    HB   VAL  38           HB       VAL  38  -0.561   4.752   1.643
  328   HG11  VAL  38          1HG1      VAL  38  -2.164   4.299  -0.229
  329   HG12  VAL  38          2HG1      VAL  38  -1.416   5.634  -1.135
  330   HG13  VAL  38          3HG1      VAL  38  -0.456   4.213  -0.701
  331   HG21  VAL  38          3HG2      VAL  38   1.199   5.802   0.266
  332   HG22  VAL  38          1HG2      VAL  38   0.181   7.209  -0.024
  333   HG23  VAL  38          2HG2      VAL  38   0.756   6.852   1.621
  334    H    ARG  39           H        ARG  39  -1.257   8.736   1.403
  335    HA   ARG  39           HA       ARG  39  -3.008   9.534  -0.881
  336    HB2  ARG  39           1HB      ARG  39  -2.666  10.889   1.832
  337    HB3  ARG  39           2HB      ARG  39  -3.389  11.685   0.427
  338    HG2  ARG  39           1HG      ARG  39  -5.152   9.988   0.315
  339    HG3  ARG  39           2HG      ARG  39  -4.484   9.136   1.711
  340    HD2  ARG  39           1HD      ARG  39  -5.463  12.022   1.807
  341    HD3  ARG  39           2HD      ARG  39  -6.468  10.626   2.164
  342    HE   ARG  39           HE       ARG  39  -5.276  10.160   4.131
  343   HH11  ARG  39          1HH1      ARG  39  -3.972  13.120   2.675
  344   HH12  ARG  39          2HH1      ARG  39  -3.215  13.600   4.163
  345   HH21  ARG  39          1HH2      ARG  39  -4.379  10.878   6.003
  346   HH22  ARG  39          2HH2      ARG  39  -3.418  12.338   6.013
  347    H    VAL  40           H        VAL  40  -2.276  11.456  -1.958
  348    HA   VAL  40           HA       VAL  40   0.508  12.385  -1.501
  349    HB   VAL  40           HB       VAL  40  -0.486  11.438  -4.226
  350   HG11  VAL  40          1HG1      VAL  40   1.053  13.340  -4.437
  351   HG12  VAL  40          2HG1      VAL  40   2.220  12.555  -3.351
  352   HG13  VAL  40          3HG1      VAL  40   1.865  11.863  -4.946
  353   HG21  VAL  40          3HG2      VAL  40   1.304   9.713  -4.093
  354   HG22  VAL  40          1HG2      VAL  40   1.645  10.200  -2.425
  355   HG23  VAL  40          2HG2      VAL  40   0.082   9.468  -2.844
  356    H    GLU  41           H        GLU  41   0.731  14.546  -1.914
  357    HA   GLU  41           HA       GLU  41  -1.572  16.183  -1.967
  358    HB2  GLU  41           1HB      GLU  41   0.623  16.776  -0.980
  359    HB3  GLU  41           2HB      GLU  41   1.308  16.949  -2.602
  360    HG2  GLU  41           1HG      GLU  41  -0.281  18.786  -3.086
  361    HG3  GLU  41           2HG      GLU  41  -1.050  18.555  -1.513
  362    H    GLY  42           H        GLY  42  -2.794  17.024  -3.539
  363    HA2  GLY  42           1HA      GLY  42  -3.329  17.938  -5.642
  364    HA3  GLY  42           2HA      GLY  42  -1.849  17.250  -6.348
  365    H    PHE  43           H        PHE  43  -3.338  14.806  -4.595
  366    HA   PHE  43           HA       PHE  43  -5.000  13.861  -6.901
  367    HB2  PHE  43           1HB      PHE  43  -3.169  12.241  -5.092
  368    HB3  PHE  43           2HB      PHE  43  -4.251  11.583  -6.307
  369    HD1  PHE  43           2HD      PHE  43  -1.139  13.529  -5.763
  370    HD2  PHE  43           1HD      PHE  43  -3.731  11.736  -8.706
  371    HE1  PHE  43           2HE      PHE  43   0.573  13.914  -7.505
  372    HE2  PHE  43           1HE      PHE  43  -1.995  12.087 -10.441
  373    HZ   PHE  43           HZ       PHE  43   0.156  13.187  -9.853
  374    H    ASN  44           H        ASN  44  -7.028  13.333  -6.434
  375    HA   ASN  44           HA       ASN  44  -8.011  13.862  -3.750
  376    HB2  ASN  44           1HB      ASN  44 -10.212  13.774  -4.769
  377    HB3  ASN  44           2HB      ASN  44  -9.118  14.764  -5.722
  378   HD21  ASN  44          2HD2      ASN  44  -9.055  14.336  -7.932
  379   HD22  ASN  44          1HD2      ASN  44  -9.655  12.855  -8.654
  380    H    TYR  45           H        TYR  45  -7.029  10.951  -5.238
  381    HA   TYR  45           HA       TYR  45  -8.925   9.195  -3.860
  382    HB2  TYR  45           1HB      TYR  45  -8.032   8.822  -6.161
  383    HB3  TYR  45           2HB      TYR  45  -6.431   8.565  -5.467
  384    HD1  TYR  45           2HD      TYR  45  -9.970   7.321  -5.333
  385    HD2  TYR  45           1HD      TYR  45  -5.797   6.356  -4.833
  386    HE1  TYR  45           2HE      TYR  45 -10.563   4.926  -5.040
  387    HE2  TYR  45           1HE      TYR  45  -6.385   3.953  -4.547
  388    HH   TYR  45           HH       TYR  45  -9.785   2.801  -4.669
  389    H    ALA  46           H        ALA  46  -8.247   7.433  -2.487
  390    HA   ALA  46           HA       ALA  46  -5.639   7.676  -1.115
  391    HB1  ALA  46           1HB      ALA  46  -7.295   8.808   0.351
  392    HB2  ALA  46           2HB      ALA  46  -8.301   7.346   0.341
  393    HB3  ALA  46           3HB      ALA  46  -6.685   7.306   1.079
  394    H    GLY  47           H        GLY  47  -4.624   5.803  -1.410
  395    HA2  GLY  47           1HA      GLY  47  -6.049   3.343  -2.218
  396    HA3  GLY  47           2HA      GLY  47  -4.290   3.544  -2.069
  397    H    MET  48           H        MET  48  -6.269   1.515  -0.995
  398    HA   MET  48           HA       MET  48  -5.797   1.826   1.955
  399    HB2  MET  48           1HB      MET  48  -8.143   0.499   0.545
  400    HB3  MET  48           2HB      MET  48  -7.925   0.717   2.285
  401    HG2  MET  48           1HG      MET  48  -7.915   3.233   1.868
  402    HG3  MET  48           2HG      MET  48  -8.325   2.890   0.195
  403    HE1  MET  48           3HE      MET  48 -11.102   2.316   3.851
  404    HE2  MET  48           1HE      MET  48  -9.616   1.362   3.687
  405    HE3  MET  48           2HE      MET  48  -9.525   3.130   3.864
  406    H    GLY  49           H        GLY  49  -5.229   0.113   3.186
  407    HA2  GLY  49           1HA      GLY  49  -4.923  -2.609   2.031
  408    HA3  GLY  49           2HA      GLY  49  -3.482  -1.783   2.629
  409    H    ASN  50           H        ASN  50  -4.178  -4.172   3.690
  410    HA   ASN  50           HA       ASN  50  -4.278  -3.501   6.493
  411    HB2  ASN  50           1HB      ASN  50  -6.616  -3.563   6.317
  412    HB3  ASN  50           2HB      ASN  50  -6.599  -4.926   5.190
  413   HD21  ASN  50          2HD2      ASN  50  -6.689  -7.023   6.003
  414   HD22  ASN  50          1HD2      ASN  50  -6.747  -7.367   7.722
  415    H    SER  51           H        SER  51  -3.559  -5.143   7.822
  416    HA   SER  51           HA       SER  51  -2.867  -7.806   6.937
  417    HB2  SER  51           1HB      SER  51  -1.179  -6.370   5.654
  418    HB3  SER  51           2HB      SER  51  -0.462  -5.973   7.218
  419    HG   SER  51           HG       SER  51   0.123  -7.989   5.765
  420    H    THR  52           H        THR  52  -0.945  -8.626   8.501
  421    HA   THR  52           HA       THR  52  -1.869  -8.322  11.288
  422    HB   THR  52           HB       THR  52   0.418  -9.959  10.123
  423    HG1  THR  52           1HG      THR  52  -1.460 -10.745   9.330
  424   HG21  THR  52          3HG2      THR  52   0.075 -11.322  12.220
  425   HG22  THR  52          1HG2      THR  52   0.772  -9.730  12.506
  426   HG23  THR  52          2HG2      THR  52  -0.950 -10.001  12.847
  427    H    ASN  53           H        ASN  53   0.525  -6.845   9.255
  428    HA   ASN  53           HA       ASN  53   1.660  -5.402  11.589
  429    HB2  ASN  53           1HB      ASN  53   3.902  -5.761  10.919
  430    HB3  ASN  53           2HB      ASN  53   3.136  -7.341  10.990
  431   HD21  ASN  53          2HD2      ASN  53   3.095  -8.604   9.061
  432   HD22  ASN  53          1HD2      ASN  53   3.751  -8.015   7.546
  433    H    LYS  54           H        LYS  54   2.695  -3.416  11.127
  434    HA   LYS  54           HA       LYS  54   1.121  -1.756   9.443
  435    HB2  LYS  54           1HB      LYS  54   3.760  -1.268  10.896
  436    HB3  LYS  54           2HB      LYS  54   2.801  -0.001  10.129
  437    HG2  LYS  54           1HG      LYS  54   0.860  -0.599  11.601
  438    HG3  LYS  54           2HG      LYS  54   1.877  -1.794  12.424
  439    HD2  LYS  54           1HD      LYS  54   3.461   0.005  13.081
  440    HD3  LYS  54           2HD      LYS  54   2.422   1.206  12.281
  441    HE2  LYS  54           1HE      LYS  54   0.546   0.588  13.789
  442    HE3  LYS  54           2HE      LYS  54   1.565  -0.626  14.570
  443    HZ1  LYS  54           3HZ      LYS  54   1.518   1.436  15.843
  444    HZ2  LYS  54           1HZ      LYS  54   3.035   1.168  15.305
  445    HZ3  LYS  54           2HZ      LYS  54   2.098   2.297  14.582
  446    H    LYS  55           H        LYS  55   4.385  -3.094   8.818
  447    HA   LYS  55           HA       LYS  55   4.930  -1.386   6.536
  448    HB2  LYS  55           1HB      LYS  55   6.132  -3.972   7.603
  449    HB3  LYS  55           2HB      LYS  55   6.613  -3.312   6.050
  450    HG2  LYS  55           1HG      LYS  55   8.207  -2.611   7.658
  451    HG3  LYS  55           2HG      LYS  55   7.316  -1.195   7.104
  452    HD2  LYS  55           1HD      LYS  55   6.036  -1.129   9.199
  453    HD3  LYS  55           2HD      LYS  55   6.780  -2.661   9.729
  454    HE2  LYS  55           1HE      LYS  55   9.021  -1.572   9.656
  455    HE3  LYS  55           2HE      LYS  55   8.270  -0.055   9.149
  456    HZ1  LYS  55           3HZ      LYS  55   8.685  -0.091  11.536
  457    HZ2  LYS  55           1HZ      LYS  55   7.077  -0.011  11.270
  458    HZ3  LYS  55           2HZ      LYS  55   7.764  -1.423  11.737
  459    H    ASP  56           H        ASP  56   3.586  -4.697   6.770
  460    HA   ASP  56           HA       ASP  56   3.242  -4.936   3.898
  461    HB2  ASP  56           1HB      ASP  56   3.554  -6.824   5.506
  462    HB3  ASP  56           2HB      ASP  56   1.934  -6.520   6.125
  463    H    ALA  57           H        ALA  57   1.143  -3.778   6.547
  464    HA   ALA  57           HA       ALA  57  -1.224  -3.451   4.933
  465    HB1  ALA  57           1HB      ALA  57  -1.196  -3.428   7.423
  466    HB2  ALA  57           2HB      ALA  57  -0.341  -1.871   7.390
  467    HB3  ALA  57           3HB      ALA  57  -1.989  -2.002   6.738
  468    H    GLN  58           H        GLN  58   1.494  -1.177   5.632
  469    HA   GLN  58           HA       GLN  58   0.637   0.927   3.869
  470    HB2  GLN  58           1HB      GLN  58   3.408   0.023   4.759
  471    HB3  GLN  58           2HB      GLN  58   3.116   1.419   3.722
  472    HG2  GLN  58           1HG      GLN  58   1.800   2.514   5.467
  473    HG3  GLN  58           2HG      GLN  58   2.063   1.157   6.557
  474   HE21  GLN  58          2HE2      GLN  58   2.857   3.672   7.425
  475   HE22  GLN  58          1HE2      GLN  58   4.608   3.779   7.363
  476    H    SER  59           H        SER  59   2.588  -2.039   3.202
  477    HA   SER  59           HA       SER  59   3.104  -1.383   0.460
  478    HB2  SER  59           1HB      SER  59   2.870  -4.115   1.777
  479    HB3  SER  59           2HB      SER  59   3.539  -3.797   0.175
  480    HG   SER  59           HG       SER  59   4.552  -2.873   2.682
  481    H    ASN  60           H        ASN  60   0.271  -2.965   1.952
  482    HA   ASN  60           HA       ASN  60  -1.010  -3.511  -0.618
  483    HB2  ASN  60           1HB      ASN  60  -1.916  -3.587   2.271
  484    HB3  ASN  60           2HB      ASN  60  -3.074  -3.711   0.943
  485   HD21  ASN  60          2HD2      ASN  60  -0.403  -5.389   2.569
  486   HD22  ASN  60          1HD2      ASN  60  -0.701  -6.922   1.775
  487    H    ALA  61           H        ALA  61  -1.189  -0.802   1.747
  488    HA   ALA  61           HA       ALA  61  -3.202   0.700   0.344
  489    HB1  ALA  61           1HB      ALA  61  -2.494   1.117   2.701
  490    HB2  ALA  61           2HB      ALA  61  -0.912   1.683   2.112
  491    HB3  ALA  61           3HB      ALA  61  -2.386   2.577   1.701
  492    H    ALA  62           H        ALA  62   0.372   0.745   0.101
  493    HA   ALA  62           HA       ALA  62   0.581   2.665  -1.986
  494    HB1  ALA  62           1HB      ALA  62   2.439   1.903  -0.541
  495    HB2  ALA  62           2HB      ALA  62   2.381   0.301  -1.302
  496    HB3  ALA  62           3HB      ALA  62   2.834   1.725  -2.265
  497    H    ARG  63           H        ARG  63   0.413  -0.942  -2.210
  498    HA   ARG  63           HA       ARG  63   0.468  -1.189  -4.993
  499    HB2  ARG  63           1HB      ARG  63   0.529  -3.081  -3.387
  500    HB3  ARG  63           2HB      ARG  63  -1.152  -2.790  -2.968
  501    HG2  ARG  63           1HG      ARG  63  -1.038  -4.681  -4.425
  502    HG3  ARG  63           2HG      ARG  63  -1.840  -3.370  -5.285
  503    HD2  ARG  63           1HD      ARG  63   0.303  -2.889  -6.490
  504    HD3  ARG  63           2HD      ARG  63   1.062  -4.246  -5.625
  505    HE   ARG  63           HE       ARG  63  -1.303  -5.199  -6.859
  506   HH11  ARG  63          1HH1      ARG  63   1.918  -4.127  -7.870
  507   HH12  ARG  63          2HH1      ARG  63   1.816  -4.962  -9.386
  508   HH21  ARG  63          1HH2      ARG  63  -1.346  -6.294  -8.810
  509   HH22  ARG  63          2HH2      ARG  63   0.001  -6.199  -9.898
  510    H    ASP  64           H        ASP  64  -2.398  -0.464  -2.952
  511    HA   ASP  64           HA       ASP  64  -4.221  -0.418  -5.193
  512    HB2  ASP  64           1HB      ASP  64  -4.834  -0.959  -2.863
  513    HB3  ASP  64           2HB      ASP  64  -4.506   0.711  -2.395
  514    H    PHE  65           H        PHE  65  -2.374   2.196  -3.534
  515    HA   PHE  65           HA       PHE  65  -3.635   4.285  -5.113
  516    HB2  PHE  65           1HB      PHE  65  -2.580   4.626  -2.877
  517    HB3  PHE  65           2HB      PHE  65  -1.003   4.421  -3.620
  518    HD1  PHE  65           1HD      PHE  65  -3.944   6.623  -3.245
  519    HD2  PHE  65           2HD      PHE  65  -0.150   6.153  -5.223
  520    HE1  PHE  65           1HE      PHE  65  -4.001   9.008  -3.917
  521    HE2  PHE  65           2HE      PHE  65  -0.196   8.555  -5.864
  522    HZ   PHE  65           HZ       PHE  65  -2.129   9.973  -5.237
  523    H    VAL  66           H        VAL  66  -0.613   2.398  -5.471
  524    HA   VAL  66           HA       VAL  66   0.313   3.689  -7.872
  525    HB   VAL  66           HB       VAL  66   0.696   0.862  -6.821
  526   HG11  VAL  66          1HG1      VAL  66   1.025   0.647  -9.210
  527   HG12  VAL  66          2HG1      VAL  66   1.943   2.168  -9.276
  528   HG13  VAL  66          3HG1      VAL  66   2.620   0.743  -8.459
  529   HG21  VAL  66          3HG2      VAL  66   2.883   1.656  -6.181
  530   HG22  VAL  66          1HG2      VAL  66   2.636   3.203  -7.033
  531   HG23  VAL  66          2HG2      VAL  66   1.703   2.825  -5.578
  532    H    ASN  67           H        ASN  67  -1.885   0.909  -7.348
  533    HA   ASN  67           HA       ASN  67  -2.580   0.535 -10.101
  534    HB2  ASN  67           1HB      ASN  67  -3.924  -0.166  -7.509
  535    HB3  ASN  67           2HB      ASN  67  -4.884  -0.175  -8.987
  536   HD21  ASN  67          2HD2      ASN  67  -1.998  -1.629  -7.479
  537   HD22  ASN  67          1HD2      ASN  67  -1.954  -3.016  -8.571
  538    H    TYR  68           H        TYR  68  -4.229   2.746  -7.693
  539    HA   TYR  68           HA       TYR  68  -5.952   4.014  -9.524
  540    HB2  TYR  68           1HB      TYR  68  -6.271   4.590  -7.329
  541    HB3  TYR  68           2HB      TYR  68  -4.586   4.890  -7.009
  542    HD1  TYR  68           2HD      TYR  68  -7.549   6.306  -8.821
  543    HD2  TYR  68           1HD      TYR  68  -3.663   7.065  -7.106
  544    HE1  TYR  68           2HE      TYR  68  -7.893   8.747  -9.123
  545    HE2  TYR  68           1HE      TYR  68  -3.997   9.500  -7.416
  546    HH   TYR  68           HH       TYR  68  -7.036  10.854  -8.782
  547    H    LEU  69           H        LEU  69  -2.487   4.852  -8.998
  548    HA   LEU  69           HA       LEU  69  -2.464   6.933 -10.968
  549    HB2  LEU  69           1HB      LEU  69  -0.198   5.165 -10.005
  550    HB3  LEU  69           2HB      LEU  69  -0.030   6.628 -10.970
  551    HG   LEU  69           HG       LEU  69  -1.239   6.632  -8.182
  552   HD11  LEU  69          1HD1      LEU  69   1.083   5.865  -8.091
  553   HD12  LEU  69          2HD1      LEU  69   1.594   7.219  -9.114
  554   HD13  LEU  69          3HD1      LEU  69   0.977   7.521  -7.481
  555   HD21  LEU  69          3HD2      LEU  69  -0.768   9.068  -8.304
  556   HD22  LEU  69          1HD2      LEU  69  -0.282   8.877 -10.001
  557   HD23  LEU  69          2HD2      LEU  69  -1.958   8.553  -9.500
  558    H    VAL  70           H        VAL  70  -2.395   3.455 -11.469
  559    HA   VAL  70           HA       VAL  70  -1.802   3.757 -14.346
  560    HB   VAL  70           HB       VAL  70  -2.838   1.316 -12.860
  561   HG11  VAL  70          1HG1      VAL  70  -3.360   1.138 -15.251
  562   HG12  VAL  70          2HG1      VAL  70  -1.691   1.587 -15.674
  563   HG13  VAL  70          3HG1      VAL  70  -2.032   0.051 -14.849
  564   HG21  VAL  70          3HG2      VAL  70  -0.553   0.456 -12.986
  565   HG22  VAL  70          1HG2      VAL  70   0.000   1.944 -13.780
  566   HG23  VAL  70          2HG2      VAL  70  -0.565   1.983 -12.102
  567    H    ARG  71           H        ARG  71  -4.696   3.345 -12.281
  568    HA   ARG  71           HA       ARG  71  -6.655   3.182 -14.344
  569    HB2  ARG  71           1HB      ARG  71  -6.966   4.471 -11.606
  570    HB3  ARG  71           2HB      ARG  71  -8.274   4.014 -12.678
  571    HG2  ARG  71           1HG      ARG  71  -7.768   1.642 -12.432
  572    HG3  ARG  71           2HG      ARG  71  -6.319   2.005 -11.508
  573    HD2  ARG  71           1HD      ARG  71  -7.980   3.289  -9.903
  574    HD3  ARG  71           2HD      ARG  71  -9.204   2.282 -10.666
  575    HE   ARG  71           HE       ARG  71  -7.591   0.338  -9.992
  576   HH11  ARG  71          1HH1      ARG  71  -8.258   3.149  -7.922
  577   HH12  ARG  71          2HH1      ARG  71  -7.814   2.278  -6.481
  578   HH21  ARG  71          1HH2      ARG  71  -7.117  -0.703  -8.027
  579   HH22  ARG  71          2HH2      ARG  71  -7.138   0.208  -6.536
  580    H    ILE  72           H        ILE  72  -5.009   6.024 -12.987
  581    HA   ILE  72           HA       ILE  72  -6.407   7.791 -14.964
  582    HB   ILE  72           HB       ILE  72  -5.673   9.670 -13.715
  583   HG12  ILE  72          1HG1      ILE  72  -4.382   7.927 -11.599
  584   HG13  ILE  72          2HG1      ILE  72  -3.441   8.600 -12.924
  585   HG21  ILE  72          1HG2      ILE  72  -7.739   8.447 -13.033
  586   HG22  ILE  72          2HG2      ILE  72  -6.803   7.598 -11.784
  587   HG23  ILE  72          3HG2      ILE  72  -7.008   9.358 -11.708
  588   HD11  ILE  72          3HD1      ILE  72  -3.271  10.017 -10.956
  589   HD12  ILE  72          1HD1      ILE  72  -4.120  10.887 -12.249
  590   HD13  ILE  72          2HD1      ILE  72  -5.030  10.204 -10.885
  591    H    ASN  73           H        ASN  73  -3.791   5.929 -15.188
  592    HA   ASN  73           HA       ASN  73  -2.066   5.786 -16.565
  593    HB2  ASN  73           1HB      ASN  73  -3.946   6.471 -18.124
  594    HB3  ASN  73           2HB      ASN  73  -3.268   8.098 -18.120
  595   HD21  ASN  73          2HD2      ASN  73  -2.601   8.182 -20.294
  596   HD22  ASN  73          1HD2      ASN  73  -1.401   7.089 -20.961
  597    H    GLU  74           H        GLU  74  -1.739   7.656 -14.287
  598    HA   GLU  74           HA       GLU  74   0.487   9.424 -15.155
  599    HB2  GLU  74           1HB      GLU  74  -0.856   8.938 -12.472
  600    HB3  GLU  74           2HB      GLU  74   0.555   9.974 -12.683
  601    HG2  GLU  74           1HG      GLU  74  -2.158  10.384 -14.001
  602    HG3  GLU  74           2HG      GLU  74  -1.508  11.291 -12.639
  603    H    VAL  75           H        VAL  75   0.059   6.193 -14.173
  604    HA   VAL  75           HA       VAL  75   3.021   5.789 -14.199
  605    HB   VAL  75           HB       VAL  75   0.995   4.377 -12.387
  606   HG11  VAL  75          1HG1      VAL  75   2.566   2.679 -13.230
  607   HG12  VAL  75          2HG1      VAL  75   3.948   3.757 -12.860
  608   HG13  VAL  75          3HG1      VAL  75   2.965   3.061 -11.557
  609   HG21  VAL  75          3HG2      VAL  75   2.323   5.148 -10.533
  610   HG22  VAL  75          1HG2      VAL  75   3.595   5.718 -11.622
  611   HG23  VAL  75          2HG2      VAL  75   2.050   6.576 -11.549
  612    H    LYS  76           H        LYS  76   3.612   4.184 -15.666
  613    HA   LYS  76           HA       LYS  76   1.441   2.741 -17.126
  614    HB2  LYS  76           1HB      LYS  76   4.458   2.779 -17.563
  615    HB3  LYS  76           2HB      LYS  76   3.283   1.873 -18.515
  616    HG2  LYS  76           1HG      LYS  76   2.155   4.174 -19.000
  617    HG3  LYS  76           2HG      LYS  76   3.633   4.884 -18.336
  618    HD2  LYS  76           1HD      LYS  76   4.053   4.788 -20.662
  619    HD3  LYS  76           2HD      LYS  76   4.913   3.381 -20.017
  620    HE2  LYS  76           1HE      LYS  76   2.691   2.074 -20.542
  621    HE3  LYS  76           2HE      LYS  76   2.245   3.496 -21.491
  622    HZ1  LYS  76           3HZ      LYS  76   3.299   1.939 -22.930
  623    HZ2  LYS  76           1HZ      LYS  76   4.413   3.118 -22.710
  624    HZ3  LYS  76           2HZ      LYS  76   4.543   1.674 -21.915
  625    H    SER  77           H        SER  77   1.048   0.539 -16.845
  626    HA   SER  77           HA       SER  77   1.744  -0.743 -14.420
  627    HB2  SER  77           1HB      SER  77   0.898  -2.799 -15.540
  628    HB3  SER  77           2HB      SER  77  -0.189  -1.406 -15.646
  629    HG   SER  77           HG       SER  77   0.048  -2.504 -17.683
  630    H    GLU  78           H        GLU  78   3.403  -0.869 -17.549
  631    HA   GLU  78           HA       GLU  78   5.311  -2.855 -17.182
  632    HB2  GLU  78           1HB      GLU  78   5.700  -0.113 -18.455
  633    HB3  GLU  78           2HB      GLU  78   6.740  -1.518 -18.704
  634    HG2  GLU  78           1HG      GLU  78   4.814  -2.760 -19.684
  635    HG3  GLU  78           2HG      GLU  78   3.810  -1.314 -19.517
  636    H    GLU  79           H        GLU  79   5.230   0.255 -15.489
  637    HA   GLU  79           HA       GLU  79   8.018   0.068 -14.548
  638    HB2  GLU  79           1HB      GLU  79   5.748   1.963 -13.813
  639    HB3  GLU  79           2HB      GLU  79   7.420   2.103 -13.289
  640    HG2  GLU  79           1HG      GLU  79   8.159   2.408 -15.629
  641    HG3  GLU  79           2HG      GLU  79   6.487   2.267 -16.185
  642    H    VAL  80           H        VAL  80   4.949  -1.150 -13.507
  643    HA   VAL  80           HA       VAL  80   5.352  -0.723 -10.654
  644    HB   VAL  80           HB       VAL  80   3.185  -2.303 -12.089
  645   HG11  VAL  80          1HG1      VAL  80   3.317  -2.998  -9.753
  646   HG12  VAL  80          2HG1      VAL  80   3.344  -1.309  -9.213
  647   HG13  VAL  80          3HG1      VAL  80   1.892  -1.982  -9.983
  648   HG21  VAL  80          3HG2      VAL  80   1.777  -0.303 -11.699
  649   HG22  VAL  80          1HG2      VAL  80   3.186   0.559 -11.037
  650   HG23  VAL  80          2HG2      VAL  80   3.144   0.079 -12.743
  651    HA   PRO  81           HA       PRO  81   7.480  -4.693 -10.142
  652    HB2  PRO  81           1HB      PRO  81   7.653  -4.801  -7.413
  653    HB3  PRO  81           2HB      PRO  81   8.659  -3.712  -8.415
  654    HG2  PRO  81           1HG      PRO  81   6.092  -3.050  -6.948
  655    HG3  PRO  81           2HG      PRO  81   7.634  -2.139  -6.946
  656    HD2  PRO  81           1HD      PRO  81   5.559  -1.449  -8.572
  657    HD3  PRO  81           2HD      PRO  81   7.251  -1.304  -9.127
  658    H    ALA  82           H        ALA  82   6.776  -6.783  -9.952
  659    HA   ALA  82           HA       ALA  82   3.940  -7.211  -9.739
  660    HB1  ALA  82           1HB      ALA  82   5.350  -8.397 -11.358
  661    HB2  ALA  82           2HB      ALA  82   6.240  -9.188 -10.034
  662    HB3  ALA  82           3HB      ALA  82   4.515  -9.537 -10.285
  663    H    VAL  83           H        VAL  83   2.772  -7.606  -7.986
  664    HA   VAL  83           HA       VAL  83   3.803  -7.937  -5.408
  665    HB   VAL  83           HB       VAL  83   1.592  -6.951  -6.402
  666   HG11  VAL  83          1HG1      VAL  83   0.652  -9.084  -7.261
  667   HG12  VAL  83          2HG1      VAL  83   0.474  -9.656  -5.585
  668   HG13  VAL  83          3HG1      VAL  83  -0.420  -8.229  -6.139
  669   HG21  VAL  83          3HG2      VAL  83   0.584  -6.912  -4.220
  670   HG22  VAL  83          1HG2      VAL  83   1.641  -8.243  -3.679
  671   HG23  VAL  83          2HG2      VAL  83   2.340  -6.673  -4.159
  672    H    GLY  84           H        GLY  84   3.397 -10.370  -7.740
  673    HA2  GLY  84           1HA      GLY  84   4.356 -12.609  -6.810
  674    HA3  GLY  84           2HA      GLY  84   2.872 -12.598  -5.851
  675    H    ILE  85           H        ILE  85   2.349 -14.549  -6.954
  676    HA   ILE  85           HA       ILE  85   1.574 -14.454  -9.825
  677    HB   ILE  85           HB       ILE  85   1.374 -16.699  -7.773
  678   HG12  ILE  85          1HG1      ILE  85   3.301 -16.284 -10.114
  679   HG13  ILE  85          2HG1      ILE  85   3.713 -16.093  -8.411
  680   HG21  ILE  85          1HG2      ILE  85  -0.388 -16.888  -9.523
  681   HG22  ILE  85          2HG2      ILE  85   0.855 -16.750 -10.788
  682   HG23  ILE  85          3HG2      ILE  85   0.809 -18.152  -9.697
  683   HD11  ILE  85          3HD1      ILE  85   4.547 -18.209  -9.108
  684   HD12  ILE  85          1HD1      ILE  85   3.167 -18.514  -8.033
  685   HD13  ILE  85          2HD1      ILE  85   2.995 -18.694  -9.799
  686    H    VAL  86           H        VAL  86  -0.465 -14.040 -10.497
  687    HA   VAL  86           HA       VAL  86  -2.723 -13.929  -8.557
  688    HB   VAL  86           HB       VAL  86  -1.959 -11.678 -10.464
  689   HG11  VAL  86          1HG1      VAL  86  -4.413 -11.866 -10.224
  690   HG12  VAL  86          2HG1      VAL  86  -4.250 -11.856  -8.454
  691   HG13  VAL  86          3HG1      VAL  86  -3.813 -10.424  -9.407
  692   HG21  VAL  86          3HG2      VAL  86  -1.644 -10.308  -8.410
  693   HG22  VAL  86          1HG2      VAL  86  -1.874 -11.761  -7.415
  694   HG23  VAL  86          2HG2      VAL  86  -0.478 -11.624  -8.508
  695    HA   PRO  87           HA       PRO  87  -4.412 -16.062 -12.110
  696    HB2  PRO  87           1HB      PRO  87  -6.999 -16.468 -11.309
  697    HB3  PRO  87           2HB      PRO  87  -5.604 -17.306 -10.562
  698    HG2  PRO  87           1HG      PRO  87  -7.010 -14.794  -9.587
  699    HG3  PRO  87           2HG      PRO  87  -6.612 -16.272  -8.649
  700    HD2  PRO  87           1HD      PRO  87  -5.012 -14.076  -8.600
  701    HD3  PRO  87           2HD      PRO  87  -4.315 -15.724  -8.580
  702    HA   PRO  88           HA       PRO  88  -6.416 -12.973 -14.632
  703    HB2  PRO  88           1HB      PRO  88  -7.646 -14.446 -16.575
  704    HB3  PRO  88           2HB      PRO  88  -5.865 -14.371 -16.413
  705    HG2  PRO  88           1HG      PRO  88  -7.743 -16.503 -15.332
  706    HG3  PRO  88           2HG      PRO  88  -6.257 -16.735 -16.309
  707    HD2  PRO  88           1HD      PRO  88  -6.235 -16.920 -13.592
  708    HD3  PRO  88           2HD      PRO  88  -4.861 -16.200 -14.483
  709    HA   PRO  89           HA       PRO  89 -10.633 -12.492 -13.253
  710    HB2  PRO  89           1HB      PRO  89 -11.814 -10.967 -15.194
  711    HB3  PRO  89           2HB      PRO  89 -10.541 -10.346 -14.099
  712    HG2  PRO  89           1HG      PRO  89 -10.201 -11.437 -16.915
  713    HG3  PRO  89           2HG      PRO  89  -9.574  -9.894 -16.246
  714    HD2  PRO  89           1HD      PRO  89  -8.021 -12.113 -16.372
  715    HD3  PRO  89           2HD      PRO  89  -7.927 -11.015 -14.964
  716    H    SER  90           H        SER  90 -10.005 -14.218 -16.229
  717    HA   SER  90           HA       SER  90 -12.713 -15.337 -16.485
  718    HB2  SER  90           1HB      SER  90 -11.591 -16.693 -18.262
  719    HB3  SER  90           2HB      SER  90 -11.457 -14.944 -18.493
  720    HG   SER  90           HG       SER  90  -9.447 -16.057 -18.836
  721    H    GLY  91           H        GLY  91 -10.301 -15.824 -14.258
  722    HA2  GLY  91           1HA      GLY  91 -10.265 -18.745 -14.089
  723    HA3  GLY  91           2HA      GLY  91  -9.540 -17.581 -12.963
  724    HA   PRO  92           HA       PRO  92 -13.347 -19.617 -11.099
  725    HB2  PRO  92           1HB      PRO  92 -12.190 -20.974  -9.030
  726    HB3  PRO  92           2HB      PRO  92 -12.236 -21.614 -10.701
  727    HG2  PRO  92           1HG      PRO  92  -9.968 -20.111  -9.349
  728    HG3  PRO  92           2HG      PRO  92  -9.884 -21.664 -10.244
  729    HD2  PRO  92           1HD      PRO  92  -9.287 -19.288 -11.431
  730    HD3  PRO  92           2HD      PRO  92 -10.138 -20.581 -12.329
  731    H    SER  93           H        SER  93 -14.285 -19.269  -8.948
  732    HA   SER  93           HA       SER  93 -13.116 -17.389  -7.063
  733    HB2  SER  93           1HB      SER  93 -13.706 -15.871  -8.969
  734    HB3  SER  93           2HB      SER  93 -15.396 -16.362  -8.795
  735    HG   SER  93           HG       SER  93 -14.904 -14.395  -7.670
  736    H    SER  94           H        SER  94 -16.204 -18.827  -8.286
  737    HA   SER  94           HA       SER  94 -16.850 -19.877  -5.633
  738    HB2  SER  94           1HB      SER  94 -19.018 -18.742  -5.485
  739    HB3  SER  94           2HB      SER  94 -17.683 -17.588  -5.426
  740    HG   SER  94           HG       SER  94 -19.383 -16.882  -6.818
  741    H    GLY  95           H        GLY  95 -18.885 -21.167  -5.668
  742    HA2  GLY  95           1HA      GLY  95 -20.261 -21.998  -8.002
  743    HA3  GLY  95           2HA      GLY  95 -18.892 -23.089  -7.780
  Start of MODEL    6
    1    H1   GLY  -3           1H       GLY  -3  20.741   4.532   8.995
    2    H2   GLY  -3           2H       GLY  -3  21.315   3.253   9.838
    3    H3   GLY  -3           3H       GLY  -3  21.930   3.600   8.358
    4    HA2  GLY  -3           1HA      GLY  -3  19.844   3.088   7.287
    5    HA3  GLY  -3           2HA      GLY  -3  20.457   1.705   8.212
    6    H    SER  -2           H        SER  -2  18.093   1.115   8.016
    7    HA   SER  -2           HA       SER  -2  16.654   1.686  10.475
    8    HB2  SER  -2           1HB      SER  -2  14.663   2.651   9.463
    9    HB3  SER  -2           2HB      SER  -2  16.051   3.695   9.160
   10    HG   SER  -2           HG       SER  -2  14.807   3.432   7.263
   11    H    SER  -1           H        SER  -1  14.478   0.514  10.478
   12    HA   SER  -1           HA       SER  -1  14.862  -2.197   9.478
   13    HB2  SER  -1           1HB      SER  -1  12.569  -1.016  11.082
   14    HB3  SER  -1           2HB      SER  -1  12.958  -2.733  10.881
   15    HG   SER  -1           HG       SER  -1  13.746  -1.902  12.880
   16    H    GLY   0           H        GLY   0  13.912   0.205   7.622
   17    HA2  GLY   0           1HA      GLY   0  11.300  -0.618   6.633
   18    HA3  GLY   0           2HA      GLY   0  12.383   0.581   5.908
   19    H    SER   1           H        SER   1  10.776  -1.768   4.839
   20    HA   SER   1           HA       SER   1  12.773  -2.821   2.944
   21    HB2  SER   1           1HB      SER   1  12.388  -5.170   3.554
   22    HB3  SER   1           2HB      SER   1  13.138  -4.264   4.867
   23    HG   SER   1           HG       SER   1  11.300  -5.720   5.394
   24    H    SER   2           H        SER   2   9.733  -1.592   3.173
   25    HA   SER   2           HA       SER   2   8.269  -3.583   1.612
   26    HB2  SER   2           1HB      SER   2   6.545  -1.628   1.730
   27    HB3  SER   2           2HB      SER   2   6.894  -2.637   3.129
   28    HG   SER   2           HG       SER   2   6.914  -0.576   3.855
   29    H    GLY   3           H        GLY   3   8.620  -3.805  -0.493
   30    HA2  GLY   3           1HA      GLY   3  10.151  -1.925  -2.002
   31    HA3  GLY   3           2HA      GLY   3   9.402  -3.415  -2.614
   32    H    ILE   4           H        ILE   4   6.677  -2.766  -2.239
   33    HA   ILE   4           HA       ILE   4   6.227  -0.894  -4.445
   34    HB   ILE   4           HB       ILE   4   4.871  -2.899  -4.227
   35   HG12  ILE   4          1HG1      ILE   4   2.616  -1.980  -4.456
   36   HG13  ILE   4          2HG1      ILE   4   3.137  -0.415  -3.843
   37   HG21  ILE   4          1HG2      ILE   4   4.790  -3.095  -1.758
   38   HG22  ILE   4          2HG2      ILE   4   3.735  -1.666  -1.693
   39   HG23  ILE   4          3HG2      ILE   4   3.179  -3.160  -2.471
   40   HD11  ILE   4          3HD1      ILE   4   2.902  -0.475  -6.302
   41   HD12  ILE   4          1HD1      ILE   4   4.580  -0.147  -5.849
   42   HD13  ILE   4          2HD1      ILE   4   4.102  -1.773  -6.397
   43    H    LYS   5           H        LYS   5   6.143  -0.637  -0.962
   44    HA   LYS   5           HA       LYS   5   4.981   2.008  -0.767
   45    HB2  LYS   5           1HB      LYS   5   5.323   0.222   1.009
   46    HB3  LYS   5           2HB      LYS   5   7.026   0.629   1.023
   47    HG2  LYS   5           1HG      LYS   5   4.718   2.440   1.798
   48    HG3  LYS   5           2HG      LYS   5   5.753   1.568   2.899
   49    HD2  LYS   5           1HD      LYS   5   6.526   3.934   1.168
   50    HD3  LYS   5           2HD      LYS   5   6.409   3.869   2.910
   51    HE2  LYS   5           1HE      LYS   5   8.503   2.447   1.194
   52    HE3  LYS   5           2HE      LYS   5   8.743   3.890   2.176
   53    HZ1  LYS   5           3HZ      LYS   5   9.534   2.007   3.377
   54    HZ2  LYS   5           1HZ      LYS   5   8.175   2.497   4.142
   55    HZ3  LYS   5           2HZ      LYS   5   8.153   1.160   3.181
   56    H    ASN   6           H        ASN   6   8.378   0.830  -0.975
   57    HA   ASN   6           HA       ASN   6   9.568   3.414  -1.256
   58    HB2  ASN   6           1HB      ASN   6  10.765   1.325  -0.607
   59    HB3  ASN   6           2HB      ASN   6  10.552   0.715  -2.250
   60   HD21  ASN   6          2HD2      ASN   6  12.439   0.930  -3.429
   61   HD22  ASN   6          1HD2      ASN   6  13.543   2.284  -3.283
   62    H    PHE   7           H        PHE   7   8.057   1.271  -3.683
   63    HA   PHE   7           HA       PHE   7   9.017   2.669  -6.004
   64    HB2  PHE   7           1HB      PHE   7   8.082   0.400  -6.095
   65    HB3  PHE   7           2HB      PHE   7   6.519   1.007  -5.578
   66    HD1  PHE   7           2HD      PHE   7   8.960   0.999  -8.382
   67    HD2  PHE   7           1HD      PHE   7   4.995   2.091  -7.094
   68    HE1  PHE   7           2HE      PHE   7   8.308   1.430 -10.739
   69    HE2  PHE   7           1HE      PHE   7   4.350   2.532  -9.446
   70    HZ   PHE   7           HZ       PHE   7   5.999   2.191 -11.278
   71    H    LEU   8           H        LEU   8   5.940   3.027  -4.115
   72    HA   LEU   8           HA       LEU   8   4.990   5.264  -5.627
   73    HB2  LEU   8           1HB      LEU   8   3.603   3.898  -4.078
   74    HB3  LEU   8           2HB      LEU   8   4.525   4.532  -2.706
   75    HG   LEU   8           HG       LEU   8   3.671   6.775  -3.064
   76   HD11  LEU   8          1HD1      LEU   8   3.468   6.863  -5.522
   77   HD12  LEU   8          2HD1      LEU   8   2.157   5.664  -5.471
   78   HD13  LEU   8          3HD1      LEU   8   1.940   7.281  -4.760
   79   HD21  LEU   8          3HD2      LEU   8   1.290   6.373  -2.570
   80   HD22  LEU   8          1HD2      LEU   8   1.428   4.713  -3.194
   81   HD23  LEU   8          2HD2      LEU   8   2.313   5.194  -1.734
   82    H    TYR   9           H        TYR   9   7.061   5.117  -2.700
   83    HA   TYR   9           HA       TYR   9   7.329   7.908  -2.353
   84    HB2  TYR   9           1HB      TYR   9   7.935   6.073  -0.741
   85    HB3  TYR   9           2HB      TYR   9   9.382   5.765  -1.691
   86    HD1  TYR   9           1HD      TYR   9  11.212   7.493  -1.793
   87    HD2  TYR   9           2HD      TYR   9   7.766   7.945   0.760
   88    HE1  TYR   9           1HE      TYR   9  12.387   9.280  -0.528
   89    HE2  TYR   9           2HE      TYR   9   8.937   9.735   2.030
   90    HH   TYR   9           HH       TYR   9  12.267  10.796   1.202
   91    H    ALA  10           H        ALA  10   9.368   5.688  -4.307
   92    HA   ALA  10           HA       ALA  10  11.193   7.704  -5.245
   93    HB1  ALA  10           1HB      ALA  10  11.704   5.285  -5.207
   94    HB2  ALA  10           2HB      ALA  10  10.430   4.984  -6.410
   95    HB3  ALA  10           3HB      ALA  10  11.860   5.942  -6.847
   96    H    TRP  11           H        TRP  11   8.139   6.412  -6.638
   97    HA   TRP  11           HA       TRP  11   8.159   7.907  -9.069
   98    HB2  TRP  11           1HB      TRP  11   6.656   6.035  -8.632
   99    HB3  TRP  11           2HB      TRP  11   5.890   6.894  -7.317
  100    HD1  TRP  11           HD       TRP  11   5.923   6.724 -11.119
  101    HE1  TRP  11           1HE      TRP  11   3.871   7.966 -12.034
  102    HE3  TRP  11           3HE      TRP  11   4.253   8.846  -6.777
  103    HZ2  TRP  11           2HZ      TRP  11   1.974   9.922 -11.052
  104    HZ3  TRP  11           3HZ      TRP  11   2.296  10.364  -6.784
  105    HH2  TRP  11           HH       TRP  11   1.151  10.916  -8.920
  106    H    CYS  12           H        CYS  12   6.758   8.706  -5.874
  107    HA   CYS  12           HA       CYS  12   5.923  11.380  -6.443
  108    HB2  CYS  12           1HB      CYS  12   6.940  10.073  -3.883
  109    HB3  CYS  12           2HB      CYS  12   6.255  11.696  -3.952
  110    HG   CYS  12           HG       CYS  12   4.856   8.801  -4.644
  111    H    GLY  13           H        GLY  13   9.115  10.228  -5.247
  112    HA2  GLY  13           1HA      GLY  13  10.338  12.783  -5.038
  113    HA3  GLY  13           2HA      GLY  13  11.186  11.225  -5.180
  114    H    LYS  14           H        LYS  14   9.947  10.722  -7.892
  115    HA   LYS  14           HA       LYS  14  11.801  12.281  -9.566
  116    HB2  LYS  14           1HB      LYS  14   9.766  10.079 -10.094
  117    HB3  LYS  14           2HB      LYS  14  10.670  10.878 -11.387
  118    HG2  LYS  14           1HG      LYS  14  12.798  10.146 -10.489
  119    HG3  LYS  14           2HG      LYS  14  12.040   9.516  -9.029
  120    HD2  LYS  14           1HD      LYS  14  12.583   7.678 -10.488
  121    HD3  LYS  14           2HD      LYS  14  10.824   7.820 -10.365
  122    HE2  LYS  14           1HE      LYS  14  10.754   8.984 -12.558
  123    HE3  LYS  14           2HE      LYS  14  12.518   8.925 -12.659
  124    HZ1  LYS  14           3HZ      LYS  14  11.498   7.136 -13.932
  125    HZ2  LYS  14           1HZ      LYS  14  12.371   6.499 -12.710
  126    HZ3  LYS  14           2HZ      LYS  14  10.738   6.549 -12.611
  127    H    ARG  15           H        ARG  15   8.736  12.857  -8.352
  128    HA   ARG  15           HA       ARG  15   7.984  14.803 -10.493
  129    HB2  ARG  15           1HB      ARG  15   6.264  13.186  -8.576
  130    HB3  ARG  15           2HB      ARG  15   5.657  14.393  -9.722
  131    HG2  ARG  15           1HG      ARG  15   6.517  13.018 -11.614
  132    HG3  ARG  15           2HG      ARG  15   7.116  11.821 -10.486
  133    HD2  ARG  15           1HD      ARG  15   5.060  11.008 -11.326
  134    HD3  ARG  15           2HD      ARG  15   4.808  11.448  -9.641
  135    HE   ARG  15           HE       ARG  15   3.725  13.548 -10.426
  136   HH11  ARG  15          1HH1      ARG  15   3.815  10.900 -12.835
  137   HH12  ARG  15          2HH1      ARG  15   2.351  11.533 -13.583
  138   HH21  ARG  15          1HH2      ARG  15   1.887  14.212 -11.593
  139   HH22  ARG  15          2HH2      ARG  15   1.369  13.209 -12.946
  140    H    LYS  16           H        LYS  16   9.541  14.919  -7.698
  141    HA   LYS  16           HA       LYS  16   9.913  16.401  -6.041
  142    HB2  LYS  16           1HB      LYS  16   8.276  18.362  -7.700
  143    HB3  LYS  16           2HB      LYS  16   9.380  18.757  -6.384
  144    HG2  LYS  16           1HG      LYS  16  11.277  17.776  -7.663
  145    HG3  LYS  16           2HG      LYS  16  10.180  17.455  -9.021
  146    HD2  LYS  16           1HD      LYS  16   9.672  19.876  -9.194
  147    HD3  LYS  16           2HD      LYS  16  10.780  20.202  -7.841
  148    HE2  LYS  16           1HE      LYS  16  12.658  19.221  -9.148
  149    HE3  LYS  16           2HE      LYS  16  11.557  18.901 -10.495
  150    HZ1  LYS  16           3HZ      LYS  16  12.782  20.965 -10.824
  151    HZ2  LYS  16           1HZ      LYS  16  11.190  21.301 -10.677
  152    HZ3  LYS  16           2HZ      LYS  16  12.209  21.595  -9.432
  153    H    MET  17           H        MET  17   7.724  14.604  -5.699
  154    HA   MET  17           HA       MET  17   6.021  16.034  -3.679
  155    HB2  MET  17           1HB      MET  17   5.386  13.580  -5.374
  156    HB3  MET  17           2HB      MET  17   4.330  14.263  -4.137
  157    HG2  MET  17           1HG      MET  17   4.308  16.420  -5.443
  158    HG3  MET  17           2HG      MET  17   5.158  15.583  -6.739
  159    HE1  MET  17           3HE      MET  17   2.503  12.847  -7.806
  160    HE2  MET  17           1HE      MET  17   4.188  13.372  -7.913
  161    HE3  MET  17           2HE      MET  17   3.589  12.593  -6.433
  162    H    THR  18           H        THR  18   5.183  14.485  -2.019
  163    HA   THR  18           HA       THR  18   6.926  12.190  -1.310
  164    HB   THR  18           HB       THR  18   6.197  14.369   0.687
  165    HG1  THR  18           1HG      THR  18   8.401  14.862   0.598
  166   HG21  THR  18          3HG2      THR  18   7.817  13.172   2.144
  167   HG22  THR  18          1HG2      THR  18   6.462  12.126   1.713
  168   HG23  THR  18          2HG2      THR  18   8.028  11.928   0.893
  169    HA   PRO  19           HA       PRO  19   2.655  10.863  -0.509
  170    HB2  PRO  19           1HB      PRO  19   3.043   8.257   0.140
  171    HB3  PRO  19           2HB      PRO  19   3.309   8.857  -1.526
  172    HG2  PRO  19           1HG      PRO  19   5.379   8.418   0.646
  173    HG3  PRO  19           2HG      PRO  19   5.430   7.868  -1.057
  174    HD2  PRO  19           1HD      PRO  19   6.659  10.167  -0.159
  175    HD3  PRO  19           2HD      PRO  19   5.991  10.025  -1.806
  176    H    ALA  20           H        ALA  20   1.328  10.532   1.281
  177    HA   ALA  20           HA       ALA  20   2.617  10.640   3.989
  178    HB1  ALA  20           1HB      ALA  20   1.673  12.810   3.319
  179    HB2  ALA  20           2HB      ALA  20   0.106  12.039   2.976
  180    HB3  ALA  20           3HB      ALA  20   0.731  12.084   4.639
  181    H    TYR  21           H        TYR  21   2.244   8.898   5.128
  182    HA   TYR  21           HA       TYR  21  -0.045   7.104   4.526
  183    HB2  TYR  21           1HB      TYR  21   2.566   6.655   6.021
  184    HB3  TYR  21           2HB      TYR  21   1.297   5.456   5.864
  185    HD1  TYR  21           1HD      TYR  21   3.888   7.353   3.988
  186    HD2  TYR  21           2HD      TYR  21   0.981   4.170   3.858
  187    HE1  TYR  21           1HE      TYR  21   4.840   6.568   1.829
  188    HE2  TYR  21           2HE      TYR  21   1.926   3.387   1.699
  189    HH   TYR  21           HH       TYR  21   3.438   3.829   0.007
  190    H    GLU  22           H        GLU  22  -1.239   6.104   6.235
  191    HA   GLU  22           HA       GLU  22  -0.831   6.989   8.999
  192    HB2  GLU  22           1HB      GLU  22  -2.414   8.672   8.088
  193    HB3  GLU  22           2HB      GLU  22  -3.512   7.383   7.608
  194    HG2  GLU  22           1HG      GLU  22  -4.264   8.469   9.655
  195    HG3  GLU  22           2HG      GLU  22  -3.892   6.783   9.963
  196    H    ILE  23           H        ILE  23  -1.814   5.566  10.551
  197    HA   ILE  23           HA       ILE  23  -2.520   2.840   9.524
  198    HB   ILE  23           HB       ILE  23  -0.204   3.584  11.353
  199   HG12  ILE  23          1HG1      ILE  23  -0.325   2.121   8.678
  200   HG13  ILE  23          2HG1      ILE  23   0.274   3.759   8.939
  201   HG21  ILE  23          1HG2      ILE  23  -1.300   1.597  12.326
  202   HG22  ILE  23          2HG2      ILE  23  -1.230   0.773  10.747
  203   HG23  ILE  23          3HG2      ILE  23   0.247   1.177  11.646
  204   HD11  ILE  23          3HD1      ILE  23   2.182   2.414   8.702
  205   HD12  ILE  23          1HD1      ILE  23   2.074   2.778  10.434
  206   HD13  ILE  23          2HD1      ILE  23   1.580   1.177   9.813
  207    H    ARG  24           H        ARG  24  -3.673   1.526  10.906
  208    HA   ARG  24           HA       ARG  24  -4.468   2.508  13.595
  209    HB2  ARG  24           1HB      ARG  24  -6.159   3.312  11.912
  210    HB3  ARG  24           2HB      ARG  24  -6.462   1.628  11.473
  211    HG2  ARG  24           1HG      ARG  24  -7.282   1.126  13.713
  212    HG3  ARG  24           2HG      ARG  24  -6.842   2.750  14.283
  213    HD2  ARG  24           1HD      ARG  24  -8.488   3.760  12.783
  214    HD3  ARG  24           2HD      ARG  24  -8.862   2.175  12.076
  215    HE   ARG  24           HE       ARG  24  -9.244   2.002  14.880
  216   HH11  ARG  24          1HH1      ARG  24 -10.806   3.598  12.134
  217   HH12  ARG  24          2HH1      ARG  24 -12.366   3.586  12.899
  218   HH21  ARG  24          1HH2      ARG  24 -11.281   2.031  15.813
  219   HH22  ARG  24          2HH2      ARG  24 -12.627   2.715  14.955
  220    H    ALA  25           H        ALA  25  -4.752   0.882  15.047
  221    HA   ALA  25           HA       ALA  25  -4.181  -1.914  14.217
  222    HB1  ALA  25           1HB      ALA  25  -2.942  -0.929  16.127
  223    HB2  ALA  25           2HB      ALA  25  -4.477  -0.686  16.993
  224    HB3  ALA  25           3HB      ALA  25  -3.918  -2.330  16.613
  225    H    VAL  26           H        VAL  26  -5.607  -3.602  14.454
  226    HA   VAL  26           HA       VAL  26  -8.348  -3.182  15.499
  227    HB   VAL  26           HB       VAL  26  -9.386  -4.125  13.459
  228   HG11  VAL  26          1HG1      VAL  26  -9.394  -1.673  13.884
  229   HG12  VAL  26          2HG1      VAL  26  -7.957  -1.514  12.845
  230   HG13  VAL  26          3HG1      VAL  26  -9.489  -2.104  12.172
  231   HG21  VAL  26          3HG2      VAL  26  -8.223  -4.073  11.294
  232   HG22  VAL  26          1HG2      VAL  26  -6.704  -3.620  12.091
  233   HG23  VAL  26          2HG2      VAL  26  -7.449  -5.203  12.404
  234    H    GLY  27           H        GLY  27  -9.601  -5.217  15.565
  235    HA2  GLY  27           1HA      GLY  27  -9.850  -7.474  16.060
  236    HA3  GLY  27           2HA      GLY  27  -8.187  -7.788  15.527
  237    H    ASN  28           H        ASN  28  -9.413  -8.958  17.794
  238    HA   ASN  28           HA       ASN  28  -8.547  -7.702  20.240
  239    HB2  ASN  28           1HB      ASN  28 -10.356  -9.428  20.049
  240    HB3  ASN  28           2HB      ASN  28  -9.127 -10.641  19.688
  241   HD21  ASN  28          2HD2      ASN  28  -8.518 -11.826  21.489
  242   HD22  ASN  28          1HD2      ASN  28  -8.595 -11.219  23.139
  243    H    LYS  29           H        LYS  29  -6.808  -8.415  21.660
  244    HA   LYS  29           HA       LYS  29  -4.343  -8.140  20.466
  245    HB2  LYS  29           1HB      LYS  29  -3.391  -8.521  22.659
  246    HB3  LYS  29           2HB      LYS  29  -4.861  -7.557  22.762
  247    HG2  LYS  29           1HG      LYS  29  -6.132  -9.599  23.482
  248    HG3  LYS  29           2HG      LYS  29  -4.625 -10.535  23.418
  249    HD2  LYS  29           1HD      LYS  29  -3.623  -9.044  25.126
  250    HD3  LYS  29           2HD      LYS  29  -5.127  -8.098  25.185
  251    HE2  LYS  29           1HE      LYS  29  -6.373 -10.134  25.892
  252    HE3  LYS  29           2HE      LYS  29  -4.874 -11.074  25.838
  253    HZ1  LYS  29           3HZ      LYS  29  -5.374 -10.332  28.090
  254    HZ2  LYS  29           1HZ      LYS  29  -3.988  -9.631  27.587
  255    HZ3  LYS  29           2HZ      LYS  29  -5.375  -8.764  27.636
  256    H    ASN  30           H        ASN  30  -5.846 -11.285  21.012
  257    HA   ASN  30           HA       ASN  30  -3.397 -12.807  20.559
  258    HB2  ASN  30           1HB      ASN  30  -4.784 -14.726  20.711
  259    HB3  ASN  30           2HB      ASN  30  -5.296 -13.596  21.963
  260   HD21  ASN  30          2HD2      ASN  30  -6.624 -15.861  20.117
  261   HD22  ASN  30          1HD2      ASN  30  -8.147 -15.091  19.709
  262    H    ARG  31           H        ARG  31  -5.877 -11.505  18.541
  263    HA   ARG  31           HA       ARG  31  -4.793 -12.765  16.066
  264    HB2  ARG  31           1HB      ARG  31  -7.071 -12.826  15.223
  265    HB3  ARG  31           2HB      ARG  31  -6.935 -13.729  16.726
  266    HG2  ARG  31           1HG      ARG  31  -7.950 -11.801  17.961
  267    HG3  ARG  31           2HG      ARG  31  -8.119 -10.921  16.440
  268    HD2  ARG  31           1HD      ARG  31  -9.584 -12.742  15.566
  269    HD3  ARG  31           2HD      ARG  31  -9.391 -13.611  17.087
  270    HE   ARG  31           HE       ARG  31 -10.879 -12.203  18.130
  271   HH11  ARG  31          1HH1      ARG  31 -10.126 -10.743  14.994
  272   HH12  ARG  31          2HH1      ARG  31 -11.421  -9.590  15.122
  273   HH21  ARG  31          1HH2      ARG  31 -12.508 -10.675  18.238
  274   HH22  ARG  31          2HH2      ARG  31 -12.727  -9.534  16.949
  275    H    GLN  32           H        GLN  32  -3.917 -10.256  17.216
  276    HA   GLN  32           HA       GLN  32  -5.328  -8.028  16.188
  277    HB2  GLN  32           1HB      GLN  32  -3.806  -8.086  18.165
  278    HB3  GLN  32           2HB      GLN  32  -2.416  -8.144  17.072
  279    HG2  GLN  32           1HG      GLN  32  -3.038  -5.945  16.139
  280    HG3  GLN  32           2HG      GLN  32  -4.504  -5.906  17.125
  281   HE21  GLN  32          2HE2      GLN  32  -1.807  -4.249  16.986
  282   HE22  GLN  32          1HE2      GLN  32  -1.407  -4.124  18.693
  283    H    LYS  33           H        LYS  33  -4.953  -6.591  14.600
  284    HA   LYS  33           HA       LYS  33  -3.139  -7.182  12.323
  285    HB2  LYS  33           1HB      LYS  33  -6.185  -7.029  12.344
  286    HB3  LYS  33           2HB      LYS  33  -5.249  -6.618  10.904
  287    HG2  LYS  33           1HG      LYS  33  -4.195  -8.916  11.000
  288    HG3  LYS  33           2HG      LYS  33  -5.284  -9.305  12.336
  289    HD2  LYS  33           1HD      LYS  33  -6.204 -10.190  10.288
  290    HD3  LYS  33           2HD      LYS  33  -7.236  -8.862  10.843
  291    HE2  LYS  33           1HE      LYS  33  -6.132  -7.329   9.215
  292    HE3  LYS  33           2HE      LYS  33  -5.066  -8.638   8.695
  293    HZ1  LYS  33           3HZ      LYS  33  -6.975  -8.298   7.219
  294    HZ2  LYS  33           1HZ      LYS  33  -7.000  -9.813   7.852
  295    HZ3  LYS  33           2HZ      LYS  33  -8.022  -8.665   8.420
  296    H    PHE  34           H        PHE  34  -3.145  -5.390  10.761
  297    HA   PHE  34           HA       PHE  34  -3.688  -2.710  11.954
  298    HB2  PHE  34           1HB      PHE  34  -1.147  -3.606  10.542
  299    HB3  PHE  34           2HB      PHE  34  -1.535  -1.947  10.976
  300    HD1  PHE  34           1HD      PHE  34  -1.633  -1.233  13.370
  301    HD2  PHE  34           2HD      PHE  34  -0.410  -5.205  12.234
  302    HE1  PHE  34           1HE      PHE  34  -0.640  -1.578  15.624
  303    HE2  PHE  34           2HE      PHE  34   0.597  -5.541  14.477
  304    HZ   PHE  34           HZ       PHE  34   0.494  -3.723  16.172
  305    H    MET  35           H        MET  35  -4.592  -1.320  10.664
  306    HA   MET  35           HA       MET  35  -4.944  -1.843   7.741
  307    HB2  MET  35           1HB      MET  35  -6.423   0.173   9.473
  308    HB3  MET  35           2HB      MET  35  -6.787  -0.307   7.811
  309    HG2  MET  35           1HG      MET  35  -7.139  -2.688   8.786
  310    HG3  MET  35           2HG      MET  35  -7.161  -1.892  10.361
  311    HE1  MET  35           3HE      MET  35 -10.328   0.424  10.084
  312    HE2  MET  35           1HE      MET  35  -8.897  -0.018  11.040
  313    HE3  MET  35           2HE      MET  35  -8.716   0.928   9.542
  314    H    CYS  36           H        CYS  36  -4.519  -0.081   6.314
  315    HA   CYS  36           HA       CYS  36  -3.090   2.274   7.353
  316    HB2  CYS  36           1HB      CYS  36  -1.370   0.496   7.095
  317    HB3  CYS  36           2HB      CYS  36  -1.851   0.289   5.398
  318    HG   CYS  36           HG       CYS  36  -0.944   3.180   6.769
  319    H    GLU  37           H        GLU  37  -3.042   4.017   5.949
  320    HA   GLU  37           HA       GLU  37  -4.212   3.705   3.274
  321    HB2  GLU  37           1HB      GLU  37  -5.531   5.695   3.487
  322    HB3  GLU  37           2HB      GLU  37  -6.048   4.515   4.688
  323    HG2  GLU  37           1HG      GLU  37  -4.899   5.752   6.459
  324    HG3  GLU  37           2HG      GLU  37  -4.223   6.887   5.281
  325    H    VAL  38           H        VAL  38  -3.594   5.373   1.793
  326    HA   VAL  38           HA       VAL  38  -1.405   7.183   2.621
  327    HB   VAL  38           HB       VAL  38  -0.360   5.070   1.811
  328   HG11  VAL  38          1HG1      VAL  38  -2.022   4.499   0.039
  329   HG12  VAL  38          2HG1      VAL  38  -1.397   5.853  -0.933
  330   HG13  VAL  38          3HG1      VAL  38  -0.344   4.492  -0.529
  331   HG21  VAL  38          3HG2      VAL  38   1.298   6.147   0.346
  332   HG22  VAL  38          1HG2      VAL  38   0.218   7.505   0.051
  333   HG23  VAL  38          2HG2      VAL  38   0.867   7.225   1.683
  334    H    ARG  39           H        ARG  39  -1.186   9.014   1.489
  335    HA   ARG  39           HA       ARG  39  -2.998   9.638  -0.793
  336    HB2  ARG  39           1HB      ARG  39  -2.692  11.321   1.737
  337    HB3  ARG  39           2HB      ARG  39  -3.654  11.739   0.311
  338    HG2  ARG  39           1HG      ARG  39  -5.078   9.716   0.718
  339    HG3  ARG  39           2HG      ARG  39  -4.160   9.399   2.204
  340    HD2  ARG  39           1HD      ARG  39  -4.826  11.672   3.039
  341    HD3  ARG  39           2HD      ARG  39  -5.871  11.835   1.619
  342    HE   ARG  39           HE       ARG  39  -6.134   9.569   3.597
  343   HH11  ARG  39          1HH1      ARG  39  -7.827  12.151   1.826
  344   HH12  ARG  39          2HH1      ARG  39  -9.368  11.611   2.424
  345   HH21  ARG  39          1HH2      ARG  39  -7.986   8.988   4.282
  346   HH22  ARG  39          2HH2      ARG  39  -9.485   9.801   3.834
  347    H    VAL  40           H        VAL  40  -2.349  11.576  -1.941
  348    HA   VAL  40           HA       VAL  40   0.428  12.569  -1.549
  349    HB   VAL  40           HB       VAL  40  -0.597  11.529  -4.226
  350   HG11  VAL  40          1HG1      VAL  40   0.921  13.442  -4.512
  351   HG12  VAL  40          2HG1      VAL  40   2.114  12.690  -3.431
  352   HG13  VAL  40          3HG1      VAL  40   1.730  11.959  -5.003
  353   HG21  VAL  40          3HG2      VAL  40   1.211   9.826  -4.070
  354   HG22  VAL  40          1HG2      VAL  40   1.576  10.371  -2.423
  355   HG23  VAL  40          2HG2      VAL  40   0.015   9.608  -2.792
  356    H    GLU  41           H        GLU  41   0.597  14.717  -1.981
  357    HA   GLU  41           HA       GLU  41  -1.717  16.329  -2.116
  358    HB2  GLU  41           1HB      GLU  41   0.465  16.975  -1.130
  359    HB3  GLU  41           2HB      GLU  41   1.162  17.098  -2.751
  360    HG2  GLU  41           1HG      GLU  41  -0.433  18.905  -3.312
  361    HG3  GLU  41           2HG      GLU  41  -1.220  18.720  -1.741
  362    H    GLY  42           H        GLY  42  -2.902  17.168  -3.728
  363    HA2  GLY  42           1HA      GLY  42  -3.403  17.999  -5.875
  364    HA3  GLY  42           2HA      GLY  42  -1.940  17.238  -6.540
  365    H    PHE  43           H        PHE  43  -3.446  14.891  -4.699
  366    HA   PHE  43           HA       PHE  43  -5.222  13.940  -6.916
  367    HB2  PHE  43           1HB      PHE  43  -3.376  12.294  -5.144
  368    HB3  PHE  43           2HB      PHE  43  -4.512  11.649  -6.317
  369    HD1  PHE  43           1HD      PHE  43  -4.092  11.868  -8.761
  370    HD2  PHE  43           2HD      PHE  43  -1.288  13.389  -5.861
  371    HE1  PHE  43           1HE      PHE  43  -2.371  12.086 -10.534
  372    HE2  PHE  43           2HE      PHE  43   0.415  13.629  -7.638
  373    HZ   PHE  43           HZ       PHE  43  -0.113  12.964  -9.979
  374    H    ASN  44           H        ASN  44  -7.250  13.528  -6.343
  375    HA   ASN  44           HA       ASN  44  -8.145  14.020  -3.635
  376    HB2  ASN  44           1HB      ASN  44  -9.325  14.777  -5.675
  377    HB3  ASN  44           2HB      ASN  44  -9.642  13.099  -6.122
  378   HD21  ASN  44          2HD2      ASN  44 -10.277  15.555  -3.550
  379   HD22  ASN  44          1HD2      ASN  44 -11.803  14.843  -3.058
  380    H    TYR  45           H        TYR  45  -7.301  11.100  -5.344
  381    HA   TYR  45           HA       TYR  45  -8.960   9.256  -3.885
  382    HB2  TYR  45           1HB      TYR  45  -7.944   8.941  -6.162
  383    HB3  TYR  45           2HB      TYR  45  -6.371   8.746  -5.391
  384    HD1  TYR  45           2HD      TYR  45  -9.855   7.372  -5.501
  385    HD2  TYR  45           1HD      TYR  45  -5.710   6.563  -4.637
  386    HE1  TYR  45           2HE      TYR  45 -10.390   4.963  -5.215
  387    HE2  TYR  45           1HE      TYR  45  -6.245   4.151  -4.329
  388    HH   TYR  45           HH       TYR  45  -9.574   2.871  -4.753
  389    H    ALA  46           H        ALA  46  -8.284   7.614  -2.418
  390    HA   ALA  46           HA       ALA  46  -5.726   7.972  -0.959
  391    HB1  ALA  46           1HB      ALA  46  -7.467   9.115   0.388
  392    HB2  ALA  46           2HB      ALA  46  -8.447   7.635   0.387
  393    HB3  ALA  46           3HB      ALA  46  -6.867   7.653   1.198
  394    H    GLY  47           H        GLY  47  -4.660   6.132  -1.160
  395    HA2  GLY  47           1HA      GLY  47  -5.999   3.604  -1.920
  396    HA3  GLY  47           2HA      GLY  47  -4.247   3.877  -1.804
  397    H    MET  48           H        MET  48  -6.119   1.807  -0.642
  398    HA   MET  48           HA       MET  48  -5.362   2.045   2.246
  399    HB2  MET  48           1HB      MET  48  -8.115   1.414   1.110
  400    HB3  MET  48           2HB      MET  48  -7.660   1.274   2.814
  401    HG2  MET  48           1HG      MET  48  -7.104   3.687   2.863
  402    HG3  MET  48           2HG      MET  48  -7.639   3.856   1.196
  403    HE1  MET  48           3HE      MET  48 -11.446   3.546   1.302
  404    HE2  MET  48           1HE      MET  48 -10.000   3.980   0.367
  405    HE3  MET  48           2HE      MET  48 -10.278   2.291   0.847
  406    H    GLY  49           H        GLY  49  -4.981   0.215   3.341
  407    HA2  GLY  49           1HA      GLY  49  -5.446  -2.467   2.172
  408    HA3  GLY  49           2HA      GLY  49  -3.772  -1.980   2.403
  409    H    ASN  50           H        ASN  50  -4.529  -4.175   3.680
  410    HA   ASN  50           HA       ASN  50  -3.987  -3.412   6.423
  411    HB2  ASN  50           1HB      ASN  50  -5.798  -4.556   7.499
  412    HB3  ASN  50           2HB      ASN  50  -6.503  -3.425   6.355
  413   HD21  ASN  50          2HD2      ASN  50  -7.612  -4.293   4.461
  414   HD22  ASN  50          1HD2      ASN  50  -8.021  -5.998   4.381
  415    H    SER  51           H        SER  51  -3.365  -5.266   7.793
  416    HA   SER  51           HA       SER  51  -2.975  -7.907   6.705
  417    HB2  SER  51           1HB      SER  51  -1.172  -6.515   5.498
  418    HB3  SER  51           2HB      SER  51  -0.387  -6.366   7.074
  419    HG   SER  51           HG       SER  51  -0.093  -8.290   5.407
  420    H    THR  52           H        THR  52  -1.019  -8.937   8.247
  421    HA   THR  52           HA       THR  52  -1.968  -8.741  11.033
  422    HB   THR  52           HB       THR  52  -0.268 -10.506  11.425
  423    HG1  THR  52           1HG      THR  52   0.794 -11.319   9.554
  424   HG21  THR  52          3HG2      THR  52  -1.338 -12.275  10.142
  425   HG22  THR  52          1HG2      THR  52  -2.568 -11.119  10.677
  426   HG23  THR  52          2HG2      THR  52  -2.011 -11.103   8.989
  427    H    ASN  53           H        ASN  53   0.255  -7.018   9.202
  428    HA   ASN  53           HA       ASN  53   1.738  -5.998  11.541
  429    HB2  ASN  53           1HB      ASN  53   3.887  -6.548  10.541
  430    HB3  ASN  53           2HB      ASN  53   2.949  -8.019  10.779
  431   HD21  ASN  53          2HD2      ASN  53   2.009  -9.090   8.838
  432   HD22  ASN  53          1HD2      ASN  53   2.668  -8.704   7.259
  433    H    LYS  54           H        LYS  54   2.829  -4.026  11.176
  434    HA   LYS  54           HA       LYS  54   1.405  -2.207   9.503
  435    HB2  LYS  54           1HB      LYS  54   4.028  -1.920  11.032
  436    HB3  LYS  54           2HB      LYS  54   3.162  -0.582  10.272
  437    HG2  LYS  54           1HG      LYS  54   1.161  -1.081  11.691
  438    HG3  LYS  54           2HG      LYS  54   2.085  -2.354  12.512
  439    HD2  LYS  54           1HD      LYS  54   3.771  -0.668  13.220
  440    HD3  LYS  54           2HD      LYS  54   2.823   0.608  12.425
  441    HE2  LYS  54           1HE      LYS  54   0.891   0.085  13.903
  442    HE3  LYS  54           2HE      LYS  54   1.830  -1.194  14.683
  443    HZ1  LYS  54           3HZ      LYS  54   1.890   0.857  15.975
  444    HZ2  LYS  54           1HZ      LYS  54   3.394   0.506  15.447
  445    HZ3  LYS  54           2HZ      LYS  54   2.531   1.694  14.727
  446    H    LYS  55           H        LYS  55   4.482  -3.900   8.835
  447    HA   LYS  55           HA       LYS  55   5.366  -2.265   6.710
  448    HB2  LYS  55           1HB      LYS  55   6.585  -4.034   8.123
  449    HB3  LYS  55           2HB      LYS  55   5.781  -5.263   7.173
  450    HG2  LYS  55           1HG      LYS  55   7.933  -5.019   6.224
  451    HG3  LYS  55           2HG      LYS  55   6.808  -4.284   5.093
  452    HD2  LYS  55           1HD      LYS  55   8.715  -2.883   5.271
  453    HD3  LYS  55           2HD      LYS  55   7.393  -2.018   5.998
  454    HE2  LYS  55           1HE      LYS  55   9.379  -1.677   7.326
  455    HE3  LYS  55           2HE      LYS  55   8.246  -2.632   8.274
  456    HZ1  LYS  55           3HZ      LYS  55  10.669  -3.383   8.209
  457    HZ2  LYS  55           1HZ      LYS  55   9.557  -4.563   7.921
  458    HZ3  LYS  55           2HZ      LYS  55  10.410  -3.904   6.690
  459    H    ASP  56           H        ASP  56   3.623  -5.404   6.567
  460    HA   ASP  56           HA       ASP  56   3.188  -5.252   3.725
  461    HB2  ASP  56           1HB      ASP  56   3.362  -7.314   5.134
  462    HB3  ASP  56           2HB      ASP  56   1.779  -6.949   5.803
  463    H    ALA  57           H        ALA  57   1.282  -4.151   6.514
  464    HA   ALA  57           HA       ALA  57  -1.132  -3.543   5.058
  465    HB1  ALA  57           1HB      ALA  57  -0.990  -3.612   7.539
  466    HB2  ALA  57           2HB      ALA  57   0.031  -2.155   7.517
  467    HB3  ALA  57           3HB      ALA  57  -1.649  -2.075   6.954
  468    H    GLN  58           H        GLN  58   1.813  -1.553   5.668
  469    HA   GLN  58           HA       GLN  58   0.966   0.710   4.080
  470    HB2  GLN  58           1HB      GLN  58   3.676  -0.338   4.972
  471    HB3  GLN  58           2HB      GLN  58   3.511   1.077   3.934
  472    HG2  GLN  58           1HG      GLN  58   2.306   2.314   5.593
  473    HG3  GLN  58           2HG      GLN  58   2.102   0.889   6.619
  474   HE21  GLN  58          2HE2      GLN  58   3.995   0.009   7.700
  475   HE22  GLN  58          1HE2      GLN  58   5.390   1.053   8.006
  476    H    SER  59           H        SER  59   2.901  -2.239   3.185
  477    HA   SER  59           HA       SER  59   3.275  -1.537   0.470
  478    HB2  SER  59           1HB      SER  59   2.833  -4.265   1.736
  479    HB3  SER  59           2HB      SER  59   3.325  -4.019   0.058
  480    HG   SER  59           HG       SER  59   5.109  -4.379   1.496
  481    H    ASN  60           H        ASN  60   0.429  -3.078   2.009
  482    HA   ASN  60           HA       ASN  60  -0.958  -3.463  -0.510
  483    HB2  ASN  60           1HB      ASN  60  -1.906  -3.550   2.378
  484    HB3  ASN  60           2HB      ASN  60  -2.922  -3.957   0.992
  485   HD21  ASN  60          2HD2      ASN  60  -2.263  -5.827   3.144
  486   HD22  ASN  60          1HD2      ASN  60  -1.237  -7.061   2.449
  487    H    ALA  61           H        ALA  61  -1.060  -0.866   1.966
  488    HA   ALA  61           HA       ALA  61  -3.098   0.713   0.688
  489    HB1  ALA  61           1HB      ALA  61  -2.337   0.998   3.040
  490    HB2  ALA  61           2HB      ALA  61  -0.755   1.558   2.458
  491    HB3  ALA  61           3HB      ALA  61  -2.214   2.512   2.121
  492    H    ALA  62           H        ALA  62   0.480   0.763   0.363
  493    HA   ALA  62           HA       ALA  62   0.637   2.846  -1.578
  494    HB1  ALA  62           1HB      ALA  62   2.537   1.969  -0.236
  495    HB2  ALA  62           2HB      ALA  62   2.467   0.443  -1.134
  496    HB3  ALA  62           3HB      ALA  62   2.886   1.948  -1.983
  497    H    ARG  63           H        ARG  63   0.489  -0.746  -2.080
  498    HA   ARG  63           HA       ARG  63   0.492  -0.607  -4.882
  499    HB2  ARG  63           1HB      ARG  63   0.780  -2.712  -3.509
  500    HB3  ARG  63           2HB      ARG  63  -0.937  -2.670  -3.147
  501    HG2  ARG  63           1HG      ARG  63  -0.518  -4.250  -4.936
  502    HG3  ARG  63           2HG      ARG  63  -1.481  -2.912  -5.539
  503    HD2  ARG  63           1HD      ARG  63   0.850  -1.950  -6.369
  504    HD3  ARG  63           2HD      ARG  63   1.411  -3.604  -6.128
  505    HE   ARG  63           HE       ARG  63  -0.911  -2.782  -7.863
  506   HH11  ARG  63          1HH1      ARG  63   2.077  -4.715  -7.661
  507   HH12  ARG  63          2HH1      ARG  63   1.692  -5.554  -9.132
  508   HH21  ARG  63          1HH2      ARG  63  -1.260  -3.819  -9.727
  509   HH22  ARG  63          2HH2      ARG  63  -0.149  -5.023 -10.319
  510    H    ASP  64           H        ASP  64  -2.309  -0.383  -2.649
  511    HA   ASP  64           HA       ASP  64  -4.290  -0.305  -4.704
  512    HB2  ASP  64           1HB      ASP  64  -4.619  -0.840  -2.284
  513    HB3  ASP  64           2HB      ASP  64  -4.403   0.872  -1.910
  514    H    PHE  65           H        PHE  65  -2.303   2.328  -3.303
  515    HA   PHE  65           HA       PHE  65  -3.724   4.400  -4.808
  516    HB2  PHE  65           1HB      PHE  65  -2.484   4.779  -2.654
  517    HB3  PHE  65           2HB      PHE  65  -0.977   4.560  -3.522
  518    HD1  PHE  65           1HD      PHE  65  -3.921   6.742  -3.014
  519    HD2  PHE  65           2HD      PHE  65  -0.213   6.286  -5.148
  520    HE1  PHE  65           1HE      PHE  65  -4.044   9.113  -3.726
  521    HE2  PHE  65           2HE      PHE  65  -0.320   8.680  -5.820
  522    HZ   PHE  65           HZ       PHE  65  -2.249  10.078  -5.148
  523    H    VAL  66           H        VAL  66  -0.680   2.544  -5.301
  524    HA   VAL  66           HA       VAL  66   0.033   3.835  -7.768
  525    HB   VAL  66           HB       VAL  66   0.653   1.021  -6.796
  526   HG11  VAL  66          1HG1      VAL  66   0.941   0.979  -9.215
  527   HG12  VAL  66          2HG1      VAL  66   1.763   2.557  -9.189
  528   HG13  VAL  66          3HG1      VAL  66   2.540   1.132  -8.476
  529   HG21  VAL  66          3HG2      VAL  66   2.821   1.962  -6.207
  530   HG22  VAL  66          1HG2      VAL  66   2.380   3.532  -6.917
  531   HG23  VAL  66          2HG2      VAL  66   1.561   2.951  -5.462
  532    H    ASN  67           H        ASN  67  -2.047   1.022  -7.117
  533    HA   ASN  67           HA       ASN  67  -2.828   0.425  -9.787
  534    HB2  ASN  67           1HB      ASN  67  -4.376   0.226  -7.178
  535    HB3  ASN  67           2HB      ASN  67  -5.007  -0.345  -8.715
  536   HD21  ASN  67          2HD2      ASN  67  -4.777  -2.096  -6.595
  537   HD22  ASN  67          1HD2      ASN  67  -3.539  -3.272  -6.987
  538    H    TYR  68           H        TYR  68  -4.272   2.920  -7.559
  539    HA   TYR  68           HA       TYR  68  -6.107   3.967  -9.503
  540    HB2  TYR  68           1HB      TYR  68  -6.490   4.571  -7.295
  541    HB3  TYR  68           2HB      TYR  68  -4.838   5.074  -7.004
  542    HD1  TYR  68           2HD      TYR  68  -7.959   6.006  -8.839
  543    HD2  TYR  68           1HD      TYR  68  -4.129   7.325  -7.354
  544    HE1  TYR  68           2HE      TYR  68  -8.545   8.358  -9.407
  545    HE2  TYR  68           1HE      TYR  68  -4.702   9.664  -7.932
  546    HH   TYR  68           HH       TYR  68  -6.308  11.094  -8.795
  547    H    LEU  69           H        LEU  69  -2.687   4.927  -8.822
  548    HA   LEU  69           HA       LEU  69  -2.552   6.964 -10.813
  549    HB2  LEU  69           1HB      LEU  69  -0.350   5.158  -9.766
  550    HB3  LEU  69           2HB      LEU  69  -0.123   6.598 -10.751
  551    HG   LEU  69           HG       LEU  69  -1.347   6.648  -7.972
  552   HD11  LEU  69          1HD1      LEU  69   0.987   5.920  -7.895
  553   HD12  LEU  69          2HD1      LEU  69   1.469   7.244  -8.970
  554   HD13  LEU  69          3HD1      LEU  69   0.884   7.593  -7.335
  555   HD21  LEU  69          3HD2      LEU  69  -0.883   9.105  -8.160
  556   HD22  LEU  69          1HD2      LEU  69  -0.473   8.868  -9.871
  557   HD23  LEU  69          2HD2      LEU  69  -2.121   8.544  -9.285
  558    H    VAL  70           H        VAL  70  -2.044   3.459 -11.198
  559    HA   VAL  70           HA       VAL  70  -1.390   3.585 -14.009
  560    HB   VAL  70           HB       VAL  70  -2.600   1.351 -12.345
  561   HG11  VAL  70          1HG1      VAL  70  -3.249   0.922 -14.681
  562   HG12  VAL  70          2HG1      VAL  70  -1.574   1.198 -15.215
  563   HG13  VAL  70          3HG1      VAL  70  -1.984  -0.195 -14.181
  564   HG21  VAL  70          3HG2      VAL  70  -0.372   0.374 -12.440
  565   HG22  VAL  70          1HG2      VAL  70   0.208   1.698 -13.475
  566   HG23  VAL  70          2HG2      VAL  70  -0.257   2.015 -11.797
  567    H    ARG  71           H        ARG  71  -4.497   3.210 -12.292
  568    HA   ARG  71           HA       ARG  71  -6.146   2.968 -14.619
  569    HB2  ARG  71           1HB      ARG  71  -6.759   3.845 -11.781
  570    HB3  ARG  71           2HB      ARG  71  -8.004   3.639 -13.009
  571    HG2  ARG  71           1HG      ARG  71  -7.624   1.302 -13.219
  572    HG3  ARG  71           2HG      ARG  71  -6.082   1.373 -12.365
  573    HD2  ARG  71           1HD      ARG  71  -7.290   2.089 -10.294
  574    HD3  ARG  71           2HD      ARG  71  -8.831   1.855 -11.146
  575    HE   ARG  71           HE       ARG  71  -7.578  -0.549 -11.502
  576   HH11  ARG  71          1HH1      ARG  71  -8.297   1.286  -8.556
  577   HH12  ARG  71          2HH1      ARG  71  -8.328  -0.142  -7.568
  578   HH21  ARG  71          1HH2      ARG  71  -7.666  -2.349 -10.170
  579   HH22  ARG  71          2HH2      ARG  71  -8.004  -2.171  -8.477
  580    H    ILE  72           H        ILE  72  -4.799   5.849 -13.132
  581    HA   ILE  72           HA       ILE  72  -6.230   7.548 -15.152
  582    HB   ILE  72           HB       ILE  72  -5.561   9.476 -13.912
  583   HG12  ILE  72          1HG1      ILE  72  -4.323   7.749 -11.757
  584   HG13  ILE  72          2HG1      ILE  72  -3.349   8.450 -13.040
  585   HG21  ILE  72          1HG2      ILE  72  -7.637   8.239 -13.289
  586   HG22  ILE  72          2HG2      ILE  72  -6.737   7.411 -12.000
  587   HG23  ILE  72          3HG2      ILE  72  -6.961   9.170 -11.948
  588   HD11  ILE  72          3HD1      ILE  72  -3.245   9.845 -11.069
  589   HD12  ILE  72          1HD1      ILE  72  -4.090  10.719 -12.361
  590   HD13  ILE  72          2HD1      ILE  72  -5.008   9.999 -11.018
  591    H    ASN  73           H        ASN  73  -3.623   5.722 -15.340
  592    HA   ASN  73           HA       ASN  73  -1.908   5.570 -16.729
  593    HB2  ASN  73           1HB      ASN  73  -3.054   7.986 -18.178
  594    HB3  ASN  73           2HB      ASN  73  -1.933   6.796 -18.824
  595   HD21  ASN  73          2HD2      ASN  73  -2.698   4.515 -19.055
  596   HD22  ASN  73          1HD2      ASN  73  -4.416   4.251 -19.296
  597    H    GLU  74           H        GLU  74  -1.626   7.435 -14.347
  598    HA   GLU  74           HA       GLU  74   0.688   9.117 -15.143
  599    HB2  GLU  74           1HB      GLU  74  -0.788   8.751 -12.511
  600    HB3  GLU  74           2HB      GLU  74   0.624   9.780 -12.720
  601    HG2  GLU  74           1HG      GLU  74  -2.024  10.137 -14.167
  602    HG3  GLU  74           2HG      GLU  74  -1.444  11.084 -12.800
  603    H    VAL  75           H        VAL  75   0.230   5.920 -14.250
  604    HA   VAL  75           HA       VAL  75   3.166   5.538 -13.952
  605    HB   VAL  75           HB       VAL  75   1.033   4.118 -12.280
  606   HG11  VAL  75          1HG1      VAL  75   2.740   2.469 -12.958
  607   HG12  VAL  75          2HG1      VAL  75   4.038   3.607 -12.487
  608   HG13  VAL  75          3HG1      VAL  75   2.969   2.889 -11.266
  609   HG21  VAL  75          3HG2      VAL  75   2.123   4.970 -10.328
  610   HG22  VAL  75          1HG2      VAL  75   3.494   5.565 -11.270
  611   HG23  VAL  75          2HG2      VAL  75   1.925   6.373 -11.393
  612    H    LYS  76           H        LYS  76   3.905   3.855 -15.254
  613    HA   LYS  76           HA       LYS  76   1.949   2.411 -16.968
  614    HB2  LYS  76           1HB      LYS  76   4.990   2.276 -16.914
  615    HB3  LYS  76           2HB      LYS  76   3.927   1.498 -18.084
  616    HG2  LYS  76           1HG      LYS  76   3.089   3.731 -18.820
  617    HG3  LYS  76           2HG      LYS  76   4.224   4.514 -17.704
  618    HD2  LYS  76           1HD      LYS  76   6.129   3.451 -18.884
  619    HD3  LYS  76           2HD      LYS  76   4.993   2.670 -20.009
  620    HE2  LYS  76           1HE      LYS  76   4.169   4.910 -20.721
  621    HE3  LYS  76           2HE      LYS  76   5.307   5.683 -19.609
  622    HZ1  LYS  76           3HZ      LYS  76   6.187   5.605 -21.866
  623    HZ2  LYS  76           1HZ      LYS  76   7.125   4.693 -20.889
  624    HZ3  LYS  76           2HZ      LYS  76   6.072   3.977 -21.917
  625    H    SER  77           H        SER  77   1.211   0.407 -16.472
  626    HA   SER  77           HA       SER  77   1.622  -0.841 -13.979
  627    HB2  SER  77           1HB      SER  77   0.516  -2.805 -15.048
  628    HB3  SER  77           2HB      SER  77  -0.339  -1.271 -15.263
  629    HG   SER  77           HG       SER  77  -0.201  -2.493 -17.235
  630    H    GLU  78           H        GLU  78   3.377  -1.369 -17.013
  631    HA   GLU  78           HA       GLU  78   4.680  -3.790 -16.404
  632    HB2  GLU  78           1HB      GLU  78   5.684  -1.468 -18.101
  633    HB3  GLU  78           2HB      GLU  78   6.307  -3.123 -18.137
  634    HG2  GLU  78           1HG      GLU  78   4.023  -3.924 -18.815
  635    HG3  GLU  78           2HG      GLU  78   3.495  -2.245 -18.924
  636    H    GLU  79           H        GLU  79   5.328  -0.637 -15.065
  637    HA   GLU  79           HA       GLU  79   8.039  -1.349 -14.110
  638    HB2  GLU  79           1HB      GLU  79   6.294   1.117 -13.732
  639    HB3  GLU  79           2HB      GLU  79   7.934   0.943 -13.144
  640    HG2  GLU  79           1HG      GLU  79   7.087   0.918 -16.076
  641    HG3  GLU  79           2HG      GLU  79   7.815   2.271 -15.222
  642    H    VAL  80           H        VAL  80   4.823  -1.744 -12.970
  643    HA   VAL  80           HA       VAL  80   5.284  -0.954 -10.224
  644    HB   VAL  80           HB       VAL  80   2.904  -2.440 -11.385
  645   HG11  VAL  80          1HG1      VAL  80   2.981  -2.710  -8.954
  646   HG12  VAL  80          2HG1      VAL  80   3.310  -0.987  -8.736
  647   HG13  VAL  80          3HG1      VAL  80   1.732  -1.531  -9.357
  648   HG21  VAL  80          3HG2      VAL  80   1.814  -0.222 -11.378
  649   HG22  VAL  80          1HG2      VAL  80   3.331   0.530 -10.833
  650   HG23  VAL  80          2HG2      VAL  80   3.223  -0.215 -12.438
  651    HA   PRO  81           HA       PRO  81   6.725  -5.092  -9.020
  652    HB2  PRO  81           1HB      PRO  81   7.660  -4.552  -6.535
  653    HB3  PRO  81           2HB      PRO  81   8.452  -3.899  -8.001
  654    HG2  PRO  81           1HG      PRO  81   6.434  -2.515  -6.207
  655    HG3  PRO  81           2HG      PRO  81   8.025  -1.898  -6.758
  656    HD2  PRO  81           1HD      PRO  81   5.680  -1.267  -8.038
  657    HD3  PRO  81           2HD      PRO  81   7.216  -1.472  -8.921
  658    H    ALA  82           H        ALA  82   6.354  -6.635  -7.211
  659    HA   ALA  82           HA       ALA  82   3.968  -6.244  -5.535
  660    HB1  ALA  82           1HB      ALA  82   3.094  -7.233  -7.643
  661    HB2  ALA  82           2HB      ALA  82   4.256  -8.569  -7.501
  662    HB3  ALA  82           3HB      ALA  82   2.964  -8.380  -6.298
  663    H    VAL  83           H        VAL  83   3.917  -7.660  -3.704
  664    HA   VAL  83           HA       VAL  83   6.386  -8.267  -2.599
  665    HB   VAL  83           HB       VAL  83   4.010  -7.745  -1.625
  666   HG11  VAL  83          1HG1      VAL  83   2.910  -9.858  -2.346
  667   HG12  VAL  83          2HG1      VAL  83   3.961 -10.761  -1.229
  668   HG13  VAL  83          3HG1      VAL  83   2.816  -9.564  -0.602
  669   HG21  VAL  83          3HG2      VAL  83   4.759  -8.420   0.572
  670   HG22  VAL  83          1HG2      VAL  83   5.992  -9.486  -0.150
  671   HG23  VAL  83          2HG2      VAL  83   6.065  -7.721  -0.402
  672    H    GLY  84           H        GLY  84   4.607 -10.269  -4.733
  673    HA2  GLY  84           1HA      GLY  84   6.616 -12.360  -4.668
  674    HA3  GLY  84           2HA      GLY  84   5.053 -12.918  -4.086
  675    H    ILE  85           H        ILE  85   6.342 -13.881  -6.409
  676    HA   ILE  85           HA       ILE  85   4.614 -12.926  -8.669
  677    HB   ILE  85           HB       ILE  85   7.355 -14.243  -8.766
  678   HG12  ILE  85          1HG1      ILE  85   7.609 -11.983  -7.861
  679   HG13  ILE  85          2HG1      ILE  85   8.297 -12.143  -9.452
  680   HG21  ILE  85          1HG2      ILE  85   6.083 -14.780 -10.756
  681   HG22  ILE  85          2HG2      ILE  85   5.595 -13.089 -10.972
  682   HG23  ILE  85          3HG2      ILE  85   7.294 -13.568 -11.177
  683   HD11  ILE  85          3HD1      ILE  85   7.148  -9.984  -9.164
  684   HD12  ILE  85          1HD1      ILE  85   6.379 -10.927 -10.448
  685   HD13  ILE  85          2HD1      ILE  85   5.616 -10.811  -8.844
  686    H    VAL  86           H        VAL  86   3.197 -14.365  -9.448
  687    HA   VAL  86           HA       VAL  86   3.555 -17.235  -9.427
  688    HB   VAL  86           HB       VAL  86   2.997 -16.878  -7.056
  689   HG11  VAL  86          1HG1      VAL  86   1.636 -14.808  -7.236
  690   HG12  VAL  86          2HG1      VAL  86   0.303 -15.769  -7.923
  691   HG13  VAL  86          3HG1      VAL  86   0.865 -16.073  -6.273
  692   HG21  VAL  86          3HG2      VAL  86   1.168 -18.465  -6.826
  693   HG22  VAL  86          1HG2      VAL  86   0.733 -18.258  -8.531
  694   HG23  VAL  86          2HG2      VAL  86   2.302 -18.973  -8.081
  695    HA   PRO  87           HA       PRO  87   0.760 -16.312 -12.786
  696    HB2  PRO  87           1HB      PRO  87   0.206 -18.807 -13.775
  697    HB3  PRO  87           2HB      PRO  87   1.810 -18.027 -13.925
  698    HG2  PRO  87           1HG      PRO  87   0.900 -20.017 -11.818
  699    HG3  PRO  87           2HG      PRO  87   2.383 -20.079 -12.827
  700    HD2  PRO  87           1HD      PRO  87   2.427 -19.086 -10.308
  701    HD3  PRO  87           2HD      PRO  87   3.399 -18.331 -11.601
  702    HA   PRO  88           HA       PRO  88  -3.436 -16.576 -11.404
  703    HB2  PRO  88           1HB      PRO  88  -4.211 -17.491 -14.179
  704    HB3  PRO  88           2HB      PRO  88  -4.935 -16.194 -13.178
  705    HG2  PRO  88           1HG      PRO  88  -3.230 -15.565 -15.182
  706    HG3  PRO  88           2HG      PRO  88  -3.080 -14.740 -13.593
  707    HD2  PRO  88           1HD      PRO  88  -1.468 -17.079 -14.657
  708    HD3  PRO  88           2HD      PRO  88  -0.906 -15.590 -13.837
  709    HA   PRO  89           HA       PRO  89  -4.256 -20.899 -10.512
  710    HB2  PRO  89           1HB      PRO  89  -6.706 -20.782  -9.325
  711    HB3  PRO  89           2HB      PRO  89  -5.244 -20.073  -8.574
  712    HG2  PRO  89           1HG      PRO  89  -7.352 -18.652 -10.238
  713    HG3  PRO  89           2HG      PRO  89  -6.707 -18.176  -8.633
  714    HD2  PRO  89           1HD      PRO  89  -5.738 -17.118 -10.953
  715    HD3  PRO  89           2HD      PRO  89  -4.662 -17.459  -9.564
  716    H    SER  90           H        SER  90  -5.747 -22.686 -11.003
  717    HA   SER  90           HA       SER  90  -7.674 -22.347 -13.227
  718    HB2  SER  90           1HB      SER  90  -5.172 -24.077 -13.398
  719    HB3  SER  90           2HB      SER  90  -6.558 -24.210 -14.488
  720    HG   SER  90           HG       SER  90  -5.020 -21.834 -14.111
  721    H    GLY  91           H        GLY  91  -9.100 -24.103 -13.475
  722    HA2  GLY  91           1HA      GLY  91 -10.229 -26.069 -12.892
  723    HA3  GLY  91           2HA      GLY  91  -9.042 -26.397 -11.615
  724    HA   PRO  92           HA       PRO  92 -13.162 -25.027  -9.813
  725    HB2  PRO  92           1HB      PRO  92 -12.498 -27.373  -8.031
  726    HB3  PRO  92           2HB      PRO  92 -14.088 -26.855  -8.672
  727    HG2  PRO  92           1HG      PRO  92 -12.783 -28.947  -9.793
  728    HG3  PRO  92           2HG      PRO  92 -13.575 -27.724 -10.841
  729    HD2  PRO  92           1HD      PRO  92 -10.647 -27.925 -10.077
  730    HD3  PRO  92           2HD      PRO  92 -11.378 -27.658 -11.688
  731    H    SER  93           H        SER  93 -13.297 -23.549  -8.139
  732    HA   SER  93           HA       SER  93 -10.911 -22.923  -6.581
  733    HB2  SER  93           1HB      SER  93 -12.342 -21.047  -5.760
  734    HB3  SER  93           2HB      SER  93 -12.167 -21.126  -7.518
  735    HG   SER  93           HG       SER  93 -14.357 -20.748  -6.861
  736    H    SER  94           H        SER  94 -13.552 -25.005  -6.014
  737    HA   SER  94           HA       SER  94 -13.530 -24.754  -3.074
  738    HB2  SER  94           1HB      SER  94 -15.044 -26.670  -4.881
  739    HB3  SER  94           2HB      SER  94 -15.311 -26.424  -3.148
  740    HG   SER  94           HG       SER  94 -16.807 -25.229  -4.431
  741    H    GLY  95           H        GLY  95 -11.503 -26.390  -5.199
  742    HA2  GLY  95           1HA      GLY  95 -10.161 -27.936  -3.221
  743    HA3  GLY  95           2HA      GLY  95 -11.255 -29.009  -4.088
  Start of MODEL    7
    1    H1   GLY  -3           1H       GLY  -3  17.544  -7.024   8.578
    2    H2   GLY  -3           2H       GLY  -3  16.729  -6.454   7.277
    3    H3   GLY  -3           3H       GLY  -3  16.316  -5.960   8.785
    4    HA2  GLY  -3           1HA      GLY  -3  15.595  -8.176   9.384
    5    HA3  GLY  -3           2HA      GLY  -3  14.699  -7.542   7.991
    6    H    SER  -2           H        SER  -2  15.563 -10.362   8.940
    7    HA   SER  -2           HA       SER  -2  17.408 -11.304   6.896
    8    HB2  SER  -2           1HB      SER  -2  15.749 -12.882   8.888
    9    HB3  SER  -2           2HB      SER  -2  17.178 -13.444   8.005
   10    HG   SER  -2           HG       SER  -2  17.694 -12.781  10.155
   11    H    SER  -1           H        SER  -1  14.076 -10.753   6.665
   12    HA   SER  -1           HA       SER  -1  13.796 -12.186   4.167
   13    HB2  SER  -1           1HB      SER  -1  13.470 -14.008   5.923
   14    HB3  SER  -1           2HB      SER  -1  12.022 -13.135   6.445
   15    HG   SER  -1           HG       SER  -1  11.605 -14.814   4.875
   16    H    GLY   0           H        GLY   0  11.382 -12.023   3.452
   17    HA2  GLY   0           1HA      GLY   0   9.442 -10.753   3.107
   18    HA3  GLY   0           2HA      GLY   0   9.921  -9.637   4.399
   19    H    SER   1           H        SER   1   8.996  -8.172   2.685
   20    HA   SER   1           HA       SER   1  11.102  -6.760   1.294
   21    HB2  SER   1           1HB      SER   1  10.600  -8.638  -0.313
   22    HB3  SER   1           2HB      SER   1   8.947  -8.018  -0.445
   23    HG   SER   1           HG       SER   1  10.455  -7.262  -2.098
   24    H    SER   2           H        SER   2  10.061  -4.968  -0.069
   25    HA   SER   2           HA       SER   2   7.458  -3.891   0.681
   26    HB2  SER   2           1HB      SER   2   9.977  -2.677   1.881
   27    HB3  SER   2           2HB      SER   2   8.455  -1.790   1.733
   28    HG   SER   2           HG       SER   2   8.416  -4.318   2.956
   29    H    GLY   3           H        GLY   3   8.934  -4.583  -1.772
   30    HA2  GLY   3           1HA      GLY   3  10.243  -2.358  -2.942
   31    HA3  GLY   3           2HA      GLY   3   9.599  -3.765  -3.818
   32    H    ILE   4           H        ILE   4   6.814  -3.252  -3.076
   33    HA   ILE   4           HA       ILE   4   6.138  -1.152  -4.999
   34    HB   ILE   4           HB       ILE   4   4.819  -3.226  -4.777
   35   HG12  ILE   4          1HG1      ILE   4   2.581  -2.286  -4.861
   36   HG13  ILE   4          2HG1      ILE   4   3.129  -0.758  -4.173
   37   HG21  ILE   4          1HG2      ILE   4   4.901  -3.500  -2.307
   38   HG22  ILE   4          2HG2      ILE   4   3.830  -2.091  -2.123
   39   HG23  ILE   4          3HG2      ILE   4   3.249  -3.558  -2.928
   40   HD11  ILE   4          3HD1      ILE   4   2.788  -0.716  -6.644
   41   HD12  ILE   4          1HD1      ILE   4   4.453  -0.318  -6.204
   42   HD13  ILE   4          2HD1      ILE   4   4.060  -1.941  -6.827
   43    H    LYS   5           H        LYS   5   6.428  -1.283  -1.524
   44    HA   LYS   5           HA       LYS   5   5.133   1.265  -0.977
   45    HB2  LYS   5           1HB      LYS   5   5.816  -0.920   0.503
   46    HB3  LYS   5           2HB      LYS   5   7.209   0.079   0.866
   47    HG2  LYS   5           1HG      LYS   5   4.324   1.027   1.163
   48    HG3  LYS   5           2HG      LYS   5   5.149   0.118   2.415
   49    HD2  LYS   5           1HD      LYS   5   6.133   2.808   1.371
   50    HD3  LYS   5           2HD      LYS   5   5.100   2.569   2.786
   51    HE2  LYS   5           1HE      LYS   5   6.971   0.893   3.571
   52    HE3  LYS   5           2HE      LYS   5   7.995   1.754   2.412
   53    HZ1  LYS   5           3HZ      LYS   5   8.149   2.764   4.595
   54    HZ2  LYS   5           1HZ      LYS   5   7.370   3.828   3.623
   55    HZ3  LYS   5           2HZ      LYS   5   6.527   2.926   4.715
   56    H    ASN   6           H        ASN   6   8.483   0.179  -1.503
   57    HA   ASN   6           HA       ASN   6   9.675   2.809  -1.446
   58    HB2  ASN   6           1HB      ASN   6  10.908   0.663  -1.127
   59    HB3  ASN   6           2HB      ASN   6  10.594   0.253  -2.815
   60   HD21  ASN   6          2HD2      ASN   6  12.395   0.622  -4.085
   61   HD22  ASN   6          1HD2      ASN   6  13.515   1.950  -3.844
   62    H    PHE   7           H        PHE   7   8.092   0.931  -4.066
   63    HA   PHE   7           HA       PHE   7   8.984   2.569  -6.231
   64    HB2  PHE   7           1HB      PHE   7   8.080   0.340  -6.572
   65    HB3  PHE   7           2HB      PHE   7   6.520   0.830  -5.919
   66    HD1  PHE   7           2HD      PHE   7   8.861   1.299  -8.787
   67    HD2  PHE   7           1HD      PHE   7   4.885   1.960  -7.260
   68    HE1  PHE   7           2HE      PHE   7   8.103   1.988 -11.046
   69    HE2  PHE   7           1HE      PHE   7   4.133   2.654  -9.517
   70    HZ   PHE   7           HZ       PHE   7   5.737   2.661 -11.420
   71    H    LEU   8           H        LEU   8   5.991   2.799  -4.200
   72    HA   LEU   8           HA       LEU   8   4.982   5.109  -5.548
   73    HB2  LEU   8           1HB      LEU   8   3.675   3.682  -3.984
   74    HB3  LEU   8           2HB      LEU   8   4.658   4.272  -2.630
   75    HG   LEU   8           HG       LEU   8   3.790   6.516  -2.857
   76   HD11  LEU   8          1HD1      LEU   8   3.539   6.752  -5.302
   77   HD12  LEU   8          2HD1      LEU   8   2.225   5.557  -5.299
   78   HD13  LEU   8          3HD1      LEU   8   2.031   7.130  -4.489
   79   HD21  LEU   8          3HD2      LEU   8   1.426   6.125  -2.333
   80   HD22  LEU   8          1HD2      LEU   8   1.502   4.517  -3.086
   81   HD23  LEU   8          2HD2      LEU   8   2.426   4.856  -1.608
   82    H    TYR   9           H        TYR   9   7.190   4.829  -2.740
   83    HA   TYR   9           HA       TYR   9   7.510   7.609  -2.293
   84    HB2  TYR   9           1HB      TYR   9   8.138   5.765  -0.745
   85    HB3  TYR   9           2HB      TYR   9   9.484   5.349  -1.791
   86    HD1  TYR   9           2HD      TYR   9   8.150   7.833   0.599
   87    HD2  TYR   9           1HD      TYR   9  11.504   6.738  -1.878
   88    HE1  TYR   9           2HE      TYR   9   9.557   9.512   1.775
   89    HE2  TYR   9           1HE      TYR   9  12.918   8.422  -0.708
   90    HH   TYR   9           HH       TYR   9  11.638  10.485   1.939
   91    H    ALA  10           H        ALA  10   9.426   5.411  -4.382
   92    HA   ALA  10           HA       ALA  10  11.253   7.403  -5.350
   93    HB1  ALA  10           1HB      ALA  10  11.680   4.969  -5.418
   94    HB2  ALA  10           2HB      ALA  10  10.352   4.758  -6.582
   95    HB3  ALA  10           3HB      ALA  10  11.798   5.684  -7.036
   96    H    TRP  11           H        TRP  11   8.111   6.251  -6.672
   97    HA   TRP  11           HA       TRP  11   8.095   7.821  -9.053
   98    HB2  TRP  11           1HB      TRP  11   6.566   5.967  -8.631
   99    HB3  TRP  11           2HB      TRP  11   5.855   6.800  -7.268
  100    HD1  TRP  11           HD       TRP  11   5.767   6.736 -11.072
  101    HE1  TRP  11           1HE      TRP  11   3.730   8.065 -11.893
  102    HE3  TRP  11           3HE      TRP  11   4.275   8.768  -6.623
  103    HZ2  TRP  11           2HZ      TRP  11   1.891  10.013 -10.796
  104    HZ3  TRP  11           3HZ      TRP  11   2.352  10.324  -6.527
  105    HH2  TRP  11           HH       TRP  11   1.153  10.960  -8.609
  106    H    CYS  12           H        CYS  12   6.808   8.546  -5.794
  107    HA   CYS  12           HA       CYS  12   6.007  11.253  -6.261
  108    HB2  CYS  12           1HB      CYS  12   7.074   9.850  -3.773
  109    HB3  CYS  12           2HB      CYS  12   6.416  11.488  -3.772
  110    HG   CYS  12           HG       CYS  12   4.952   8.634  -4.499
  111    H    GLY  13           H        GLY  13   9.210  10.002  -5.204
  112    HA2  GLY  13           1HA      GLY  13  10.493  12.527  -4.962
  113    HA3  GLY  13           2HA      GLY  13  11.303  10.956  -5.177
  114    H    LYS  14           H        LYS  14   9.968  10.550  -7.857
  115    HA   LYS  14           HA       LYS  14  11.793  12.115  -9.555
  116    HB2  LYS  14           1HB      LYS  14   9.676   9.987 -10.065
  117    HB3  LYS  14           2HB      LYS  14  10.550  10.794 -11.373
  118    HG2  LYS  14           1HG      LYS  14  12.692   9.998 -10.562
  119    HG3  LYS  14           2HG      LYS  14  11.951   9.289  -9.121
  120    HD2  LYS  14           1HD      LYS  14  10.630   7.744 -10.548
  121    HD3  LYS  14           2HD      LYS  14  11.384   8.449 -11.998
  122    HE2  LYS  14           1HE      LYS  14  13.628   7.776 -11.133
  123    HE3  LYS  14           2HE      LYS  14  12.860   7.054  -9.713
  124    HZ1  LYS  14           3HZ      LYS  14  13.326   5.390 -11.413
  125    HZ2  LYS  14           1HZ      LYS  14  11.710   5.510 -11.209
  126    HZ3  LYS  14           2HZ      LYS  14  12.425   6.182 -12.520
  127    H    ARG  15           H        ARG  15   8.777  12.725  -8.220
  128    HA   ARG  15           HA       ARG  15   8.007  14.749 -10.283
  129    HB2  ARG  15           1HB      ARG  15   6.305  13.115  -8.363
  130    HB3  ARG  15           2HB      ARG  15   5.695  14.364  -9.460
  131    HG2  ARG  15           1HG      ARG  15   6.486  13.025 -11.411
  132    HG3  ARG  15           2HG      ARG  15   7.081  11.786 -10.329
  133    HD2  ARG  15           1HD      ARG  15   4.988  11.042 -11.145
  134    HD3  ARG  15           2HD      ARG  15   4.779  11.444  -9.445
  135    HE   ARG  15           HE       ARG  15   3.745  13.598 -10.166
  136   HH11  ARG  15          1HH1      ARG  15   3.681  10.975 -12.605
  137   HH12  ARG  15          2HH1      ARG  15   2.228  11.675 -13.314
  138   HH21  ARG  15          1HH2      ARG  15   1.910  14.346 -11.286
  139   HH22  ARG  15          2HH2      ARG  15   1.326  13.379 -12.638
  140    H    LYS  16           H        LYS  16   9.644  14.761  -7.533
  141    HA   LYS  16           HA       LYS  16  10.095  16.197  -5.854
  142    HB2  LYS  16           1HB      LYS  16   8.442  18.229  -7.409
  143    HB3  LYS  16           2HB      LYS  16   9.592  18.569  -6.119
  144    HG2  LYS  16           1HG      LYS  16  11.430  17.595  -7.486
  145    HG3  LYS  16           2HG      LYS  16  10.284  17.330  -8.815
  146    HD2  LYS  16           1HD      LYS  16   9.824  19.774  -8.912
  147    HD3  LYS  16           2HD      LYS  16  10.925  20.031  -7.555
  148    HE2  LYS  16           1HE      LYS  16  12.128  20.609  -9.527
  149    HE3  LYS  16           2HE      LYS  16  12.808  19.099  -8.919
  150    HZ1  LYS  16           3HZ      LYS  16  12.469  19.052 -11.325
  151    HZ2  LYS  16           1HZ      LYS  16  11.526  17.921 -10.625
  152    HZ3  LYS  16           2HZ      LYS  16  10.868  19.322 -11.161
  153    H    MET  17           H        MET  17   7.888  14.427  -5.488
  154    HA   MET  17           HA       MET  17   6.260  15.838  -3.395
  155    HB2  MET  17           1HB      MET  17   5.532  13.444  -5.138
  156    HB3  MET  17           2HB      MET  17   4.523  14.115  -3.857
  157    HG2  MET  17           1HG      MET  17   4.531  16.314  -5.109
  158    HG3  MET  17           2HG      MET  17   5.309  15.477  -6.448
  159    HE1  MET  17           3HE      MET  17   2.526  12.857  -7.481
  160    HE2  MET  17           1HE      MET  17   4.219  13.343  -7.660
  161    HE3  MET  17           2HE      MET  17   3.672  12.539  -6.172
  162    H    THR  18           H        THR  18   5.424  14.269  -1.757
  163    HA   THR  18           HA       THR  18   7.142  11.928  -1.131
  164    HB   THR  18           HB       THR  18   6.461  14.091   0.900
  165    HG1  THR  18           1HG      THR  18   8.683  14.499   0.831
  166   HG21  THR  18          3HG2      THR  18   8.024  12.819   2.360
  167   HG22  THR  18          1HG2      THR  18   6.624  11.839   1.920
  168   HG23  THR  18          2HG2      THR  18   8.182  11.571   1.106
  169    HA   PRO  19           HA       PRO  19   2.860  10.636  -0.361
  170    HB2  PRO  19           1HB      PRO  19   3.217   8.003   0.208
  171    HB3  PRO  19           2HB      PRO  19   3.461   8.658  -1.441
  172    HG2  PRO  19           1HG      PRO  19   5.561   8.082   0.668
  173    HG3  PRO  19           2HG      PRO  19   5.578   7.636  -1.065
  174    HD2  PRO  19           1HD      PRO  19   6.846   9.865  -0.026
  175    HD3  PRO  19           2HD      PRO  19   6.199   9.809  -1.686
  176    H    ALA  20           H        ALA  20   1.558  10.530   1.426
  177    HA   ALA  20           HA       ALA  20   2.871  10.473   4.120
  178    HB1  ALA  20           1HB      ALA  20   1.935  12.658   3.504
  179    HB2  ALA  20           2HB      ALA  20   0.357  11.905   3.171
  180    HB3  ALA  20           3HB      ALA  20   1.009  11.912   4.825
  181    H    TYR  21           H        TYR  21   2.518   8.695   5.204
  182    HA   TYR  21           HA       TYR  21   0.190   6.946   4.629
  183    HB2  TYR  21           1HB      TYR  21   2.793   6.447   6.117
  184    HB3  TYR  21           2HB      TYR  21   1.498   5.275   5.964
  185    HD1  TYR  21           2HD      TYR  21   4.148   7.090   4.101
  186    HD2  TYR  21           1HD      TYR  21   1.115   4.033   3.927
  187    HE1  TYR  21           2HE      TYR  21   5.080   6.282   1.942
  188    HE2  TYR  21           1HE      TYR  21   2.045   3.220   1.772
  189    HH   TYR  21           HH       TYR  21   3.607   3.586   0.109
  190    H    GLU  22           H        GLU  22  -1.081   6.039   6.309
  191    HA   GLU  22           HA       GLU  22  -0.763   7.016   9.080
  192    HB2  GLU  22           1HB      GLU  22  -2.240   8.675   7.938
  193    HB3  GLU  22           2HB      GLU  22  -3.380   7.377   7.555
  194    HG2  GLU  22           1HG      GLU  22  -3.764   6.969   9.950
  195    HG3  GLU  22           2HG      GLU  22  -2.500   8.124  10.382
  196    H    ILE  23           H        ILE  23  -1.431   5.518  10.591
  197    HA   ILE  23           HA       ILE  23  -2.416   2.883   9.557
  198    HB   ILE  23           HB       ILE  23  -0.092   3.493  11.417
  199   HG12  ILE  23          1HG1      ILE  23  -0.304   2.037   8.741
  200   HG13  ILE  23          2HG1      ILE  23   0.361   3.653   8.985
  201   HG21  ILE  23          1HG2      ILE  23  -1.312   1.562  12.375
  202   HG22  ILE  23          2HG2      ILE  23  -1.265   0.742  10.794
  203   HG23  ILE  23          3HG2      ILE  23   0.222   1.065  11.709
  204   HD11  ILE  23          3HD1      ILE  23   2.207   2.218   8.741
  205   HD12  ILE  23          1HD1      ILE  23   2.136   2.612  10.470
  206   HD13  ILE  23          2HD1      ILE  23   1.562   1.028   9.880
  207    H    ARG  24           H        ARG  24  -3.613   1.613  10.870
  208    HA   ARG  24           HA       ARG  24  -4.774   2.709  13.390
  209    HB2  ARG  24           1HB      ARG  24  -6.116   3.499  11.466
  210    HB3  ARG  24           2HB      ARG  24  -6.246   1.837  10.888
  211    HG2  ARG  24           1HG      ARG  24  -7.653   1.196  12.733
  212    HG3  ARG  24           2HG      ARG  24  -7.367   2.738  13.560
  213    HD2  ARG  24           1HD      ARG  24  -9.586   2.638  12.457
  214    HD3  ARG  24           2HD      ARG  24  -8.590   3.959  11.866
  215    HE   ARG  24           HE       ARG  24  -9.194   1.398  10.426
  216   HH11  ARG  24          1HH2      ARG  24  -8.124   4.791  10.152
  217   HH12  ARG  24          2HH2      ARG  24  -8.149   4.716   8.402
  218   HH21  ARG  24          1HH1      ARG  24  -9.175   1.447   8.174
  219   HH22  ARG  24          2HH1      ARG  24  -8.731   2.927   7.353
  220    H    ALA  25           H        ALA  25  -5.439   1.118  14.794
  221    HA   ALA  25           HA       ALA  25  -4.628  -1.685  14.172
  222    HB1  ALA  25           1HB      ALA  25  -3.650  -0.613  16.170
  223    HB2  ALA  25           2HB      ALA  25  -5.279  -0.358  16.836
  224    HB3  ALA  25           3HB      ALA  25  -4.660  -2.006  16.599
  225    H    VAL  26           H        VAL  26  -6.009  -3.392  14.231
  226    HA   VAL  26           HA       VAL  26  -8.880  -3.059  14.918
  227    HB   VAL  26           HB       VAL  26  -9.567  -4.110  12.767
  228   HG11  VAL  26          1HG1      VAL  26  -9.775  -1.659  13.142
  229   HG12  VAL  26          2HG1      VAL  26  -8.214  -1.425  12.318
  230   HG13  VAL  26          3HG1      VAL  26  -9.596  -2.110  11.442
  231   HG21  VAL  26          3HG2      VAL  26  -8.114  -4.048  10.799
  232   HG22  VAL  26          1HG2      VAL  26  -6.760  -3.440  11.768
  233   HG23  VAL  26          2HG2      VAL  26  -7.399  -5.074  12.045
  234    H    GLY  27           H        GLY  27 -10.054  -5.141  14.914
  235    HA2  GLY  27           1HA      GLY  27 -10.244  -7.457  15.136
  236    HA3  GLY  27           2HA      GLY  27  -8.504  -7.632  14.851
  237    H    ASN  28           H        ASN  28  -8.729  -9.263  16.474
  238    HA   ASN  28           HA       ASN  28  -9.565  -8.769  19.157
  239    HB2  ASN  28           1HB      ASN  28  -9.675 -10.942  18.006
  240    HB3  ASN  28           2HB      ASN  28  -7.914 -11.003  17.903
  241   HD21  ASN  28          2HD2      ASN  28 -10.704 -11.360  20.073
  242   HD22  ASN  28          1HD2      ASN  28  -9.772 -12.020  21.405
  243    H    LYS  29           H        LYS  29  -8.391  -8.590  21.107
  244    HA   LYS  29           HA       LYS  29  -6.081  -6.926  21.059
  245    HB2  LYS  29           1HB      LYS  29  -7.167  -8.600  23.379
  246    HB3  LYS  29           2HB      LYS  29  -6.095  -7.194  23.485
  247    HG2  LYS  29           1HG      LYS  29  -7.929  -5.903  22.252
  248    HG3  LYS  29           2HG      LYS  29  -9.006  -7.262  22.600
  249    HD2  LYS  29           1HD      LYS  29  -8.565  -7.005  25.032
  250    HD3  LYS  29           2HD      LYS  29  -7.507  -5.617  24.690
  251    HE2  LYS  29           1HE      LYS  29  -9.418  -4.426  23.629
  252    HE3  LYS  29           2HE      LYS  29 -10.472  -5.803  23.979
  253    HZ1  LYS  29           3HZ      LYS  29 -10.693  -4.072  25.658
  254    HZ2  LYS  29           1HZ      LYS  29 -10.079  -5.418  26.350
  255    HZ3  LYS  29           2HZ      LYS  29  -9.103  -4.145  26.026
  256    H    ASN  30           H        ASN  30  -6.361 -10.374  21.600
  257    HA   ASN  30           HA       ASN  30  -3.506 -10.769  22.182
  258    HB2  ASN  30           1HB      ASN  30  -5.278 -12.086  23.290
  259    HB3  ASN  30           2HB      ASN  30  -5.744 -12.786  21.740
  260   HD21  ASN  30          2HD2      ASN  30  -3.157 -12.676  24.205
  261   HD22  ASN  30          1HD2      ASN  30  -2.371 -14.146  23.657
  262    H    ARG  31           H        ARG  31  -5.610 -11.155  19.360
  263    HA   ARG  31           HA       ARG  31  -3.207 -11.669  17.651
  264    HB2  ARG  31           1HB      ARG  31  -4.834 -13.609  17.952
  265    HB3  ARG  31           2HB      ARG  31  -5.995 -12.696  17.010
  266    HG2  ARG  31           1HG      ARG  31  -3.201 -13.585  16.123
  267    HG3  ARG  31           2HG      ARG  31  -4.706 -14.394  15.719
  268    HD2  ARG  31           1HD      ARG  31  -3.813 -11.654  14.756
  269    HD3  ARG  31           2HD      ARG  31  -3.905 -13.124  13.807
  270    HE   ARG  31           HE       ARG  31  -6.123 -11.397  14.701
  271   HH11  ARG  31          1HH1      ARG  31  -5.368 -14.538  13.240
  272   HH12  ARG  31          2HH1      ARG  31  -6.979 -14.737  12.617
  273   HH21  ARG  31          1HH2      ARG  31  -8.175 -11.718  13.858
  274   HH22  ARG  31          2HH2      ARG  31  -8.543 -13.162  12.968
  275    H    GLN  32           H        GLN  32  -2.988  -9.377  17.651
  276    HA   GLN  32           HA       GLN  32  -5.115  -7.670  16.682
  277    HB2  GLN  32           1HB      GLN  32  -3.207  -7.232  18.445
  278    HB3  GLN  32           2HB      GLN  32  -2.197  -6.912  17.039
  279    HG2  GLN  32           1HG      GLN  32  -2.970  -4.811  17.758
  280    HG3  GLN  32           2HG      GLN  32  -3.960  -5.162  16.348
  281   HE21  GLN  32          2HE2      GLN  32  -6.286  -5.240  16.676
  282   HE22  GLN  32          1HE2      GLN  32  -6.993  -5.107  18.272
  283    H    LYS  33           H        LYS  33  -5.173  -6.444  14.797
  284    HA   LYS  33           HA       LYS  33  -3.231  -6.992  12.605
  285    HB2  LYS  33           1HB      LYS  33  -6.276  -7.112  12.547
  286    HB3  LYS  33           2HB      LYS  33  -5.324  -6.805  11.093
  287    HG2  LYS  33           1HG      LYS  33  -4.127  -8.942  11.386
  288    HG3  LYS  33           2HG      LYS  33  -5.066  -9.285  12.851
  289    HD2  LYS  33           1HD      LYS  33  -7.147  -9.283  11.562
  290    HD3  LYS  33           2HD      LYS  33  -6.286  -8.851  10.080
  291    HE2  LYS  33           1HE      LYS  33  -5.735 -11.394  11.682
  292    HE3  LYS  33           2HE      LYS  33  -6.912 -11.309  10.367
  293    HZ1  LYS  33           3HZ      LYS  33  -4.809 -12.115   9.546
  294    HZ2  LYS  33           1HZ      LYS  33  -5.100 -10.659   8.871
  295    HZ3  LYS  33           2HZ      LYS  33  -3.994 -10.809  10.076
  296    H    PHE  34           H        PHE  34  -3.364  -5.338  10.891
  297    HA   PHE  34           HA       PHE  34  -3.968  -2.618  11.952
  298    HB2  PHE  34           1HB      PHE  34  -1.376  -3.533  10.648
  299    HB3  PHE  34           2HB      PHE  34  -1.764  -1.886  11.136
  300    HD1  PHE  34           2HD      PHE  34  -2.190  -1.391  13.613
  301    HD2  PHE  34           1HD      PHE  34  -0.468  -5.091  12.223
  302    HE1  PHE  34           2HE      PHE  34  -1.375  -1.877  15.910
  303    HE2  PHE  34           1HE      PHE  34   0.354  -5.571  14.516
  304    HZ   PHE  34           HZ       PHE  34  -0.104  -3.968  16.365
  305    H    MET  35           H        MET  35  -4.660  -1.183  10.562
  306    HA   MET  35           HA       MET  35  -4.846  -1.803   7.641
  307    HB2  MET  35           1HB      MET  35  -6.376   0.336   9.171
  308    HB3  MET  35           2HB      MET  35  -6.591  -0.165   7.497
  309    HG2  MET  35           1HG      MET  35  -7.248  -2.478   8.430
  310    HG3  MET  35           2HG      MET  35  -7.252  -1.707  10.017
  311    HE1  MET  35           3HE      MET  35 -10.254  -0.990   6.584
  312    HE2  MET  35           1HE      MET  35  -8.523  -0.649   6.376
  313    HE3  MET  35           2HE      MET  35  -9.074  -2.309   6.693
  314    H    CYS  36           H        CYS  36  -4.188  -0.161   6.212
  315    HA   CYS  36           HA       CYS  36  -2.794   2.207   7.328
  316    HB2  CYS  36           1HB      CYS  36  -1.112   0.383   6.872
  317    HB3  CYS  36           2HB      CYS  36  -1.614   0.422   5.167
  318    HG   CYS  36           HG       CYS  36  -1.137   3.073   4.882
  319    H    GLU  37           H        GLU  37  -2.931   3.985   6.107
  320    HA   GLU  37           HA       GLU  37  -4.301   3.904   3.458
  321    HB2  GLU  37           1HB      GLU  37  -4.586   5.931   5.713
  322    HB3  GLU  37           2HB      GLU  37  -5.114   6.222   4.048
  323    HG2  GLU  37           1HG      GLU  37  -6.693   4.365   4.158
  324    HG3  GLU  37           2HG      GLU  37  -6.120   3.915   5.767
  325    H    VAL  38           H        VAL  38  -3.447   5.364   1.924
  326    HA   VAL  38           HA       VAL  38  -1.162   7.066   2.713
  327    HB   VAL  38           HB       VAL  38  -0.216   4.923   1.875
  328   HG11  VAL  38          1HG1      VAL  38  -1.916   4.413   0.123
  329   HG12  VAL  38          2HG1      VAL  38  -1.268   5.753  -0.851
  330   HG13  VAL  38          3HG1      VAL  38  -0.247   4.359  -0.470
  331   HG21  VAL  38          3HG2      VAL  38   1.458   5.964   0.408
  332   HG22  VAL  38          1HG2      VAL  38   0.409   7.355   0.131
  333   HG23  VAL  38          2HG2      VAL  38   1.066   7.046   1.754
  334    H    ARG  39           H        ARG  39  -0.960   8.922   1.662
  335    HA   ARG  39           HA       ARG  39  -2.878   9.671  -0.496
  336    HB2  ARG  39           1HB      ARG  39  -2.471  11.197   2.118
  337    HB3  ARG  39           2HB      ARG  39  -3.546  11.646   0.787
  338    HG2  ARG  39           1HG      ARG  39  -4.829   9.507   1.180
  339    HG3  ARG  39           2HG      ARG  39  -3.821   9.211   2.608
  340    HD2  ARG  39           1HD      ARG  39  -4.595  11.397   3.555
  341    HD3  ARG  39           2HD      ARG  39  -5.699  11.551   2.172
  342    HE   ARG  39           HE       ARG  39  -5.924   9.031   3.673
  343   HH11  ARG  39          1HH1      ARG  39  -7.183  12.331   3.497
  344   HH12  ARG  39          2HH1      ARG  39  -8.638  11.910   4.351
  345   HH21  ARG  39          1HH2      ARG  39  -7.801   8.552   4.793
  346   HH22  ARG  39          2HH2      ARG  39  -8.979   9.808   5.064
  347    H    VAL  40           H        VAL  40  -2.285  11.593  -1.625
  348    HA   VAL  40           HA       VAL  40   0.491  12.623  -1.317
  349    HB   VAL  40           HB       VAL  40  -0.607  11.563  -3.958
  350   HG11  VAL  40          1HG1      VAL  40   0.913  13.475  -4.281
  351   HG12  VAL  40          2HG1      VAL  40   2.132  12.711  -3.238
  352   HG13  VAL  40          3HG1      VAL  40   1.697  11.986  -4.800
  353   HG21  VAL  40          3HG2      VAL  40   1.215   9.862  -3.838
  354   HG22  VAL  40          1HG2      VAL  40   1.600  10.402  -2.196
  355   HG23  VAL  40          2HG2      VAL  40   0.033   9.642  -2.547
  356    H    GLU  41           H        GLU  41   0.637  14.764  -1.759
  357    HA   GLU  41           HA       GLU  41  -1.699  16.360  -1.856
  358    HB2  GLU  41           1HB      GLU  41   0.486  17.016  -0.881
  359    HB3  GLU  41           2HB      GLU  41   1.171  17.149  -2.506
  360    HG2  GLU  41           1HG      GLU  41  -0.439  18.949  -3.049
  361    HG3  GLU  41           2HG      GLU  41  -1.210  18.755  -1.472
  362    H    GLY  42           H        GLY  42  -2.902  17.190  -3.456
  363    HA2  GLY  42           1HA      GLY  42  -3.422  18.040  -5.590
  364    HA3  GLY  42           2HA      GLY  42  -1.950  17.308  -6.268
  365    H    PHE  43           H        PHE  43  -3.447  14.930  -4.449
  366    HA   PHE  43           HA       PHE  43  -5.161  13.957  -6.704
  367    HB2  PHE  43           1HB      PHE  43  -3.347  12.346  -4.868
  368    HB3  PHE  43           2HB      PHE  43  -4.440  11.678  -6.067
  369    HD1  PHE  43           1HD      PHE  43  -3.942  11.852  -8.496
  370    HD2  PHE  43           2HD      PHE  43  -1.270  13.503  -5.542
  371    HE1  PHE  43           1HE      PHE  43  -2.184  12.109 -10.224
  372    HE2  PHE  43           2HE      PHE  43   0.470  13.783  -7.275
  373    HZ   PHE  43           HZ       PHE  43   0.025  13.076  -9.624
  374    H    ASN  44           H        ASN  44  -7.192  13.433  -6.193
  375    HA   ASN  44           HA       ASN  44  -8.143  14.037  -3.503
  376    HB2  ASN  44           1HB      ASN  44  -9.601  13.195  -6.036
  377    HB3  ASN  44           2HB      ASN  44 -10.385  13.740  -4.555
  378   HD21  ASN  44          2HD2      ASN  44  -9.895  14.872  -7.509
  379   HD22  ASN  44          1HD2      ASN  44  -9.550  16.556  -7.157
  380    H    TYR  45           H        TYR  45  -7.232  11.086  -5.025
  381    HA   TYR  45           HA       TYR  45  -9.021   9.354  -3.491
  382    HB2  TYR  45           1HB      TYR  45  -8.224   8.839  -5.786
  383    HB3  TYR  45           2HB      TYR  45  -6.577   8.708  -5.171
  384    HD1  TYR  45           1HD      TYR  45 -10.036   7.336  -4.586
  385    HD2  TYR  45           2HD      TYR  45  -5.797   6.551  -4.577
  386    HE1  TYR  45           1HE      TYR  45 -10.477   4.962  -3.992
  387    HE2  TYR  45           2HE      TYR  45  -6.236   4.169  -4.005
  388    HH   TYR  45           HH       TYR  45  -7.850   2.608  -3.372
  389    H    ALA  46           H        ALA  46  -8.344   7.780  -1.970
  390    HA   ALA  46           HA       ALA  46  -5.695   8.119  -0.652
  391    HB1  ALA  46           1HB      ALA  46  -7.349   9.280   0.766
  392    HB2  ALA  46           2HB      ALA  46  -8.387   7.837   0.768
  393    HB3  ALA  46           3HB      ALA  46  -6.793   7.782   1.545
  394    H    GLY  47           H        GLY  47  -4.658   6.288  -1.042
  395    HA2  GLY  47           1HA      GLY  47  -6.089   3.792  -1.706
  396    HA3  GLY  47           2HA      GLY  47  -4.334   4.055  -1.793
  397    H    MET  48           H        MET  48  -5.939   1.861  -0.554
  398    HA   MET  48           HA       MET  48  -4.831   1.998   2.192
  399    HB2  MET  48           1HB      MET  48  -6.970   1.440   3.162
  400    HB3  MET  48           2HB      MET  48  -7.053   2.980   2.311
  401    HG2  MET  48           1HG      MET  48  -8.142   1.881   0.390
  402    HG3  MET  48           2HG      MET  48  -8.068   0.324   1.207
  403    HE1  MET  48           3HE      MET  48 -10.665   0.629   4.068
  404    HE2  MET  48           1HE      MET  48  -9.524  -0.415   3.197
  405    HE3  MET  48           2HE      MET  48  -8.923   0.907   4.227
  406    H    GLY  49           H        GLY  49  -4.668   0.157   3.358
  407    HA2  GLY  49           1HA      GLY  49  -5.083  -2.510   2.117
  408    HA3  GLY  49           2HA      GLY  49  -3.427  -2.001   2.463
  409    H    ASN  50           H        ASN  50  -4.215  -4.241   3.683
  410    HA   ASN  50           HA       ASN  50  -3.896  -3.509   6.452
  411    HB2  ASN  50           1HB      ASN  50  -5.841  -4.575   7.391
  412    HB3  ASN  50           2HB      ASN  50  -6.379  -3.358   6.246
  413   HD21  ASN  50          2HD2      ASN  50  -7.478  -4.054   4.301
  414   HD22  ASN  50          1HD2      ASN  50  -7.995  -5.720   4.112
  415    H    SER  51           H        SER  51  -3.324  -5.267   7.854
  416    HA   SER  51           HA       SER  51  -3.049  -7.990   6.970
  417    HB2  SER  51           1HB      SER  51  -1.229  -6.855   5.592
  418    HB3  SER  51           2HB      SER  51  -0.424  -6.465   7.114
  419    HG   SER  51           HG       SER  51   0.156  -8.541   5.975
  420    H    THR  52           H        THR  52  -1.294  -9.093   8.552
  421    HA   THR  52           HA       THR  52  -1.999  -8.440  11.338
  422    HB   THR  52           HB       THR  52  -0.038 -10.558  10.431
  423    HG1  THR  52           1HG      THR  52  -1.734 -11.887  10.039
  424   HG21  THR  52          3HG2      THR  52  -1.047 -11.824  12.341
  425   HG22  THR  52          1HG2      THR  52  -0.289 -10.331  12.887
  426   HG23  THR  52          2HG2      THR  52  -2.056 -10.414  12.728
  427    H    ASN  53           H        ASN  53   0.208  -7.154   9.241
  428    HA   ASN  53           HA       ASN  53   1.938  -6.145  11.423
  429    HB2  ASN  53           1HB      ASN  53   3.109  -8.077  10.476
  430    HB3  ASN  53           2HB      ASN  53   2.892  -7.425   8.847
  431   HD21  ASN  53          2HD2      ASN  53   4.967  -7.005   8.176
  432   HD22  ASN  53          1HD2      ASN  53   6.118  -6.050   9.107
  433    H    LYS  54           H        LYS  54   2.967  -4.219  10.980
  434    HA   LYS  54           HA       LYS  54   1.249  -2.336   9.591
  435    HB2  LYS  54           1HB      LYS  54   3.857  -2.045  11.143
  436    HB3  LYS  54           2HB      LYS  54   2.974  -0.676  10.464
  437    HG2  LYS  54           1HG      LYS  54   0.954  -1.315  11.772
  438    HG3  LYS  54           2HG      LYS  54   1.856  -2.655  12.502
  439    HD2  LYS  54           1HD      LYS  54   3.471  -1.065  13.479
  440    HD3  LYS  54           2HD      LYS  54   2.609   0.295  12.726
  441    HE2  LYS  54           1HE      LYS  54   0.564  -0.280  13.994
  442    HE3  LYS  54           2HE      LYS  54   1.384  -1.669  14.718
  443    HZ1  LYS  54           3HZ      LYS  54   1.403   0.243  16.209
  444    HZ2  LYS  54           1HZ      LYS  54   2.934  -0.121  15.777
  445    HZ3  LYS  54           2HZ      LYS  54   2.180   1.167  15.109
  446    H    LYS  55           H        LYS  55   4.530  -3.569   8.813
  447    HA   LYS  55           HA       LYS  55   4.848  -1.761   6.535
  448    HB2  LYS  55           1HB      LYS  55   6.286  -4.315   7.355
  449    HB3  LYS  55           2HB      LYS  55   6.670  -3.379   5.906
  450    HG2  LYS  55           1HG      LYS  55   7.018  -1.345   7.342
  451    HG3  LYS  55           2HG      LYS  55   6.815  -2.349   8.778
  452    HD2  LYS  55           1HD      LYS  55   8.932  -2.743   6.615
  453    HD3  LYS  55           2HD      LYS  55   9.214  -1.897   8.129
  454    HE2  LYS  55           1HE      LYS  55   8.366  -4.827   7.946
  455    HE3  LYS  55           2HE      LYS  55  10.041  -4.289   8.026
  456    HZ1  LYS  55           3HZ      LYS  55   9.227  -4.862  10.222
  457    HZ2  LYS  55           1HZ      LYS  55   9.583  -3.273  10.173
  458    HZ3  LYS  55           2HZ      LYS  55   8.022  -3.760  10.138
  459    H    ASP  56           H        ASP  56   3.643  -5.087   6.868
  460    HA   ASP  56           HA       ASP  56   3.120  -5.539   4.078
  461    HB2  ASP  56           1HB      ASP  56   1.941  -6.712   6.622
  462    HB3  ASP  56           2HB      ASP  56   1.525  -7.266   5.005
  463    H    ALA  57           H        ALA  57   1.210  -3.945   6.634
  464    HA   ALA  57           HA       ALA  57  -1.132  -3.581   4.954
  465    HB1  ALA  57           1HB      ALA  57  -1.178  -3.564   7.438
  466    HB2  ALA  57           2HB      ALA  57  -0.231  -2.061   7.449
  467    HB3  ALA  57           3HB      ALA  57  -1.865  -2.078   6.749
  468    H    GLN  58           H        GLN  58   1.720  -1.505   5.674
  469    HA   GLN  58           HA       GLN  58   0.986   0.725   4.036
  470    HB2  GLN  58           1HB      GLN  58   3.695  -0.411   4.838
  471    HB3  GLN  58           2HB      GLN  58   3.511   1.036   3.856
  472    HG2  GLN  58           1HG      GLN  58   2.443   2.253   5.608
  473    HG3  GLN  58           2HG      GLN  58   2.301   0.814   6.623
  474   HE21  GLN  58          2HE2      GLN  58   3.944   0.584   8.153
  475   HE22  GLN  58          1HE2      GLN  58   5.525   1.343   8.013
  476    H    SER  59           H        SER  59   2.791  -2.305   3.094
  477    HA   SER  59           HA       SER  59   3.228  -1.339   0.417
  478    HB2  SER  59           1HB      SER  59   3.901  -3.617  -0.096
  479    HB3  SER  59           2HB      SER  59   4.632  -3.056   1.415
  480    HG   SER  59           HG       SER  59   3.779  -5.223   1.520
  481    H    ASN  60           H        ASN  60   0.515  -3.137   1.851
  482    HA   ASN  60           HA       ASN  60  -0.870  -3.509  -0.686
  483    HB2  ASN  60           1HB      ASN  60  -1.697  -3.655   2.225
  484    HB3  ASN  60           2HB      ASN  60  -2.900  -3.677   0.933
  485   HD21  ASN  60          2HD2      ASN  60  -0.487  -5.592   2.572
  486   HD22  ASN  60          1HD2      ASN  60  -0.822  -7.060   1.671
  487    H    ALA  61           H        ALA  61  -0.946  -0.902   1.813
  488    HA   ALA  61           HA       ALA  61  -2.951   0.689   0.513
  489    HB1  ALA  61           1HB      ALA  61  -2.184   0.968   2.882
  490    HB2  ALA  61           2HB      ALA  61  -0.628   1.587   2.282
  491    HB3  ALA  61           3HB      ALA  61  -2.123   2.485   1.961
  492    H    ALA  62           H        ALA  62   0.611   0.691   0.193
  493    HA   ALA  62           HA       ALA  62   0.781   2.754  -1.764
  494    HB1  ALA  62           1HB      ALA  62   2.666   1.855  -0.420
  495    HB2  ALA  62           2HB      ALA  62   2.579   0.326  -1.320
  496    HB3  ALA  62           3HB      ALA  62   3.019   1.827  -2.166
  497    H    ARG  63           H        ARG  63   0.566  -0.845  -2.236
  498    HA   ARG  63           HA       ARG  63   0.502  -0.750  -5.038
  499    HB2  ARG  63           1HB      ARG  63   0.773  -2.842  -3.694
  500    HB3  ARG  63           2HB      ARG  63  -0.904  -2.726  -3.185
  501    HG2  ARG  63           1HG      ARG  63  -0.689  -4.365  -4.966
  502    HG3  ARG  63           2HG      ARG  63  -1.680  -3.017  -5.492
  503    HD2  ARG  63           1HD      ARG  63   0.637  -2.135  -6.521
  504    HD3  ARG  63           2HD      ARG  63   1.091  -3.827  -6.404
  505    HE   ARG  63           HE       ARG  63  -1.024  -2.562  -8.075
  506   HH11  ARG  63          1HH1      ARG  63   0.470  -5.664  -7.227
  507   HH12  ARG  63          2HH1      ARG  63  -0.214  -6.447  -8.621
  508   HH21  ARG  63          1HH2      ARG  63  -1.842  -3.586  -9.771
  509   HH22  ARG  63          2HH2      ARG  63  -1.496  -5.271 -10.086
  510    H    ASP  64           H        ASP  64  -2.239  -0.419  -2.754
  511    HA   ASP  64           HA       ASP  64  -4.270  -0.304  -4.767
  512    HB2  ASP  64           1HB      ASP  64  -4.601  -0.863  -2.374
  513    HB3  ASP  64           2HB      ASP  64  -4.259   0.816  -1.945
  514    H    PHE  65           H        PHE  65  -2.275   2.302  -3.296
  515    HA   PHE  65           HA       PHE  65  -3.667   4.398  -4.764
  516    HB2  PHE  65           1HB      PHE  65  -2.403   4.709  -2.608
  517    HB3  PHE  65           2HB      PHE  65  -0.908   4.529  -3.510
  518    HD1  PHE  65           1HD      PHE  65  -3.947   6.621  -3.031
  519    HD2  PHE  65           2HD      PHE  65  -0.120   6.344  -4.976
  520    HE1  PHE  65           1HE      PHE  65  -4.104   9.012  -3.674
  521    HE2  PHE  65           2HE      PHE  65  -0.262   8.753  -5.581
  522    HZ   PHE  65           HZ       PHE  65  -2.262  10.077  -4.959
  523    H    VAL  66           H        VAL  66  -0.656   2.529  -5.340
  524    HA   VAL  66           HA       VAL  66   0.076   3.818  -7.797
  525    HB   VAL  66           HB       VAL  66   0.561   0.990  -6.801
  526   HG11  VAL  66          1HG1      VAL  66   0.749   0.822  -9.221
  527   HG12  VAL  66          2HG1      VAL  66   1.678   2.336  -9.299
  528   HG13  VAL  66          3HG1      VAL  66   2.378   0.889  -8.543
  529   HG21  VAL  66          3HG2      VAL  66   2.771   1.809  -6.283
  530   HG22  VAL  66          1HG2      VAL  66   2.451   3.361  -7.099
  531   HG23  VAL  66          2HG2      VAL  66   1.613   2.954  -5.598
  532    H    ASN  67           H        ASN  67  -2.071   1.036  -7.174
  533    HA   ASN  67           HA       ASN  67  -2.916   0.579  -9.850
  534    HB2  ASN  67           1HB      ASN  67  -4.350   0.219  -7.197
  535    HB3  ASN  67           2HB      ASN  67  -5.110  -0.190  -8.725
  536   HD21  ASN  67          2HD2      ASN  67  -4.732  -2.127  -6.751
  537   HD22  ASN  67          1HD2      ASN  67  -3.574  -3.291  -7.361
  538    H    TYR  68           H        TYR  68  -4.374   2.911  -7.466
  539    HA   TYR  68           HA       TYR  68  -6.210   4.104  -9.299
  540    HB2  TYR  68           1HB      TYR  68  -6.511   4.631  -7.056
  541    HB3  TYR  68           2HB      TYR  68  -4.830   5.032  -6.789
  542    HD1  TYR  68           2HD      TYR  68  -7.943   6.236  -8.474
  543    HD2  TYR  68           1HD      TYR  68  -4.005   7.252  -7.033
  544    HE1  TYR  68           2HE      TYR  68  -8.419   8.649  -8.869
  545    HE2  TYR  68           1HE      TYR  68  -4.469   9.651  -7.435
  546    HH   TYR  68           HH       TYR  68  -6.027  11.217  -8.140
  547    H    LEU  69           H        LEU  69  -2.754   4.993  -8.710
  548    HA   LEU  69           HA       LEU  69  -2.680   7.108 -10.625
  549    HB2  LEU  69           1HB      LEU  69  -0.457   5.277  -9.677
  550    HB3  LEU  69           2HB      LEU  69  -0.244   6.737 -10.636
  551    HG   LEU  69           HG       LEU  69  -1.439   6.755  -7.843
  552   HD11  LEU  69          1HD1      LEU  69   0.868   5.962  -7.766
  553   HD12  LEU  69          2HD1      LEU  69   1.393   7.275  -8.834
  554   HD13  LEU  69          3HD1      LEU  69   0.819   7.633  -7.197
  555   HD21  LEU  69          3HD2      LEU  69  -0.920   9.191  -7.975
  556   HD22  LEU  69          1HD2      LEU  69  -0.498   8.987  -9.688
  557   HD23  LEU  69          2HD2      LEU  69  -2.159   8.689  -9.125
  558    H    VAL  70           H        VAL  70  -2.265   3.611 -11.165
  559    HA   VAL  70           HA       VAL  70  -1.675   3.926 -13.993
  560    HB   VAL  70           HB       VAL  70  -2.740   1.519 -12.487
  561   HG11  VAL  70          1HG1      VAL  70  -3.348   1.222 -14.845
  562   HG12  VAL  70          2HG1      VAL  70  -1.713   1.705 -15.357
  563   HG13  VAL  70          3HG1      VAL  70  -1.969   0.189 -14.472
  564   HG21  VAL  70          3HG2      VAL  70  -0.476   0.655 -12.638
  565   HG22  VAL  70          1HG2      VAL  70   0.049   2.084 -13.553
  566   HG23  VAL  70          2HG2      VAL  70  -0.448   2.241 -11.858
  567    H    ARG  71           H        ARG  71  -4.707   3.415 -12.177
  568    HA   ARG  71           HA       ARG  71  -6.460   3.267 -14.430
  569    HB2  ARG  71           1HB      ARG  71  -6.983   4.262 -11.606
  570    HB3  ARG  71           2HB      ARG  71  -8.232   4.117 -12.837
  571    HG2  ARG  71           1HG      ARG  71  -7.827   1.696 -13.042
  572    HG3  ARG  71           2HG      ARG  71  -6.557   1.793 -11.812
  573    HD2  ARG  71           1HD      ARG  71  -8.241   2.709 -10.194
  574    HD3  ARG  71           2HD      ARG  71  -9.491   2.507 -11.417
  575    HE   ARG  71           HE       ARG  71  -9.174   0.096 -11.344
  576   HH11  ARG  71          1HH1      ARG  71  -7.744   1.790  -8.568
  577   HH12  ARG  71          2HH1      ARG  71  -7.871   0.386  -7.555
  578   HH21  ARG  71          1HH2      ARG  71  -9.337  -1.611  -9.995
  579   HH22  ARG  71          2HH2      ARG  71  -8.748  -1.525  -8.351
  580    H    ILE  72           H        ILE  72  -5.076   6.130 -12.849
  581    HA   ILE  72           HA       ILE  72  -6.456   7.901 -14.827
  582    HB   ILE  72           HB       ILE  72  -5.752   9.770 -13.534
  583   HG12  ILE  72          1HG1      ILE  72  -4.456   7.966 -11.479
  584   HG13  ILE  72          2HG1      ILE  72  -3.517   8.721 -12.760
  585   HG21  ILE  72          1HG2      ILE  72  -7.811   8.507 -12.901
  586   HG22  ILE  72          2HG2      ILE  72  -6.877   7.634 -11.668
  587   HG23  ILE  72          3HG2      ILE  72  -7.101   9.389 -11.545
  588   HD11  ILE  72          3HD1      ILE  72  -3.375  10.042 -10.735
  589   HD12  ILE  72          1HD1      ILE  72  -4.249  10.960 -11.977
  590   HD13  ILE  72          2HD1      ILE  72  -5.137  10.186 -10.643
  591    H    ASN  73           H        ASN  73  -3.844   6.078 -15.116
  592    HA   ASN  73           HA       ASN  73  -2.155   5.966 -16.531
  593    HB2  ASN  73           1HB      ASN  73  -3.995   6.823 -18.053
  594    HB3  ASN  73           2HB      ASN  73  -3.257   8.420 -17.935
  595   HD21  ASN  73          2HD2      ASN  73  -2.551   8.634 -20.085
  596   HD22  ASN  73          1HD2      ASN  73  -1.392   7.539 -20.817
  597    H    GLU  74           H        GLU  74  -1.814   7.716 -14.121
  598    HA   GLU  74           HA       GLU  74   0.488   9.435 -14.897
  599    HB2  GLU  74           1HB      GLU  74  -0.943   8.979 -12.255
  600    HB3  GLU  74           2HB      GLU  74   0.478   9.997 -12.445
  601    HG2  GLU  74           1HG      GLU  74  -2.190  10.439 -13.833
  602    HG3  GLU  74           2HG      GLU  74  -1.575  11.331 -12.447
  603    H    VAL  75           H        VAL  75  -0.013   6.221 -14.151
  604    HA   VAL  75           HA       VAL  75   2.908   5.733 -13.987
  605    HB   VAL  75           HB       VAL  75   0.813   4.305 -12.272
  606   HG11  VAL  75          1HG1      VAL  75   2.458   2.647 -13.085
  607   HG12  VAL  75          2HG1      VAL  75   3.796   3.739 -12.617
  608   HG13  VAL  75          3HG1      VAL  75   2.758   2.989 -11.387
  609   HG21  VAL  75          3HG2      VAL  75   2.013   5.041 -10.333
  610   HG22  VAL  75          1HG2      VAL  75   3.345   5.660 -11.318
  611   HG23  VAL  75          2HG2      VAL  75   1.784   6.493 -11.322
  612    H    LYS  76           H        LYS  76   3.492   3.940 -15.291
  613    HA   LYS  76           HA       LYS  76   1.314   2.627 -16.878
  614    HB2  LYS  76           1HB      LYS  76   4.325   2.737 -17.352
  615    HB3  LYS  76           2HB      LYS  76   3.153   1.883 -18.334
  616    HG2  LYS  76           1HG      LYS  76   1.962   4.183 -18.649
  617    HG3  LYS  76           2HG      LYS  76   3.446   4.872 -17.983
  618    HD2  LYS  76           1HD      LYS  76   4.023   4.964 -20.176
  619    HD3  LYS  76           2HD      LYS  76   4.592   3.328 -19.881
  620    HE2  LYS  76           1HE      LYS  76   1.894   4.147 -21.076
  621    HE3  LYS  76           2HE      LYS  76   3.288   3.577 -21.992
  622    HZ1  LYS  76           3HZ      LYS  76   1.693   1.807 -21.650
  623    HZ2  LYS  76           1HZ      LYS  76   3.073   1.413 -20.878
  624    HZ3  LYS  76           2HZ      LYS  76   1.785   1.939 -20.027
  625    H    SER  77           H        SER  77   0.920   0.419 -16.646
  626    HA   SER  77           HA       SER  77   1.637  -0.774 -14.164
  627    HB2  SER  77           1HB      SER  77   0.573  -2.816 -15.079
  628    HB3  SER  77           2HB      SER  77  -0.421  -1.359 -15.227
  629    HG   SER  77           HG       SER  77  -0.409  -2.605 -17.178
  630    H    GLU  78           H        GLU  78   3.188  -1.074 -17.349
  631    HA   GLU  78           HA       GLU  78   4.817  -3.317 -16.873
  632    HB2  GLU  78           1HB      GLU  78   5.727  -0.866 -18.419
  633    HB3  GLU  78           2HB      GLU  78   6.259  -2.531 -18.600
  634    HG2  GLU  78           1HG      GLU  78   4.857  -2.497 -20.366
  635    HG3  GLU  78           2HG      GLU  78   3.649  -2.930 -19.159
  636    H    GLU  79           H        GLU  79   5.136  -0.146 -15.429
  637    HA   GLU  79           HA       GLU  79   7.935  -0.554 -14.582
  638    HB2  GLU  79           1HB      GLU  79   5.902   1.625 -13.954
  639    HB3  GLU  79           2HB      GLU  79   7.586   1.636 -13.473
  640    HG2  GLU  79           1HG      GLU  79   6.552   1.693 -16.345
  641    HG3  GLU  79           2HG      GLU  79   7.172   3.065 -15.438
  642    H    VAL  80           H        VAL  80   4.841  -1.425 -13.370
  643    HA   VAL  80           HA       VAL  80   5.343  -0.804 -10.573
  644    HB   VAL  80           HB       VAL  80   3.063  -2.375 -11.830
  645   HG11  VAL  80          1HG1      VAL  80   3.257  -2.957  -9.448
  646   HG12  VAL  80          2HG1      VAL  80   3.392  -1.237  -9.027
  647   HG13  VAL  80          3HG1      VAL  80   1.874  -1.886  -9.688
  648   HG21  VAL  80          3HG2      VAL  80   1.785  -0.276 -11.490
  649   HG22  VAL  80          1HG2      VAL  80   3.256   0.527 -10.898
  650   HG23  VAL  80          2HG2      VAL  80   3.147  -0.009 -12.582
  651    HA   PRO  81           HA       PRO  81   7.304  -4.826  -9.851
  652    HB2  PRO  81           1HB      PRO  81   7.901  -4.593  -7.202
  653    HB3  PRO  81           2HB      PRO  81   8.787  -3.708  -8.482
  654    HG2  PRO  81           1HG      PRO  81   6.538  -2.692  -6.727
  655    HG3  PRO  81           2HG      PRO  81   8.093  -1.895  -7.120
  656    HD2  PRO  81           1HD      PRO  81   5.751  -1.328  -8.440
  657    HD3  PRO  81           2HD      PRO  81   7.334  -1.273  -9.259
  658    H    ALA  82           H        ALA  82   6.142  -6.606  -9.785
  659    HA   ALA  82           HA       ALA  82   4.365  -7.369  -7.624
  660    HB1  ALA  82           1HB      ALA  82   2.870  -5.864  -8.928
  661    HB2  ALA  82           2HB      ALA  82   3.230  -6.775 -10.407
  662    HB3  ALA  82           3HB      ALA  82   2.336  -7.546  -9.081
  663    H    VAL  83           H        VAL  83   3.415  -9.609  -8.102
  664    HA   VAL  83           HA       VAL  83   5.279 -11.440  -8.992
  665    HB   VAL  83           HB       VAL  83   3.135 -11.590  -7.511
  666   HG11  VAL  83          1HG1      VAL  83   1.469 -11.143  -9.305
  667   HG12  VAL  83          2HG1      VAL  83   1.910 -12.689 -10.071
  668   HG13  VAL  83          3HG1      VAL  83   1.198 -12.669  -8.448
  669   HG21  VAL  83          3HG2      VAL  83   3.191 -14.002  -7.622
  670   HG22  VAL  83          1HG2      VAL  83   4.043 -13.935  -9.187
  671   HG23  VAL  83          2HG2      VAL  83   4.810 -13.285  -7.712
  672    H    GLY  84           H        GLY  84   3.128  -9.606 -10.970
  673    HA2  GLY  84           1HA      GLY  84   4.382 -10.454 -13.404
  674    HA3  GLY  84           2HA      GLY  84   2.736 -11.068 -13.325
  675    H    ILE  85           H        ILE  85   3.625  -9.168 -15.246
  676    HA   ILE  85           HA       ILE  85   2.631  -6.503 -14.452
  677    HB   ILE  85           HB       ILE  85   3.393  -7.530 -17.199
  678   HG12  ILE  85          1HG1      ILE  85   5.376  -7.644 -15.847
  679   HG13  ILE  85          2HG1      ILE  85   5.493  -6.248 -16.898
  680   HG21  ILE  85          1HG2      ILE  85   1.922  -5.594 -17.359
  681   HG22  ILE  85          2HG2      ILE  85   2.881  -4.707 -16.163
  682   HG23  ILE  85          3HG2      ILE  85   3.567  -5.107 -17.756
  683   HD11  ILE  85          3HD1      ILE  85   6.361  -5.701 -14.698
  684   HD12  ILE  85          1HD1      ILE  85   4.885  -4.763 -14.962
  685   HD13  ILE  85          2HD1      ILE  85   4.859  -6.199 -13.911
  686    H    VAL  86           H        VAL  86   0.564  -6.512 -13.935
  687    HA   VAL  86           HA       VAL  86  -1.493  -7.276 -15.945
  688    HB   VAL  86           HB       VAL  86  -1.611  -8.014 -12.986
  689   HG11  VAL  86          1HG1      VAL  86  -3.850  -7.498 -13.898
  690   HG12  VAL  86          2HG1      VAL  86  -3.569  -8.615 -15.252
  691   HG13  VAL  86          3HG1      VAL  86  -3.687  -9.225 -13.589
  692   HG21  VAL  86          3HG2      VAL  86  -1.605 -10.379 -13.756
  693   HG22  VAL  86          1HG2      VAL  86  -1.285  -9.832 -15.415
  694   HG23  VAL  86          2HG2      VAL  86  -0.088  -9.565 -14.125
  695    HA   PRO  87           HA       PRO  87  -2.604  -3.136 -14.655
  696    HB2  PRO  87           1HB      PRO  87  -4.880  -2.707 -16.116
  697    HB3  PRO  87           2HB      PRO  87  -3.254  -2.814 -16.854
  698    HG2  PRO  87           1HG      PRO  87  -5.327  -5.020 -16.588
  699    HG3  PRO  87           2HG      PRO  87  -4.433  -4.518 -18.061
  700    HD2  PRO  87           1HD      PRO  87  -3.612  -6.610 -16.529
  701    HD3  PRO  87           2HD      PRO  87  -2.429  -5.507 -17.291
  702    HA   PRO  88           HA       PRO  88  -5.490  -3.386 -11.309
  703    HB2  PRO  88           1HB      PRO  88  -6.741  -0.812 -12.262
  704    HB3  PRO  88           2HB      PRO  88  -6.145  -1.240 -10.629
  705    HG2  PRO  88           1HG      PRO  88  -4.685   0.344 -12.273
  706    HG3  PRO  88           2HG      PRO  88  -3.878  -0.933 -11.299
  707    HD2  PRO  88           1HD      PRO  88  -4.665  -1.007 -14.216
  708    HD3  PRO  88           2HD      PRO  88  -3.148  -1.538 -13.423
  709    HA   PRO  89           HA       PRO  89  -9.344  -4.932 -13.077
  710    HB2  PRO  89           1HB      PRO  89 -10.816  -5.428 -10.833
  711    HB3  PRO  89           2HB      PRO  89  -9.372  -6.391 -11.275
  712    HG2  PRO  89           1HG      PRO  89  -9.531  -4.058  -9.339
  713    HG3  PRO  89           2HG      PRO  89  -8.780  -5.665  -9.074
  714    HD2  PRO  89           1HD      PRO  89  -7.311  -3.493  -9.838
  715    HD3  PRO  89           2HD      PRO  89  -6.934  -5.133 -10.442
  716    H    SER  90           H        SER  90 -11.551  -4.331 -13.418
  717    HA   SER  90           HA       SER  90 -12.738  -1.950 -12.259
  718    HB2  SER  90           1HB      SER  90 -12.798  -0.615 -14.291
  719    HB3  SER  90           2HB      SER  90 -11.129  -0.896 -13.793
  720    HG   SER  90           HG       SER  90 -11.414  -1.191 -16.060
  721    H    GLY  91           H        GLY  91 -14.872  -1.446 -13.294
  722    HA2  GLY  91           1HA      GLY  91 -16.422  -2.810 -15.051
  723    HA3  GLY  91           2HA      GLY  91 -16.329  -3.959 -13.726
  724    HA   PRO  92           HA       PRO  92 -19.889  -1.055 -12.869
  725    HB2  PRO  92           1HB      PRO  92 -21.816  -2.918 -12.366
  726    HB3  PRO  92           2HB      PRO  92 -21.349  -2.440 -14.027
  727    HG2  PRO  92           1HG      PRO  92 -20.374  -4.837 -12.436
  728    HG3  PRO  92           2HG      PRO  92 -21.013  -4.810 -14.113
  729    HD2  PRO  92           1HD      PRO  92 -18.345  -4.773 -13.582
  730    HD3  PRO  92           2HD      PRO  92 -19.028  -3.845 -14.950
  731    H    SER  93           H        SER  93 -21.108  -0.769 -10.833
  732    HA   SER  93           HA       SER  93 -19.486  -0.958  -8.546
  733    HB2  SER  93           1HB      SER  93 -22.499  -0.575  -8.661
  734    HB3  SER  93           2HB      SER  93 -21.426  -0.080  -7.347
  735    HG   SER  93           HG       SER  93 -20.475   1.449  -8.739
  736    H    SER  94           H        SER  94 -19.222  -2.398  -6.902
  737    HA   SER  94           HA       SER  94 -20.210  -5.060  -7.173
  738    HB2  SER  94           1HB      SER  94 -18.752  -3.813  -4.819
  739    HB3  SER  94           2HB      SER  94 -18.830  -5.532  -5.240
  740    HG   SER  94           HG       SER  94 -16.859  -4.556  -5.941
  741    H    GLY  95           H        GLY  95 -21.835  -2.482  -5.738
  742    HA2  GLY  95           1HA      GLY  95 -23.943  -4.076  -4.604
  743    HA3  GLY  95           2HA      GLY  95 -22.921  -3.418  -3.323
  Start of MODEL    8
    1    H1   GLY  -3           1H       GLY  -3  15.577  -2.238   6.289
    2    H2   GLY  -3           2H       GLY  -3  14.474  -1.901   5.127
    3    H3   GLY  -3           3H       GLY  -3  16.031  -1.413   4.946
    4    HA2  GLY  -3           1HA      GLY  -3  15.852   0.098   6.807
    5    HA3  GLY  -3           2HA      GLY  -3  14.654   0.463   5.552
    6    H    SER  -2           H        SER  -2  13.715   1.571   7.596
    7    HA   SER  -2           HA       SER  -2  12.583  -0.020   9.706
    8    HB2  SER  -2           1HB      SER  -2  11.365   2.105  10.228
    9    HB3  SER  -2           2HB      SER  -2  13.121   2.277  10.080
   10    HG   SER  -2           HG       SER  -2  11.980   3.950   8.959
   11    H    SER  -1           H        SER  -1  11.346   0.780   6.529
   12    HA   SER  -1           HA       SER  -1   8.628  -0.254   7.136
   13    HB2  SER  -1           1HB      SER  -1   9.877   0.744   4.550
   14    HB3  SER  -1           2HB      SER  -1   8.188   0.256   4.758
   15    HG   SER  -1           HG       SER  -1   9.473   2.354   6.221
   16    H    GLY   0           H        GLY   0  11.442  -1.848   6.870
   17    HA2  GLY   0           1HA      GLY   0  11.829  -4.141   6.514
   18    HA3  GLY   0           2HA      GLY   0  10.278  -4.286   5.658
   19    H    SER   1           H        SER   1  10.741  -4.993   3.686
   20    HA   SER   1           HA       SER   1  12.782  -3.610   1.989
   21    HB2  SER   1           1HB      SER   1  13.450  -5.847   1.167
   22    HB3  SER   1           2HB      SER   1  13.769  -5.626   2.891
   23    HG   SER   1           HG       SER   1  12.801  -7.678   2.432
   24    H    SER   2           H        SER   2   9.611  -3.801   2.184
   25    HA   SER   2           HA       SER   2   8.669  -5.167  -0.094
   26    HB2  SER   2           1HB      SER   2   7.452  -2.790   1.355
   27    HB3  SER   2           2HB      SER   2   6.606  -3.891   0.253
   28    HG   SER   2           HG       SER   2   6.267  -4.494   2.380
   29    H    GLY   3           H        GLY   3   8.820  -4.782  -2.202
   30    HA2  GLY   3           1HA      GLY   3  10.122  -2.487  -3.255
   31    HA3  GLY   3           2HA      GLY   3   9.315  -3.760  -4.199
   32    H    ILE   4           H        ILE   4   6.646  -3.215  -3.039
   33    HA   ILE   4           HA       ILE   4   5.900  -1.083  -4.869
   34    HB   ILE   4           HB       ILE   4   4.560  -3.131  -4.541
   35   HG12  ILE   4          1HG1      ILE   4   2.347  -2.142  -4.533
   36   HG13  ILE   4          2HG1      ILE   4   2.965  -0.616  -3.899
   37   HG21  ILE   4          1HG2      ILE   4   4.754  -3.385  -2.081
   38   HG22  ILE   4          2HG2      ILE   4   3.753  -1.933  -1.854
   39   HG23  ILE   4          3HG2      ILE   4   3.068  -3.373  -2.614
   40   HD11  ILE   4          3HD1      ILE   4   2.496  -0.621  -6.361
   41   HD12  ILE   4          1HD1      ILE   4   4.176  -0.210  -5.992
   42   HD13  ILE   4          2HD1      ILE   4   3.763  -1.840  -6.579
   43    H    LYS   5           H        LYS   5   6.231  -1.208  -1.371
   44    HA   LYS   5           HA       LYS   5   5.149   1.421  -0.793
   45    HB2  LYS   5           1HB      LYS   5   5.598  -0.621   0.716
   46    HB3  LYS   5           2HB      LYS   5   7.275  -0.106   0.760
   47    HG2  LYS   5           1HG      LYS   5   4.853   1.519   1.684
   48    HG3  LYS   5           2HG      LYS   5   5.942   0.588   2.713
   49    HD2  LYS   5           1HD      LYS   5   7.834   2.096   1.711
   50    HD3  LYS   5           2HD      LYS   5   6.518   3.191   1.254
   51    HE2  LYS   5           1HE      LYS   5   6.971   2.073   4.052
   52    HE3  LYS   5           2HE      LYS   5   7.654   3.606   3.518
   53    HZ1  LYS   5           3HZ      LYS   5   5.475   3.680   4.779
   54    HZ2  LYS   5           1HZ      LYS   5   5.510   4.543   3.379
   55    HZ3  LYS   5           2HZ      LYS   5   4.743   3.097   3.448
   56    H    ASN   6           H        ASN   6   8.454   0.202  -1.455
   57    HA   ASN   6           HA       ASN   6   9.731   2.778  -1.485
   58    HB2  ASN   6           1HB      ASN   6  10.893   0.581  -1.208
   59    HB3  ASN   6           2HB      ASN   6  10.503   0.188  -2.883
   60   HD21  ASN   6          2HD2      ASN   6  12.266   0.493  -4.220
   61   HD22  ASN   6          1HD2      ASN   6  13.445   1.776  -4.019
   62    H    PHE   7           H        PHE   7   7.990   0.943  -4.018
   63    HA   PHE   7           HA       PHE   7   8.897   2.514  -6.235
   64    HB2  PHE   7           1HB      PHE   7   7.963   0.281  -6.511
   65    HB3  PHE   7           2HB      PHE   7   6.407   0.817  -5.880
   66    HD1  PHE   7           1HD      PHE   7   8.741   1.013  -8.757
   67    HD2  PHE   7           2HD      PHE   7   4.851   2.085  -7.243
   68    HE1  PHE   7           1HE      PHE   7   8.025   1.659 -11.042
   69    HE2  PHE   7           2HE      PHE   7   4.143   2.744  -9.522
   70    HZ   PHE   7           HZ       PHE   7   5.724   2.518 -11.435
   71    H    LEU   8           H        LEU   8   5.918   2.809  -4.193
   72    HA   LEU   8           HA       LEU   8   4.926   5.116  -5.565
   73    HB2  LEU   8           1HB      LEU   8   3.602   3.723  -3.991
   74    HB3  LEU   8           2HB      LEU   8   4.607   4.286  -2.645
   75    HG   LEU   8           HG       LEU   8   3.774   6.546  -2.850
   76   HD11  LEU   8          1HD1      LEU   8   3.513   6.797  -5.291
   77   HD12  LEU   8          2HD1      LEU   8   2.181   5.622  -5.286
   78   HD13  LEU   8          3HD1      LEU   8   2.015   7.196  -4.469
   79   HD21  LEU   8          3HD2      LEU   8   1.403   6.187  -2.314
   80   HD22  LEU   8          1HD2      LEU   8   1.459   4.574  -3.058
   81   HD23  LEU   8          2HD2      LEU   8   2.396   4.914  -1.589
   82    H    TYR   9           H        TYR   9   7.138   4.828  -2.762
   83    HA   TYR   9           HA       TYR   9   7.472   7.612  -2.330
   84    HB2  TYR   9           1HB      TYR   9   8.069   5.758  -0.769
   85    HB3  TYR   9           2HB      TYR   9   9.440   5.353  -1.791
   86    HD1  TYR   9           1HD      TYR   9   8.022   7.839   0.556
   87    HD2  TYR   9           2HD      TYR   9  11.454   6.753  -1.818
   88    HE1  TYR   9           1HE      TYR   9   9.386   9.539   1.758
   89    HE2  TYR   9           2HE      TYR   9  12.822   8.452  -0.623
   90    HH   TYR   9           HH       TYR   9  12.853  10.086   1.001
   91    H    ALA  10           H        ALA  10   9.390   5.380  -4.388
   92    HA   ALA  10           HA       ALA  10  11.241   7.349  -5.354
   93    HB1  ALA  10           1HB      ALA  10  11.655   4.916  -5.408
   94    HB2  ALA  10           2HB      ALA  10  10.326   4.703  -6.572
   95    HB3  ALA  10           3HB      ALA  10  11.776   5.619  -7.033
   96    H    TRP  11           H        TRP  11   8.102   6.205  -6.701
   97    HA   TRP  11           HA       TRP  11   8.115   7.738  -9.098
   98    HB2  TRP  11           1HB      TRP  11   6.555   5.920  -8.644
   99    HB3  TRP  11           2HB      TRP  11   5.853   6.790  -7.299
  100    HD1  TRP  11           HD       TRP  11   5.795   6.669 -11.102
  101    HE1  TRP  11           1HE      TRP  11   3.755   7.972 -11.951
  102    HE3  TRP  11           3HE      TRP  11   4.293   8.788  -6.698
  103    HZ2  TRP  11           2HZ      TRP  11   1.963  10.007 -10.910
  104    HZ3  TRP  11           3HZ      TRP  11   2.388  10.368  -6.642
  105    HH2  TRP  11           HH       TRP  11   1.214  10.986  -8.742
  106    H    CYS  12           H        CYS  12   6.826   8.552  -5.862
  107    HA   CYS  12           HA       CYS  12   6.075  11.265  -6.384
  108    HB2  CYS  12           1HB      CYS  12   7.121   9.902  -3.866
  109    HB3  CYS  12           2HB      CYS  12   6.475  11.544  -3.905
  110    HG   CYS  12           HG       CYS  12   4.989   8.683  -4.568
  111    H    GLY  13           H        GLY  13   9.256   9.955  -5.342
  112    HA2  GLY  13           1HA      GLY  13  10.612  12.449  -5.147
  113    HA3  GLY  13           2HA      GLY  13  11.372  10.856  -5.357
  114    H    LYS  14           H        LYS  14   9.964  10.467  -8.013
  115    HA   LYS  14           HA       LYS  14  11.790  12.007  -9.745
  116    HB2  LYS  14           1HB      LYS  14   9.647   9.905 -10.259
  117    HB3  LYS  14           2HB      LYS  14  10.539  10.678 -11.554
  118    HG2  LYS  14           1HG      LYS  14  11.785   9.016  -9.322
  119    HG3  LYS  14           2HG      LYS  14  11.430   8.447 -10.944
  120    HD2  LYS  14           1HD      LYS  14  13.459  10.601 -10.200
  121    HD3  LYS  14           2HD      LYS  14  13.800   8.935 -10.664
  122    HE2  LYS  14           1HE      LYS  14  12.758   9.346 -12.900
  123    HE3  LYS  14           2HE      LYS  14  12.491  11.036 -12.452
  124    HZ1  LYS  14           3HZ      LYS  14  14.530  10.774 -13.728
  125    HZ2  LYS  14           1HZ      LYS  14  14.903  11.286 -12.222
  126    HZ3  LYS  14           2HZ      LYS  14  15.147   9.723 -12.641
  127    H    ARG  15           H        ARG  15   8.842  12.681  -8.350
  128    HA   ARG  15           HA       ARG  15   8.111  14.740 -10.393
  129    HB2  ARG  15           1HB      ARG  15   6.375  13.200  -8.420
  130    HB3  ARG  15           2HB      ARG  15   5.811  14.498  -9.485
  131    HG2  ARG  15           1HG      ARG  15   6.516  13.130 -11.465
  132    HG3  ARG  15           2HG      ARG  15   6.920  11.798 -10.389
  133    HD2  ARG  15           1HD      ARG  15   4.645  11.570  -9.661
  134    HD3  ARG  15           2HD      ARG  15   4.185  13.109 -10.398
  135    HE   ARG  15           HE       ARG  15   5.076  10.745 -12.012
  136   HH11  ARG  15          1HH1      ARG  15   2.677  13.368 -11.577
  137   HH12  ARG  15          2HH1      ARG  15   1.762  12.772 -12.960
  138   HH21  ARG  15          1HH2      ARG  15   3.699  10.146 -13.762
  139   HH22  ARG  15          2HH2      ARG  15   2.315  11.177 -14.090
  140    H    LYS  16           H        LYS  16   9.812  14.634  -7.663
  141    HA   LYS  16           HA       LYS  16  10.343  15.999  -5.947
  142    HB2  LYS  16           1HB      LYS  16   8.867  18.166  -7.502
  143    HB3  LYS  16           2HB      LYS  16  10.016  18.410  -6.188
  144    HG2  LYS  16           1HG      LYS  16  11.802  17.313  -7.530
  145    HG3  LYS  16           2HG      LYS  16  10.667  17.146  -8.884
  146    HD2  LYS  16           1HD      LYS  16  10.380  19.608  -8.957
  147    HD3  LYS  16           2HD      LYS  16  11.524  19.779  -7.606
  148    HE2  LYS  16           1HE      LYS  16  13.294  18.686  -8.972
  149    HE3  LYS  16           2HE      LYS  16  12.158  18.521 -10.318
  150    HZ1  LYS  16           3HZ      LYS  16  13.562  20.478 -10.580
  151    HZ2  LYS  16           1HZ      LYS  16  12.008  20.950 -10.401
  152    HZ3  LYS  16           2HZ      LYS  16  13.060  21.101  -9.156
  153    H    MET  17           H        MET  17   7.945  14.421  -5.695
  154    HA   MET  17           HA       MET  17   6.377  15.916  -3.618
  155    HB2  MET  17           1HB      MET  17   5.623  13.497  -5.320
  156    HB3  MET  17           2HB      MET  17   4.613  14.207  -4.061
  157    HG2  MET  17           1HG      MET  17   4.702  16.392  -5.357
  158    HG3  MET  17           2HG      MET  17   5.434  15.491  -6.681
  159    HE1  MET  17           3HE      MET  17   2.531  12.949  -7.600
  160    HE2  MET  17           1HE      MET  17   4.209  13.422  -7.901
  161    HE3  MET  17           2HE      MET  17   3.760  12.638  -6.369
  162    H    THR  18           H        THR  18   5.462  14.357  -1.969
  163    HA   THR  18           HA       THR  18   7.127  11.998  -1.301
  164    HB   THR  18           HB       THR  18   6.487  14.153   0.756
  165    HG1  THR  18           1HG      THR  18   8.879  13.540  -0.651
  166   HG21  THR  18          3HG2      THR  18   8.102  12.898   2.157
  167   HG22  THR  18          1HG2      THR  18   6.709  11.897   1.732
  168   HG23  THR  18          2HG2      THR  18   8.258  11.666   0.885
  169    HA   PRO  19           HA       PRO  19   2.828  10.804  -0.568
  170    HB2  PRO  19           1HB      PRO  19   3.123   8.187   0.094
  171    HB3  PRO  19           2HB      PRO  19   3.438   8.783  -1.565
  172    HG2  PRO  19           1HG      PRO  19   5.455   8.273   0.645
  173    HG3  PRO  19           2HG      PRO  19   5.526   7.736  -1.063
  174    HD2  PRO  19           1HD      PRO  19   6.798   9.985  -0.112
  175    HD3  PRO  19           2HD      PRO  19   6.171   9.875  -1.778
  176    H    ALA  20           H        ALA  20   1.448  10.633   1.182
  177    HA   ALA  20           HA       ALA  20   2.682  10.701   3.917
  178    HB1  ALA  20           1HB      ALA  20   1.733  12.853   3.231
  179    HB2  ALA  20           2HB      ALA  20   0.174  12.069   2.869
  180    HB3  ALA  20           3HB      ALA  20   0.784  12.113   4.540
  181    H    TYR  21           H        TYR  21   2.379   8.914   4.956
  182    HA   TYR  21           HA       TYR  21   0.057   7.132   4.440
  183    HB2  TYR  21           1HB      TYR  21   2.729   6.684   5.817
  184    HB3  TYR  21           2HB      TYR  21   1.437   5.505   5.798
  185    HD1  TYR  21           1HD      TYR  21   3.842   7.330   3.588
  186    HD2  TYR  21           2HD      TYR  21   1.097   4.030   3.965
  187    HE1  TYR  21           1HE      TYR  21   4.761   6.322   1.510
  188    HE2  TYR  21           2HE      TYR  21   2.022   3.016   1.892
  189    HH   TYR  21           HH       TYR  21   4.682   4.566   0.037
  190    H    GLU  22           H        GLU  22  -1.158   6.238   6.154
  191    HA   GLU  22           HA       GLU  22  -0.792   7.190   8.930
  192    HB2  GLU  22           1HB      GLU  22  -2.288   8.836   7.868
  193    HB3  GLU  22           2HB      GLU  22  -3.385   7.539   7.367
  194    HG2  GLU  22           1HG      GLU  22  -3.972   7.056   9.667
  195    HG3  GLU  22           2HG      GLU  22  -2.656   8.075  10.274
  196    H    ILE  23           H        ILE  23  -1.730   5.762  10.479
  197    HA   ILE  23           HA       ILE  23  -2.528   3.063   9.467
  198    HB   ILE  23           HB       ILE  23  -0.266   3.740  11.388
  199   HG12  ILE  23          1HG1      ILE  23  -0.318   2.378   8.658
  200   HG13  ILE  23          2HG1      ILE  23   0.339   3.976   9.019
  201   HG21  ILE  23          1HG2      ILE  23  -1.459   1.754  12.253
  202   HG22  ILE  23          2HG2      ILE  23  -1.326   0.972  10.657
  203   HG23  ILE  23          3HG2      ILE  23   0.112   1.320  11.640
  204   HD11  ILE  23          3HD1      ILE  23   2.200   2.573   8.812
  205   HD12  ILE  23          1HD1      ILE  23   2.019   2.833  10.556
  206   HD13  ILE  23          2HD1      ILE  23   1.485   1.299   9.809
  207    H    ARG  24           H        ARG  24  -3.721   1.803  10.828
  208    HA   ARG  24           HA       ARG  24  -4.855   2.928  13.346
  209    HB2  ARG  24           1HB      ARG  24  -6.252   3.685  11.450
  210    HB3  ARG  24           2HB      ARG  24  -6.364   2.025  10.880
  211    HG2  ARG  24           1HG      ARG  24  -7.742   1.360  12.724
  212    HG3  ARG  24           2HG      ARG  24  -7.454   2.887  13.574
  213    HD2  ARG  24           1HD      ARG  24  -9.697   2.752  12.487
  214    HD3  ARG  24           2HD      ARG  24  -8.740   4.130  11.971
  215    HE   ARG  24           HE       ARG  24  -9.304   1.656  10.379
  216   HH11  ARG  24          1HH1      ARG  24  -8.225   5.071  10.309
  217   HH12  ARG  24          2HH1      ARG  24  -8.229   5.052   8.547
  218   HH21  ARG  24          1HH2      ARG  24  -9.242   1.864   8.097
  219   HH22  ARG  24          2HH2      ARG  24  -8.757   3.419   7.424
  220    H    ALA  25           H        ALA  25  -5.495   1.339  14.778
  221    HA   ALA  25           HA       ALA  25  -4.687  -1.469  14.164
  222    HB1  ALA  25           1HB      ALA  25  -3.662  -0.377  16.129
  223    HB2  ALA  25           2HB      ALA  25  -5.275  -0.104  16.826
  224    HB3  ALA  25           3HB      ALA  25  -4.673  -1.759  16.600
  225    H    VAL  26           H        VAL  26  -6.100  -3.166  14.204
  226    HA   VAL  26           HA       VAL  26  -8.941  -2.804  14.992
  227    HB   VAL  26           HB       VAL  26  -9.733  -3.717  12.830
  228   HG11  VAL  26          1HG1      VAL  26  -9.775  -1.265  13.287
  229   HG12  VAL  26          2HG1      VAL  26  -8.240  -1.107  12.397
  230   HG13  VAL  26          3HG1      VAL  26  -9.699  -1.679  11.573
  231   HG21  VAL  26          3HG2      VAL  26  -8.323  -3.684  10.825
  232   HG22  VAL  26          1HG2      VAL  26  -6.913  -3.189  11.780
  233   HG23  VAL  26          2HG2      VAL  26  -7.652  -4.788  12.022
  234    H    GLY  27           H        GLY  27 -10.174  -4.900  14.758
  235    HA2  GLY  27           1HA      GLY  27 -10.391  -7.218  14.846
  236    HA3  GLY  27           2HA      GLY  27  -8.637  -7.403  14.674
  237    H    ASN  28           H        ASN  28  -9.725  -9.114  16.266
  238    HA   ASN  28           HA       ASN  28 -10.117  -8.359  19.005
  239    HB2  ASN  28           1HB      ASN  28 -11.047 -10.385  17.893
  240    HB3  ASN  28           2HB      ASN  28  -9.424 -11.068  17.789
  241   HD21  ASN  28          2HD2      ASN  28 -12.227 -10.723  19.796
  242   HD22  ASN  28          1HD2      ASN  28 -11.523 -11.431  21.239
  243    H    LYS  29           H        LYS  29  -8.756  -8.379  20.770
  244    HA   LYS  29           HA       LYS  29  -6.039  -7.740  20.442
  245    HB2  LYS  29           1HB      LYS  29  -5.939  -7.736  22.863
  246    HB3  LYS  29           2HB      LYS  29  -7.439  -7.004  22.298
  247    HG2  LYS  29           1HG      LYS  29  -8.655  -9.139  22.821
  248    HG3  LYS  29           2HG      LYS  29  -7.138  -9.831  23.424
  249    HD2  LYS  29           1HD      LYS  29  -7.013  -8.050  25.157
  250    HD3  LYS  29           2HD      LYS  29  -8.483  -7.318  24.507
  251    HE2  LYS  29           1HE      LYS  29  -9.134  -8.550  26.438
  252    HE3  LYS  29           2HE      LYS  29  -9.747  -9.418  25.030
  253    HZ1  LYS  29           3HZ      LYS  29  -8.722 -10.908  26.656
  254    HZ2  LYS  29           1HZ      LYS  29  -7.876 -10.967  25.263
  255    HZ3  LYS  29           2HZ      LYS  29  -7.290 -10.134  26.546
  256    H    ASN  30           H        ASN  30  -7.355 -10.979  20.735
  257    HA   ASN  30           HA       ASN  30  -4.892 -12.260  21.549
  258    HB2  ASN  30           1HB      ASN  30  -7.195 -13.174  21.884
  259    HB3  ASN  30           2HB      ASN  30  -7.335 -13.402  20.142
  260   HD21  ASN  30          2HD2      ASN  30  -7.104 -15.580  19.676
  261   HD22  ASN  30          1HD2      ASN  30  -5.928 -16.633  20.444
  262    H    ARG  31           H        ARG  31  -6.042 -11.104  18.467
  263    HA   ARG  31           HA       ARG  31  -3.487 -11.706  17.237
  264    HB2  ARG  31           1HB      ARG  31  -4.817 -13.802  16.828
  265    HB3  ARG  31           2HB      ARG  31  -5.991 -12.859  15.934
  266    HG2  ARG  31           1HG      ARG  31  -4.399 -14.059  14.470
  267    HG3  ARG  31           2HG      ARG  31  -4.335 -12.320  14.216
  268    HD2  ARG  31           1HD      ARG  31  -2.101 -13.365  14.179
  269    HD3  ARG  31           2HD      ARG  31  -2.249 -12.142  15.444
  270    HE   ARG  31           HE       ARG  31  -2.853 -14.825  16.397
  271   HH11  ARG  31          1HH1      ARG  31  -0.107 -12.693  15.728
  272   HH12  ARG  31          2HH1      ARG  31   0.902 -13.483  16.901
  273   HH21  ARG  31          1HH2      ARG  31  -1.504 -15.782  17.901
  274   HH22  ARG  31          2HH2      ARG  31   0.127 -15.218  18.098
  275    H    GLN  32           H        GLN  32  -3.625  -9.424  17.654
  276    HA   GLN  32           HA       GLN  32  -5.547  -7.693  16.441
  277    HB2  GLN  32           1HB      GLN  32  -4.202  -7.216  18.484
  278    HB3  GLN  32           2HB      GLN  32  -2.749  -7.067  17.487
  279    HG2  GLN  32           1HG      GLN  32  -3.733  -5.127  16.313
  280    HG3  GLN  32           2HG      GLN  32  -5.237  -5.309  17.223
  281   HE21  GLN  32          2HE2      GLN  32  -2.501  -3.434  17.083
  282   HE22  GLN  32          1HE2      GLN  32  -2.403  -2.992  18.782
  283    H    LYS  33           H        LYS  33  -5.311  -6.177  14.783
  284    HA   LYS  33           HA       LYS  33  -3.398  -6.784  12.572
  285    HB2  LYS  33           1HB      LYS  33  -6.448  -6.666  12.529
  286    HB3  LYS  33           2HB      LYS  33  -5.452  -6.625  11.075
  287    HG2  LYS  33           1HG      LYS  33  -4.523  -8.860  11.638
  288    HG3  LYS  33           2HG      LYS  33  -5.471  -8.875  13.132
  289    HD2  LYS  33           1HD      LYS  33  -7.574  -8.694  11.714
  290    HD3  LYS  33           2HD      LYS  33  -6.541  -8.908  10.294
  291    HE2  LYS  33           1HE      LYS  33  -7.408 -11.073  10.828
  292    HE3  LYS  33           2HE      LYS  33  -5.706 -11.078  11.299
  293    HZ1  LYS  33           3HZ      LYS  33  -7.101 -12.061  13.016
  294    HZ2  LYS  33           1HZ      LYS  33  -6.449 -10.683  13.621
  295    HZ3  LYS  33           2HZ      LYS  33  -8.015 -10.717  13.139
  296    H    PHE  34           H        PHE  34  -3.529  -5.106  10.845
  297    HA   PHE  34           HA       PHE  34  -4.098  -2.384  11.917
  298    HB2  PHE  34           1HB      PHE  34  -1.504  -3.332  10.646
  299    HB3  PHE  34           2HB      PHE  34  -1.902  -1.657  11.004
  300    HD1  PHE  34           2HD      PHE  34  -2.191  -0.891  13.385
  301    HD2  PHE  34           1HD      PHE  34  -0.740  -4.829  12.400
  302    HE1  PHE  34           2HE      PHE  34  -1.312  -1.149  15.696
  303    HE2  PHE  34           1HE      PHE  34   0.148  -5.080  14.703
  304    HZ   PHE  34           HZ       PHE  34  -0.125  -3.238  16.352
  305    H    MET  35           H        MET  35  -4.873  -0.984  10.556
  306    HA   MET  35           HA       MET  35  -5.107  -1.581   7.633
  307    HB2  MET  35           1HB      MET  35  -6.573   0.551   9.237
  308    HB3  MET  35           2HB      MET  35  -6.818   0.114   7.547
  309    HG2  MET  35           1HG      MET  35  -7.495  -2.201   8.369
  310    HG3  MET  35           2HG      MET  35  -7.493  -1.516  10.007
  311    HE1  MET  35           3HE      MET  35 -11.274  -2.042   8.499
  312    HE2  MET  35           1HE      MET  35  -9.847  -2.846   7.817
  313    HE3  MET  35           2HE      MET  35 -10.074  -2.775   9.579
  314    H    CYS  36           H        CYS  36  -4.508   0.102   6.191
  315    HA   CYS  36           HA       CYS  36  -3.093   2.444   7.278
  316    HB2  CYS  36           1HB      CYS  36  -1.369   0.672   7.018
  317    HB3  CYS  36           2HB      CYS  36  -1.821   0.507   5.306
  318    HG   CYS  36           HG       CYS  36  -0.967   3.362   6.787
  319    H    GLU  37           H        GLU  37  -2.998   4.166   5.930
  320    HA   GLU  37           HA       GLU  37  -4.455   4.089   3.339
  321    HB2  GLU  37           1HB      GLU  37  -4.849   6.051   5.635
  322    HB3  GLU  37           2HB      GLU  37  -5.429   6.318   3.983
  323    HG2  GLU  37           1HG      GLU  37  -6.883   4.363   4.113
  324    HG3  GLU  37           2HG      GLU  37  -6.243   3.935   5.702
  325    H    VAL  38           H        VAL  38  -3.603   5.519   1.803
  326    HA   VAL  38           HA       VAL  38  -1.368   7.292   2.597
  327    HB   VAL  38           HB       VAL  38  -0.369   5.124   1.964
  328   HG11  VAL  38          1HG1      VAL  38  -2.003   4.439   0.204
  329   HG12  VAL  38          2HG1      VAL  38  -1.335   5.701  -0.857
  330   HG13  VAL  38          3HG1      VAL  38  -0.315   4.355  -0.326
  331   HG21  VAL  38          3HG2      VAL  38   1.348   6.041   0.466
  332   HG22  VAL  38          1HG2      VAL  38   0.301   7.392   0.029
  333   HG23  VAL  38          2HG2      VAL  38   0.902   7.237   1.694
  334    H    ARG  39           H        ARG  39  -1.084   9.076   1.449
  335    HA   ARG  39           HA       ARG  39  -2.913   9.709  -0.820
  336    HB2  ARG  39           1HB      ARG  39  -2.508  11.573   1.554
  337    HB3  ARG  39           2HB      ARG  39  -3.630  11.733   0.216
  338    HG2  ARG  39           1HG      ARG  39  -5.095  11.063   1.816
  339    HG3  ARG  39           2HG      ARG  39  -4.661   9.473   1.188
  340    HD2  ARG  39           1HD      ARG  39  -2.998   9.240   3.070
  341    HD3  ARG  39           2HD      ARG  39  -3.439  10.859   3.614
  342    HE   ARG  39           HE       ARG  39  -5.618   8.855   3.439
  343   HH11  ARG  39          1HH1      ARG  39  -3.404  10.626   5.605
  344   HH12  ARG  39          2HH1      ARG  39  -4.330  10.101   7.011
  345   HH21  ARG  39          1HH2      ARG  39  -6.649   8.213   5.450
  346   HH22  ARG  39          2HH2      ARG  39  -5.964   8.893   6.920
  347    H    VAL  40           H        VAL  40  -2.281  11.648  -1.976
  348    HA   VAL  40           HA       VAL  40   0.488  12.664  -1.617
  349    HB   VAL  40           HB       VAL  40  -0.551  11.593  -4.278
  350   HG11  VAL  40          1HG1      VAL  40   0.898  13.556  -4.608
  351   HG12  VAL  40          2HG1      VAL  40   2.137  12.851  -3.546
  352   HG13  VAL  40          3HG1      VAL  40   1.743  12.094  -5.104
  353   HG21  VAL  40          3HG2      VAL  40   1.330   9.961  -4.138
  354   HG22  VAL  40          1HG2      VAL  40   1.701  10.535  -2.504
  355   HG23  VAL  40          2HG2      VAL  40   0.164   9.710  -2.837
  356    H    GLU  41           H        GLU  41   0.642  14.813  -2.067
  357    HA   GLU  41           HA       GLU  41  -1.704  16.392  -2.128
  358    HB2  GLU  41           1HB      GLU  41   0.483  17.051  -1.161
  359    HB3  GLU  41           2HB      GLU  41   1.156  17.212  -2.790
  360    HG2  GLU  41           1HG      GLU  41  -0.475  19.006  -3.295
  361    HG3  GLU  41           2HG      GLU  41  -1.231  18.785  -1.714
  362    H    GLY  42           H        GLY  42  -2.935  17.214  -3.704
  363    HA2  GLY  42           1HA      GLY  42  -3.483  18.105  -5.813
  364    HA3  GLY  42           2HA      GLY  42  -2.005  17.411  -6.519
  365    H    PHE  43           H        PHE  43  -3.410  14.946  -4.767
  366    HA   PHE  43           HA       PHE  43  -5.083  13.978  -7.056
  367    HB2  PHE  43           1HB      PHE  43  -3.349  12.401  -5.117
  368    HB3  PHE  43           2HB      PHE  43  -4.418  11.710  -6.325
  369    HD1  PHE  43           1HD      PHE  43  -1.281  13.625  -5.806
  370    HD2  PHE  43           2HD      PHE  43  -3.839  11.734  -8.715
  371    HE1  PHE  43           1HE      PHE  43   0.478  13.889  -7.523
  372    HE2  PHE  43           2HE      PHE  43  -2.059  11.973 -10.426
  373    HZ   PHE  43           HZ       PHE  43   0.098  13.058  -9.842
  374    H    ASN  44           H        ASN  44  -7.122  13.401  -6.645
  375    HA   ASN  44           HA       ASN  44  -8.243  14.195  -4.077
  376    HB2  ASN  44           1HB      ASN  44  -9.539  13.154  -6.625
  377    HB3  ASN  44           2HB      ASN  44 -10.414  13.816  -5.247
  378   HD21  ASN  44          2HD2      ASN  44  -9.718  14.707  -8.244
  379   HD22  ASN  44          1HD2      ASN  44  -9.389  16.414  -8.005
  380    H    TYR  45           H        TYR  45  -7.194  11.163  -5.248
  381    HA   TYR  45           HA       TYR  45  -9.089   9.559  -3.648
  382    HB2  TYR  45           1HB      TYR  45  -8.416   8.889  -5.938
  383    HB3  TYR  45           2HB      TYR  45  -6.744   8.751  -5.393
  384    HD1  TYR  45           2HD      TYR  45 -10.191   7.491  -4.522
  385    HD2  TYR  45           1HD      TYR  45  -5.978   6.611  -4.773
  386    HE1  TYR  45           2HE      TYR  45 -10.636   5.154  -3.796
  387    HE2  TYR  45           1HE      TYR  45  -6.424   4.261  -4.091
  388    HH   TYR  45           HH       TYR  45  -8.014   2.759  -3.297
  389    H    ALA  46           H        ALA  46  -8.419   8.044  -2.076
  390    HA   ALA  46           HA       ALA  46  -5.709   8.333  -0.871
  391    HB1  ALA  46           1HB      ALA  46  -7.259   9.588   0.570
  392    HB2  ALA  46           2HB      ALA  46  -8.364   8.198   0.636
  393    HB3  ALA  46           3HB      ALA  46  -6.754   8.083   1.372
  394    H    GLY  47           H        GLY  47  -4.744   6.455  -1.225
  395    HA2  GLY  47           1HA      GLY  47  -6.266   4.000  -1.804
  396    HA3  GLY  47           2HA      GLY  47  -4.504   4.190  -1.906
  397    H    MET  48           H        MET  48  -6.114   2.066  -0.662
  398    HA   MET  48           HA       MET  48  -5.095   2.213   2.120
  399    HB2  MET  48           1HB      MET  48  -7.313   1.722   3.006
  400    HB3  MET  48           2HB      MET  48  -7.271   3.264   2.152
  401    HG2  MET  48           1HG      MET  48  -8.303   2.151   0.153
  402    HG3  MET  48           2HG      MET  48  -8.385   0.648   1.065
  403    HE1  MET  48           3HE      MET  48 -10.956   4.435   1.735
  404    HE2  MET  48           1HE      MET  48  -9.217   4.464   2.081
  405    HE3  MET  48           2HE      MET  48  -9.787   4.176   0.424
  406    H    GLY  49           H        GLY  49  -4.917   0.382   3.261
  407    HA2  GLY  49           1HA      GLY  49  -5.515  -2.275   2.098
  408    HA3  GLY  49           2HA      GLY  49  -3.820  -1.870   2.335
  409    H    ASN  50           H        ASN  50  -4.601  -4.004   3.654
  410    HA   ASN  50           HA       ASN  50  -4.139  -3.194   6.400
  411    HB2  ASN  50           1HB      ASN  50  -6.012  -4.336   7.417
  412    HB3  ASN  50           2HB      ASN  50  -6.629  -3.150   6.280
  413   HD21  ASN  50          2HD2      ASN  50  -7.871  -3.887   4.477
  414   HD22  ASN  50          1HD2      ASN  50  -8.277  -5.581   4.269
  415    H    SER  51           H        SER  51  -3.603  -5.024   7.833
  416    HA   SER  51           HA       SER  51  -3.191  -7.691   6.839
  417    HB2  SER  51           1HB      SER  51  -1.344  -6.348   5.632
  418    HB3  SER  51           2HB      SER  51  -0.598  -6.162   7.221
  419    HG   SER  51           HG       SER  51  -0.270  -8.126   5.619
  420    H    THR  52           H        THR  52  -1.312  -8.714   8.441
  421    HA   THR  52           HA       THR  52  -2.283  -8.413  11.203
  422    HB   THR  52           HB       THR  52  -0.574 -10.168  11.670
  423    HG1  THR  52           1HG      THR  52   0.477 -11.054   9.823
  424   HG21  THR  52          3HG2      THR  52  -1.663 -11.976  10.453
  425   HG22  THR  52          1HG2      THR  52  -2.879 -10.794  10.963
  426   HG23  THR  52          2HG2      THR  52  -2.340 -10.837   9.269
  427    H    ASN  53           H        ASN  53   0.020  -6.792   9.344
  428    HA   ASN  53           HA       ASN  53   1.439  -5.707  11.696
  429    HB2  ASN  53           1HB      ASN  53   3.611  -6.308  10.814
  430    HB3  ASN  53           2HB      ASN  53   2.648  -7.769  11.010
  431   HD21  ASN  53          2HD2      ASN  53   1.796  -8.834   9.036
  432   HD22  ASN  53          1HD2      ASN  53   2.538  -8.470   7.488
  433    H    LYS  54           H        LYS  54   2.581  -3.787  11.320
  434    HA   LYS  54           HA       LYS  54   1.201  -1.962   9.626
  435    HB2  LYS  54           1HB      LYS  54   3.782  -1.716  11.232
  436    HB3  LYS  54           2HB      LYS  54   2.956  -0.359  10.467
  437    HG2  LYS  54           1HG      LYS  54   0.895  -0.889  11.810
  438    HG3  LYS  54           2HG      LYS  54   1.798  -2.165  12.643
  439    HD2  LYS  54           1HD      LYS  54   3.441  -0.489  13.449
  440    HD3  LYS  54           2HD      LYS  54   2.529   0.798  12.630
  441    HE2  LYS  54           1HE      LYS  54   0.531   0.258  14.006
  442    HE3  LYS  54           2HE      LYS  54   1.424  -1.041  14.806
  443    HZ1  LYS  54           3HZ      LYS  54   1.430   0.984  16.139
  444    HZ2  LYS  54           1HZ      LYS  54   2.957   0.637  15.680
  445    HZ3  LYS  54           2HZ      LYS  54   2.134   1.842  14.941
  446    H    LYS  55           H        LYS  55   4.207  -3.702   9.003
  447    HA   LYS  55           HA       LYS  55   5.128  -1.999   6.826
  448    HB2  LYS  55           1HB      LYS  55   5.780  -4.863   7.647
  449    HB3  LYS  55           2HB      LYS  55   6.570  -4.008   6.321
  450    HG2  LYS  55           1HG      LYS  55   7.406  -2.288   7.854
  451    HG3  LYS  55           2HG      LYS  55   6.562  -3.046   9.217
  452    HD2  LYS  55           1HD      LYS  55   7.933  -5.058   9.032
  453    HD3  LYS  55           2HD      LYS  55   8.658  -4.477   7.533
  454    HE2  LYS  55           1HE      LYS  55  10.243  -4.196   9.338
  455    HE3  LYS  55           2HE      LYS  55   9.750  -2.620   8.719
  456    HZ1  LYS  55           3HZ      LYS  55   9.803  -2.669  11.138
  457    HZ2  LYS  55           1HZ      LYS  55   8.284  -2.381  10.630
  458    HZ3  LYS  55           2HZ      LYS  55   8.693  -3.867  11.197
  459    H    ASP  56           H        ASP  56   3.462  -5.196   6.814
  460    HA   ASP  56           HA       ASP  56   3.083  -5.164   3.957
  461    HB2  ASP  56           1HB      ASP  56   3.216  -7.182   5.428
  462    HB3  ASP  56           2HB      ASP  56   1.620  -6.787   6.052
  463    H    ALA  57           H        ALA  57   1.066  -4.012   6.666
  464    HA   ALA  57           HA       ALA  57  -1.283  -3.418   5.128
  465    HB1  ALA  57           1HB      ALA  57  -1.212  -3.433   7.610
  466    HB2  ALA  57           2HB      ALA  57  -0.177  -1.985   7.591
  467    HB3  ALA  57           3HB      ALA  57  -1.843  -1.901   6.982
  468    H    GLN  58           H        GLN  58   1.602  -1.354   5.816
  469    HA   GLN  58           HA       GLN  58   0.818   0.863   4.148
  470    HB2  GLN  58           1HB      GLN  58   3.505  -0.218   5.087
  471    HB3  GLN  58           2HB      GLN  58   3.380   1.179   4.025
  472    HG2  GLN  58           1HG      GLN  58   2.168   2.458   5.664
  473    HG3  GLN  58           2HG      GLN  58   1.994   1.059   6.731
  474   HE21  GLN  58          2HE2      GLN  58   3.912   0.275   7.845
  475   HE22  GLN  58          1HE2      GLN  58   5.319   1.334   8.032
  476    H    SER  59           H        SER  59   2.590  -2.156   3.383
  477    HA   SER  59           HA       SER  59   3.200  -1.448   0.664
  478    HB2  SER  59           1HB      SER  59   2.756  -4.218   1.844
  479    HB3  SER  59           2HB      SER  59   3.595  -3.829   0.336
  480    HG   SER  59           HG       SER  59   4.397  -3.048   2.978
  481    H    ASN  60           H        ASN  60   0.334  -3.006   2.111
  482    HA   ASN  60           HA       ASN  60  -0.983  -3.446  -0.441
  483    HB2  ASN  60           1HB      ASN  60  -1.993  -3.484   2.427
  484    HB3  ASN  60           2HB      ASN  60  -2.978  -3.917   1.028
  485   HD21  ASN  60          2HD2      ASN  60  -2.319  -5.725   3.255
  486   HD22  ASN  60          1HD2      ASN  60  -1.290  -6.976   2.598
  487    H    ALA  61           H        ALA  61  -1.079  -0.788   1.971
  488    HA   ALA  61           HA       ALA  61  -3.092   0.775   0.630
  489    HB1  ALA  61           1HB      ALA  61  -2.310   1.121   2.984
  490    HB2  ALA  61           2HB      ALA  61  -0.751   1.703   2.357
  491    HB3  ALA  61           3HB      ALA  61  -2.239   2.605   2.013
  492    H    ALA  62           H        ALA  62   0.487   0.762   0.312
  493    HA   ALA  62           HA       ALA  62   0.655   2.739  -1.733
  494    HB1  ALA  62           1HB      ALA  62   2.544   1.907  -0.356
  495    HB2  ALA  62           2HB      ALA  62   2.458   0.337  -1.177
  496    HB3  ALA  62           3HB      ALA  62   2.897   1.796  -2.094
  497    H    ARG  63           H        ARG  63   0.454  -0.848  -2.033
  498    HA   ARG  63           HA       ARG  63   0.357  -1.053  -4.826
  499    HB2  ARG  63           1HB      ARG  63   0.542  -2.956  -3.237
  500    HB3  ARG  63           2HB      ARG  63  -1.113  -2.689  -2.715
  501    HG2  ARG  63           1HG      ARG  63  -1.038  -4.574  -4.188
  502    HG3  ARG  63           2HG      ARG  63  -1.945  -3.284  -4.970
  503    HD2  ARG  63           1HD      ARG  63   0.018  -2.743  -6.381
  504    HD3  ARG  63           2HD      ARG  63   0.969  -3.984  -5.536
  505    HE   ARG  63           HE       ARG  63  -1.431  -5.154  -6.543
  506   HH11  ARG  63          1HH1      ARG  63   1.695  -4.031  -7.795
  507   HH12  ARG  63          2HH1      ARG  63   1.558  -5.015  -9.218
  508   HH21  ARG  63          1HH2      ARG  63  -1.500  -6.417  -8.381
  509   HH22  ARG  63          2HH2      ARG  63  -0.201  -6.363  -9.529
  510    H    ASP  64           H        ASP  64  -2.381  -0.387  -2.604
  511    HA   ASP  64           HA       ASP  64  -4.372  -0.332  -4.675
  512    HB2  ASP  64           1HB      ASP  64  -4.778  -0.799  -2.279
  513    HB3  ASP  64           2HB      ASP  64  -4.401   0.882  -1.894
  514    H    PHE  65           H        PHE  65  -2.393   2.305  -3.204
  515    HA   PHE  65           HA       PHE  65  -3.747   4.366  -4.741
  516    HB2  PHE  65           1HB      PHE  65  -2.531   4.746  -2.580
  517    HB3  PHE  65           2HB      PHE  65  -1.014   4.520  -3.433
  518    HD1  PHE  65           1HD      PHE  65  -4.101   6.623  -3.250
  519    HD2  PHE  65           2HD      PHE  65  -0.113   6.304  -4.826
  520    HE1  PHE  65           1HE      PHE  65  -4.208   8.989  -3.990
  521    HE2  PHE  65           2HE      PHE  65  -0.211   8.683  -5.542
  522    HZ   PHE  65           HZ       PHE  65  -2.262  10.021  -5.141
  523    H    VAL  66           H        VAL  66  -0.744   2.473  -5.278
  524    HA   VAL  66           HA       VAL  66  -0.034   3.801  -7.737
  525    HB   VAL  66           HB       VAL  66   0.565   0.980  -6.780
  526   HG11  VAL  66          1HG1      VAL  66   0.809   0.920  -9.204
  527   HG12  VAL  66          2HG1      VAL  66   1.646   2.490  -9.205
  528   HG13  VAL  66          3HG1      VAL  66   2.424   1.062  -8.498
  529   HG21  VAL  66          3HG2      VAL  66   2.743   1.905  -6.224
  530   HG22  VAL  66          1HG2      VAL  66   2.318   3.472  -6.955
  531   HG23  VAL  66          2HG2      VAL  66   1.508   2.925  -5.479
  532    H    ASN  67           H        ASN  67  -2.158   1.023  -7.056
  533    HA   ASN  67           HA       ASN  67  -3.001   0.504  -9.739
  534    HB2  ASN  67           1HB      ASN  67  -4.169   0.003  -7.031
  535    HB3  ASN  67           2HB      ASN  67  -5.298   0.028  -8.375
  536   HD21  ASN  67          2HD2      ASN  67  -2.381  -1.581  -7.134
  537   HD22  ASN  67          1HD2      ASN  67  -2.548  -3.009  -8.160
  538    H    TYR  68           H        TYR  68  -4.415   2.917  -7.416
  539    HA   TYR  68           HA       TYR  68  -6.202   4.124  -9.282
  540    HB2  TYR  68           1HB      TYR  68  -6.531   4.736  -7.091
  541    HB3  TYR  68           2HB      TYR  68  -4.840   5.020  -6.764
  542    HD1  TYR  68           2HD      TYR  68  -7.795   6.438  -8.575
  543    HD2  TYR  68           1HD      TYR  68  -3.855   7.168  -6.974
  544    HE1  TYR  68           2HE      TYR  68  -8.104   8.879  -8.931
  545    HE2  TYR  68           1HE      TYR  68  -4.157   9.603  -7.332
  546    HH   TYR  68           HH       TYR  68  -7.196  10.974  -8.682
  547    H    LEU  69           H        LEU  69  -2.736   4.986  -8.680
  548    HA   LEU  69           HA       LEU  69  -2.611   7.048 -10.643
  549    HB2  LEU  69           1HB      LEU  69  -0.424   5.200  -9.640
  550    HB3  LEU  69           2HB      LEU  69  -0.179   6.642 -10.618
  551    HG   LEU  69           HG       LEU  69  -1.385   6.706  -7.830
  552   HD11  LEU  69          1HD1      LEU  69   0.932   5.923  -7.762
  553   HD12  LEU  69          2HD1      LEU  69   1.441   7.243  -8.831
  554   HD13  LEU  69          3HD1      LEU  69   0.865   7.595  -7.194
  555   HD21  LEU  69          3HD2      LEU  69  -0.871   9.144  -7.996
  556   HD22  LEU  69          1HD2      LEU  69  -0.454   8.917  -9.708
  557   HD23  LEU  69          2HD2      LEU  69  -2.113   8.626  -9.137
  558    H    VAL  70           H        VAL  70  -2.157   3.543 -11.095
  559    HA   VAL  70           HA       VAL  70  -1.517   3.722 -13.907
  560    HB   VAL  70           HB       VAL  70  -2.704   1.455 -12.272
  561   HG11  VAL  70          1HG1      VAL  70  -3.388   1.056 -14.600
  562   HG12  VAL  70          2HG1      VAL  70  -1.728   1.360 -15.161
  563   HG13  VAL  70          3HG1      VAL  70  -2.101  -0.057 -14.149
  564   HG21  VAL  70          3HG2      VAL  70  -0.484   0.481 -12.409
  565   HG22  VAL  70          1HG2      VAL  70   0.083   1.808 -13.447
  566   HG23  VAL  70          2HG2      VAL  70  -0.348   2.118 -11.757
  567    H    ARG  71           H        ARG  71  -4.595   3.333 -12.166
  568    HA   ARG  71           HA       ARG  71  -6.266   3.123 -14.483
  569    HB2  ARG  71           1HB      ARG  71  -6.864   3.929 -11.622
  570    HB3  ARG  71           2HB      ARG  71  -8.117   3.705 -12.844
  571    HG2  ARG  71           1HG      ARG  71  -7.650   1.380 -13.103
  572    HG3  ARG  71           2HG      ARG  71  -6.113   1.496 -12.251
  573    HD2  ARG  71           1HD      ARG  71  -7.427   2.193 -10.176
  574    HD3  ARG  71           2HD      ARG  71  -8.897   1.731 -11.059
  575    HE   ARG  71           HE       ARG  71  -7.052  -0.418 -11.216
  576   HH11  ARG  71          1HH1      ARG  71  -9.019   1.137  -8.718
  577   HH12  ARG  71          2HH1      ARG  71  -9.009  -0.275  -7.705
  578   HH21  ARG  71          1HH2      ARG  71  -7.037  -2.185  -9.836
  579   HH22  ARG  71          2HH2      ARG  71  -7.947  -2.145  -8.357
  580    H    ILE  72           H        ILE  72  -4.889   5.970 -12.983
  581    HA   ILE  72           HA       ILE  72  -6.362   7.703 -14.943
  582    HB   ILE  72           HB       ILE  72  -5.660   9.613 -13.694
  583   HG12  ILE  72          1HG1      ILE  72  -4.386   7.838 -11.598
  584   HG13  ILE  72          2HG1      ILE  72  -3.440   8.592 -12.873
  585   HG21  ILE  72          1HG2      ILE  72  -7.733   8.373 -13.058
  586   HG22  ILE  72          2HG2      ILE  72  -6.819   7.534 -11.786
  587   HG23  ILE  72          3HG2      ILE  72  -7.039   9.293 -11.718
  588   HD11  ILE  72          3HD1      ILE  72  -3.323   9.922 -10.850
  589   HD12  ILE  72          1HD1      ILE  72  -4.191  10.830 -12.104
  590   HD13  ILE  72          2HD1      ILE  72  -5.085  10.057 -10.775
  591    H    ASN  73           H        ASN  73  -3.756   5.873 -15.198
  592    HA   ASN  73           HA       ASN  73  -2.058   5.738 -16.603
  593    HB2  ASN  73           1HB      ASN  73  -3.878   6.574 -18.146
  594    HB3  ASN  73           2HB      ASN  73  -3.160   8.179 -18.028
  595   HD21  ASN  73          2HD2      ASN  73  -2.416   8.422 -20.144
  596   HD22  ASN  73          1HD2      ASN  73  -1.254   7.340 -20.884
  597    H    GLU  74           H        GLU  74  -1.740   7.556 -14.207
  598    HA   GLU  74           HA       GLU  74   0.570   9.246 -15.010
  599    HB2  GLU  74           1HB      GLU  74  -0.871   8.855 -12.363
  600    HB3  GLU  74           2HB      GLU  74   0.545   9.875 -12.574
  601    HG2  GLU  74           1HG      GLU  74  -2.134  10.258 -13.960
  602    HG3  GLU  74           2HG      GLU  74  -1.497  11.211 -12.624
  603    H    VAL  75           H        VAL  75   0.076   6.045 -14.161
  604    HA   VAL  75           HA       VAL  75   3.010   5.606 -13.945
  605    HB   VAL  75           HB       VAL  75   0.876   4.202 -12.259
  606   HG11  VAL  75          1HG1      VAL  75   2.527   2.530 -13.031
  607   HG12  VAL  75          2HG1      VAL  75   3.858   3.618 -12.543
  608   HG13  VAL  75          3HG1      VAL  75   2.786   2.885 -11.330
  609   HG21  VAL  75          3HG2      VAL  75   2.045   4.971 -10.313
  610   HG22  VAL  75          1HG2      VAL  75   3.400   5.561 -11.284
  611   HG23  VAL  75          2HG2      VAL  75   1.845   6.404 -11.336
  612    H    LYS  76           H        LYS  76   3.666   3.970 -15.377
  613    HA   LYS  76           HA       LYS  76   1.564   2.555 -16.925
  614    HB2  LYS  76           1HB      LYS  76   4.578   2.405 -17.241
  615    HB3  LYS  76           2HB      LYS  76   3.361   1.812 -18.357
  616    HG2  LYS  76           1HG      LYS  76   3.956   4.708 -17.670
  617    HG3  LYS  76           2HG      LYS  76   4.323   3.873 -19.167
  618    HD2  LYS  76           1HD      LYS  76   1.552   4.631 -18.144
  619    HD3  LYS  76           2HD      LYS  76   2.446   5.384 -19.464
  620    HE2  LYS  76           1HE      LYS  76   2.406   3.173 -20.692
  621    HE3  LYS  76           2HE      LYS  76   1.371   2.527 -19.411
  622    HZ1  LYS  76           3HZ      LYS  76   0.004   3.315 -21.206
  623    HZ2  LYS  76           1HZ      LYS  76  -0.222   4.353 -19.953
  624    HZ3  LYS  76           2HZ      LYS  76   0.717   4.785 -21.217
  625    H    SER  77           H        SER  77   1.067   0.489 -16.671
  626    HA   SER  77           HA       SER  77   1.490  -0.727 -14.140
  627    HB2  SER  77           1HB      SER  77   0.360  -2.707 -15.168
  628    HB3  SER  77           2HB      SER  77  -0.501  -1.171 -15.340
  629    HG   SER  77           HG       SER  77  -0.436  -2.391 -17.324
  630    H    GLU  78           H        GLU  78   3.193  -1.324 -17.197
  631    HA   GLU  78           HA       GLU  78   4.533  -3.716 -16.482
  632    HB2  GLU  78           1HB      GLU  78   5.358  -1.467 -18.357
  633    HB3  GLU  78           2HB      GLU  78   6.177  -3.024 -18.273
  634    HG2  GLU  78           1HG      GLU  78   3.238  -2.659 -19.010
  635    HG3  GLU  78           2HG      GLU  78   4.558  -2.841 -20.155
  636    H    GLU  79           H        GLU  79   5.138  -0.505 -15.284
  637    HA   GLU  79           HA       GLU  79   7.880  -1.111 -14.363
  638    HB2  GLU  79           1HB      GLU  79   6.040   1.265 -13.870
  639    HB3  GLU  79           2HB      GLU  79   7.713   1.148 -13.373
  640    HG2  GLU  79           1HG      GLU  79   6.706   1.175 -16.253
  641    HG3  GLU  79           2HG      GLU  79   7.451   2.518 -15.400
  642    H    VAL  80           H        VAL  80   4.697  -1.646 -13.178
  643    HA   VAL  80           HA       VAL  80   5.210  -0.951 -10.404
  644    HB   VAL  80           HB       VAL  80   2.807  -2.379 -11.597
  645   HG11  VAL  80          1HG1      VAL  80   2.933  -2.763  -9.185
  646   HG12  VAL  80          2HG1      VAL  80   3.230  -1.043  -8.892
  647   HG13  VAL  80          3HG1      VAL  80   1.657  -1.593  -9.519
  648   HG21  VAL  80          3HG2      VAL  80   1.707  -0.175 -11.474
  649   HG22  VAL  80          1HG2      VAL  80   3.224   0.563 -10.912
  650   HG23  VAL  80          2HG2      VAL  80   3.098  -0.106 -12.553
  651    HA   PRO  81           HA       PRO  81   6.581  -5.177  -9.378
  652    HB2  PRO  81           1HB      PRO  81   7.326  -4.802  -6.794
  653    HB3  PRO  81           2HB      PRO  81   8.266  -4.127  -8.162
  654    HG2  PRO  81           1HG      PRO  81   6.196  -2.725  -6.453
  655    HG3  PRO  81           2HG      PRO  81   7.836  -2.150  -6.896
  656    HD2  PRO  81           1HD      PRO  81   5.570  -1.387  -8.246
  657    HD3  PRO  81           2HD      PRO  81   7.145  -1.580  -9.066
  658    H    ALA  82           H        ALA  82   5.626  -6.955  -8.387
  659    HA   ALA  82           HA       ALA  82   2.876  -6.601  -7.420
  660    HB1  ALA  82           1HB      ALA  82   3.392  -8.274  -9.142
  661    HB2  ALA  82           2HB      ALA  82   4.503  -9.103  -8.026
  662    HB3  ALA  82           3HB      ALA  82   2.764  -9.041  -7.670
  663    H    VAL  83           H        VAL  83   2.301  -6.546  -5.320
  664    HA   VAL  83           HA       VAL  83   4.053  -6.851  -3.172
  665    HB   VAL  83           HB       VAL  83   1.880  -5.512  -3.507
  666   HG11  VAL  83          1HG1      VAL  83   0.344  -7.397  -3.981
  667   HG12  VAL  83          2HG1      VAL  83   0.549  -7.972  -2.310
  668   HG13  VAL  83          3HG1      VAL  83  -0.187  -6.391  -2.622
  669   HG21  VAL  83          3HG2      VAL  83   1.576  -5.228  -1.176
  670   HG22  VAL  83          1HG2      VAL  83   2.313  -6.815  -0.820
  671   HG23  VAL  83          2HG2      VAL  83   3.292  -5.508  -1.534
  672    H    GLY  84           H        GLY  84   2.418  -9.338  -4.888
  673    HA2  GLY  84           1HA      GLY  84   3.547 -11.508  -3.545
  674    HA3  GLY  84           2HA      GLY  84   1.972 -11.279  -2.807
  675    H    ILE  85           H        ILE  85   2.435 -13.602  -4.031
  676    HA   ILE  85           HA       ILE  85   0.987 -13.556  -6.658
  677    HB   ILE  85           HB       ILE  85   2.946 -15.612  -5.563
  678   HG12  ILE  85          1HG1      ILE  85   4.176 -13.565  -6.110
  679   HG13  ILE  85          2HG1      ILE  85   4.563 -14.880  -7.182
  680   HG21  ILE  85          1HG2      ILE  85   1.371 -16.695  -7.039
  681   HG22  ILE  85          2HG2      ILE  85   1.550 -15.424  -8.266
  682   HG23  ILE  85          3HG2      ILE  85   2.900 -16.519  -7.900
  683   HD11  ILE  85          3HD1      ILE  85   4.402 -12.738  -8.383
  684   HD12  ILE  85          1HD1      ILE  85   3.181 -13.871  -8.979
  685   HD13  ILE  85          2HD1      ILE  85   2.715 -12.550  -7.882
  686    H    VAL  86           H        VAL  86  -0.850 -14.777  -6.841
  687    HA   VAL  86           HA       VAL  86  -1.703 -16.572  -4.635
  688    HB   VAL  86           HB       VAL  86  -3.455 -14.331  -5.719
  689   HG11  VAL  86          1HG1      VAL  86  -4.769 -16.318  -5.064
  690   HG12  VAL  86          2HG1      VAL  86  -3.945 -16.363  -3.490
  691   HG13  VAL  86          3HG1      VAL  86  -5.019 -15.012  -3.910
  692   HG21  VAL  86          3HG2      VAL  86  -3.360 -13.375  -3.425
  693   HG22  VAL  86          1HG2      VAL  86  -2.130 -14.576  -2.982
  694   HG23  VAL  86          2HG2      VAL  86  -1.786 -13.340  -4.217
  695    HA   PRO  87           HA       PRO  87  -2.802 -18.997  -8.246
  696    HB2  PRO  87           1HB      PRO  87  -4.816 -20.250  -6.369
  697    HB3  PRO  87           2HB      PRO  87  -3.688 -21.053  -7.505
  698    HG2  PRO  87           1HG      PRO  87  -3.095 -20.944  -4.872
  699    HG3  PRO  87           2HG      PRO  87  -1.817 -20.594  -6.085
  700    HD2  PRO  87           1HD      PRO  87  -3.484 -18.628  -4.491
  701    HD3  PRO  87           2HD      PRO  87  -1.721 -18.635  -4.807
  702    HA   PRO  88           HA       PRO  88  -6.496 -17.298 -10.101
  703    HB2  PRO  88           1HB      PRO  88  -7.094 -20.097 -11.079
  704    HB3  PRO  88           2HB      PRO  88  -7.098 -18.560 -12.000
  705    HG2  PRO  88           1HG      PRO  88  -5.000 -20.255 -12.200
  706    HG3  PRO  88           2HG      PRO  88  -4.705 -18.492 -12.026
  707    HD2  PRO  88           1HD      PRO  88  -4.609 -20.634  -9.881
  708    HD3  PRO  88           2HD      PRO  88  -3.451 -19.309 -10.219
  709    HA   PRO  89           HA       PRO  89  -9.840 -18.306  -7.292
  710    HB2  PRO  89           1HB      PRO  89 -11.986 -17.078  -8.451
  711    HB3  PRO  89           2HB      PRO  89 -10.616 -16.170  -7.741
  712    HG2  PRO  89           1HG      PRO  89 -11.038 -16.914 -10.657
  713    HG3  PRO  89           2HG      PRO  89 -10.649 -15.299  -9.975
  714    HD2  PRO  89           1HD      PRO  89  -8.716 -16.936 -10.972
  715    HD3  PRO  89           2HD      PRO  89  -8.415 -15.929  -9.523
  716    H    SER  90           H        SER  90  -9.815 -19.516 -10.565
  717    HA   SER  90           HA       SER  90 -12.074 -21.362 -10.231
  718    HB2  SER  90           1HB      SER  90 -11.230 -22.197 -12.441
  719    HB3  SER  90           2HB      SER  90 -11.659 -20.480 -12.417
  720    HG   SER  90           HG       SER  90  -9.630 -20.890 -13.475
  721    H    GLY  91           H        GLY  91  -8.963 -21.301  -8.965
  722    HA2  GLY  91           1HA      GLY  91  -8.301 -24.156  -9.183
  723    HA3  GLY  91           2HA      GLY  91  -7.433 -22.912  -8.262
  724    HA   PRO  92           HA       PRO  92  -9.993 -25.710  -5.431
  725    HB2  PRO  92           1HB      PRO  92  -7.995 -27.092  -4.174
  726    HB3  PRO  92           2HB      PRO  92  -8.689 -27.597  -5.745
  727    HG2  PRO  92           1HG      PRO  92  -6.159 -25.990  -5.261
  728    HG3  PRO  92           2HG      PRO  92  -6.371 -27.430  -6.308
  729    HD2  PRO  92           1HD      PRO  92  -6.456 -24.896  -7.307
  730    HD3  PRO  92           2HD      PRO  92  -7.524 -26.181  -7.948
  731    H    SER  93           H        SER  93 -10.331 -25.316  -3.242
  732    HA   SER  93           HA       SER  93  -8.541 -23.850  -1.512
  733    HB2  SER  93           1HB      SER  93  -9.140 -21.983  -3.017
  734    HB3  SER  93           2HB      SER  93 -10.854 -22.261  -2.690
  735    HG   SER  93           HG       SER  93  -9.934 -20.576  -1.384
  736    H    SER  94           H        SER  94 -12.094 -24.224  -2.103
  737    HA   SER  94           HA       SER  94 -12.440 -25.084   0.758
  738    HB2  SER  94           1HB      SER  94 -14.415 -23.777  -1.144
  739    HB3  SER  94           2HB      SER  94 -14.745 -24.265   0.524
  740    HG   SER  94           HG       SER  94 -12.774 -22.349  -0.278
  741    H    GLY  95           H        GLY  95 -12.061 -26.597  -2.063
  742    HA2  GLY  95           1HA      GLY  95 -13.227 -29.078  -1.378
  743    HA3  GLY  95           2HA      GLY  95 -14.309 -28.266  -2.516
  Start of MODEL    9
    1    H1   GLY  -3           1H       GLY  -3  17.814   0.651  11.228
    2    H2   GLY  -3           2H       GLY  -3  18.342   0.405   9.698
    3    H3   GLY  -3           3H       GLY  -3  17.974   1.920  10.202
    4    HA2  GLY  -3           1HA      GLY  -3  15.651   1.348  10.445
    5    HA3  GLY  -3           2HA      GLY  -3  16.221   1.096   8.785
    6    H    SER  -2           H        SER  -2  13.946  -0.194   9.640
    7    HA   SER  -2           HA       SER  -2  14.434  -2.799  10.758
    8    HB2  SER  -2           1HB      SER  -2  12.001  -1.797   9.242
    9    HB3  SER  -2           2HB      SER  -2  12.072  -3.165  10.366
   10    HG   SER  -2           HG       SER  -2  11.252  -1.247  11.370
   11    H    SER  -1           H        SER  -1  14.898  -1.740   7.539
   12    HA   SER  -1           HA       SER  -1  15.613  -4.375   6.596
   13    HB2  SER  -1           1HB      SER  -1  13.122  -4.426   6.250
   14    HB3  SER  -1           2HB      SER  -1  13.277  -2.996   5.215
   15    HG   SER  -1           HG       SER  -1  13.317  -4.819   3.906
   16    H    GLY   0           H        GLY   0  16.599  -4.246   4.426
   17    HA2  GLY   0           1HA      GLY   0  18.040  -1.711   3.980
   18    HA3  GLY   0           2HA      GLY   0  18.284  -3.260   3.138
   19    H    SER   1           H        SER   1  15.187  -3.216   2.660
   20    HA   SER   1           HA       SER   1  14.645  -1.078   0.813
   21    HB2  SER   1           1HB      SER   1  16.465  -2.428  -0.414
   22    HB3  SER   1           2HB      SER   1  15.268  -3.722  -0.541
   23    HG   SER   1           HG       SER   1  15.326  -2.278  -2.378
   24    H    SER   2           H        SER   2  12.843  -1.946  -0.813
   25    HA   SER   2           HA       SER   2  11.162  -4.098  -0.064
   26    HB2  SER   2           1HB      SER   2   9.125  -2.964   0.602
   27    HB3  SER   2           2HB      SER   2  10.403  -2.650   1.770
   28    HG   SER   2           HG       SER   2  10.645  -0.585   0.944
   29    H    GLY   3           H        GLY   3   8.913  -3.779  -1.421
   30    HA2  GLY   3           1HA      GLY   3   9.889  -3.294  -4.193
   31    HA3  GLY   3           2HA      GLY   3   8.523  -4.298  -3.683
   32    H    ILE   4           H        ILE   4   6.582  -3.249  -2.967
   33    HA   ILE   4           HA       ILE   4   5.962  -1.126  -4.881
   34    HB   ILE   4           HB       ILE   4   4.569  -3.121  -4.662
   35   HG12  ILE   4          1HG1      ILE   4   2.365  -2.085  -4.623
   36   HG13  ILE   4          2HG1      ILE   4   3.016  -0.590  -3.963
   37   HG21  ILE   4          1HG2      ILE   4   4.717  -3.484  -2.217
   38   HG22  ILE   4          2HG2      ILE   4   3.736  -2.029  -1.944
   39   HG23  ILE   4          3HG2      ILE   4   3.041  -3.435  -2.768
   40   HD11  ILE   4          3HD1      ILE   4   2.557  -0.544  -6.426
   41   HD12  ILE   4          1HD1      ILE   4   4.250  -0.198  -6.053
   42   HD13  ILE   4          2HD1      ILE   4   3.778  -1.805  -6.658
   43    H    LYS   5           H        LYS   5   6.180  -1.231  -1.365
   44    HA   LYS   5           HA       LYS   5   5.109   1.413  -0.889
   45    HB2  LYS   5           1HB      LYS   5   5.615  -0.669   0.654
   46    HB3  LYS   5           2HB      LYS   5   7.208   0.032   0.830
   47    HG2  LYS   5           1HG      LYS   5   4.574   1.450   1.471
   48    HG3  LYS   5           2HG      LYS   5   5.524   0.517   2.626
   49    HD2  LYS   5           1HD      LYS   5   7.471   2.085   2.214
   50    HD3  LYS   5           2HD      LYS   5   6.360   3.112   1.271
   51    HE2  LYS   5           1HE      LYS   5   4.844   3.271   3.236
   52    HE3  LYS   5           2HE      LYS   5   5.900   2.200   4.155
   53    HZ1  LYS   5           3HZ      LYS   5   6.284   4.491   4.728
   54    HZ2  LYS   5           1HZ      LYS   5   7.635   3.888   4.034
   55    HZ3  LYS   5           2HZ      LYS   5   6.660   4.895   3.185
   56    H    ASN   6           H        ASN   6   8.382   0.159  -1.464
   57    HA   ASN   6           HA       ASN   6   9.825   2.622  -1.553
   58    HB2  ASN   6           1HB      ASN   6  10.716   0.243  -1.410
   59    HB3  ASN   6           2HB      ASN   6  10.280   0.041  -3.095
   60   HD21  ASN   6          2HD2      ASN   6  12.591  -0.583  -3.132
   61   HD22  ASN   6          1HD2      ASN   6  13.774   0.694  -3.408
   62    H    PHE   7           H        PHE   7   7.987   0.835  -4.093
   63    HA   PHE   7           HA       PHE   7   8.845   2.411  -6.303
   64    HB2  PHE   7           1HB      PHE   7   7.811   0.196  -6.518
   65    HB3  PHE   7           2HB      PHE   7   6.295   0.822  -5.892
   66    HD1  PHE   7           2HD      PHE   7   8.633   0.917  -8.780
   67    HD2  PHE   7           1HD      PHE   7   4.760   2.063  -7.274
   68    HE1  PHE   7           2HE      PHE   7   7.912   1.518 -11.077
   69    HE2  PHE   7           1HE      PHE   7   4.047   2.671  -9.565
   70    HZ   PHE   7           HZ       PHE   7   5.617   2.385 -11.479
   71    H    LEU   8           H        LEU   8   5.900   2.751  -4.217
   72    HA   LEU   8           HA       LEU   8   4.934   5.077  -5.569
   73    HB2  LEU   8           1HB      LEU   8   3.611   3.659  -4.010
   74    HB3  LEU   8           2HB      LEU   8   4.592   4.238  -2.654
   75    HG   LEU   8           HG       LEU   8   3.747   6.496  -2.892
   76   HD11  LEU   8          1HD1      LEU   8   3.489   6.727  -5.329
   77   HD12  LEU   8          2HD1      LEU   8   2.180   5.525  -5.326
   78   HD13  LEU   8          3HD1      LEU   8   1.974   7.100  -4.522
   79   HD21  LEU   8          3HD2      LEU   8   1.383   6.127  -2.352
   80   HD22  LEU   8          1HD2      LEU   8   1.441   4.515  -3.096
   81   HD23  LEU   8          2HD2      LEU   8   2.375   4.855  -1.623
   82    H    TYR   9           H        TYR   9   7.137   4.764  -2.758
   83    HA   TYR   9           HA       TYR   9   7.471   7.544  -2.303
   84    HB2  TYR   9           1HB      TYR   9   8.058   5.694  -0.746
   85    HB3  TYR   9           2HB      TYR   9   9.415   5.264  -1.774
   86    HD1  TYR   9           1HD      TYR   9   8.057   7.783   0.575
   87    HD2  TYR   9           2HD      TYR   9  11.457   6.619  -1.808
   88    HE1  TYR   9           1HE      TYR   9   9.462   9.456   1.769
   89    HE2  TYR   9           2HE      TYR   9  12.865   8.290  -0.621
   90    HH   TYR   9           HH       TYR   9  12.939   9.925   0.999
   91    H    ALA  10           H        ALA  10   9.389   5.327  -4.366
   92    HA   ALA  10           HA       ALA  10  11.261   7.309  -5.291
   93    HB1  ALA  10           1HB      ALA  10  11.692   4.875  -5.318
   94    HB2  ALA  10           2HB      ALA  10  10.396   4.647  -6.514
   95    HB3  ALA  10           3HB      ALA  10  11.851   5.571  -6.941
   96    H    TRP  11           H        TRP  11   8.144   6.147  -6.662
   97    HA   TRP  11           HA       TRP  11   8.178   7.685  -9.063
   98    HB2  TRP  11           1HB      TRP  11   6.624   5.854  -8.638
   99    HB3  TRP  11           2HB      TRP  11   5.903   6.712  -7.295
  100    HD1  TRP  11           HD       TRP  11   5.857   6.585 -11.097
  101    HE1  TRP  11           1HE      TRP  11   3.855   7.935 -11.964
  102    HE3  TRP  11           3HE      TRP  11   4.339   8.706  -6.698
  103    HZ2  TRP  11           2HZ      TRP  11   2.059   9.956 -10.926
  104    HZ3  TRP  11           3HZ      TRP  11   2.442  10.296  -6.654
  105    HH2  TRP  11           HH       TRP  11   1.297  10.937  -8.765
  106    H    CYS  12           H        CYS  12   6.853   8.467  -5.830
  107    HA   CYS  12           HA       CYS  12   6.102  11.178  -6.347
  108    HB2  CYS  12           1HB      CYS  12   7.104   9.798  -3.818
  109    HB3  CYS  12           2HB      CYS  12   6.474  11.446  -3.856
  110    HG   CYS  12           HG       CYS  12   4.974   8.604  -4.563
  111    H    GLY  13           H        GLY  13   9.265   9.901  -5.203
  112    HA2  GLY  13           1HA      GLY  13  10.571  12.413  -4.967
  113    HA3  GLY  13           2HA      GLY  13  11.368  10.831  -5.135
  114    H    LYS  14           H        LYS  14  10.101  10.399  -7.844
  115    HA   LYS  14           HA       LYS  14  11.996  11.915  -9.511
  116    HB2  LYS  14           1HB      LYS  14   9.883   9.788 -10.043
  117    HB3  LYS  14           2HB      LYS  14  10.801  10.564 -11.341
  118    HG2  LYS  14           1HG      LYS  14  12.913   9.777 -10.452
  119    HG3  LYS  14           2HG      LYS  14  12.130   9.107  -9.015
  120    HD2  LYS  14           1HD      LYS  14  10.844   7.531 -10.442
  121    HD3  LYS  14           2HD      LYS  14  11.642   8.197 -11.886
  122    HE2  LYS  14           1HE      LYS  14  13.858   7.541 -10.939
  123    HE3  LYS  14           2HE      LYS  14  13.046   6.856  -9.525
  124    HZ1  LYS  14           3HZ      LYS  14  13.556   5.149 -11.167
  125    HZ2  LYS  14           1HZ      LYS  14  11.935   5.278 -11.014
  126    HZ3  LYS  14           2HZ      LYS  14  12.690   5.914 -12.319
  127    H    ARG  15           H        ARG  15   8.959  12.585  -8.275
  128    HA   ARG  15           HA       ARG  15   8.267  14.578 -10.393
  129    HB2  ARG  15           1HB      ARG  15   6.501  13.011  -8.477
  130    HB3  ARG  15           2HB      ARG  15   5.933  14.249  -9.609
  131    HG2  ARG  15           1HG      ARG  15   6.727  12.856 -11.518
  132    HG3  ARG  15           2HG      ARG  15   7.286  11.629 -10.405
  133    HD2  ARG  15           1HD      ARG  15   5.194  10.903 -11.235
  134    HD3  ARG  15           2HD      ARG  15   4.971  11.338  -9.546
  135    HE   ARG  15           HE       ARG  15   3.972  13.489 -10.309
  136   HH11  ARG  15          1HH1      ARG  15   3.928  10.849 -12.730
  137   HH12  ARG  15          2HH1      ARG  15   2.501  11.562 -13.478
  138   HH21  ARG  15          1HH2      ARG  15   2.169  14.249 -11.472
  139   HH22  ARG  15          2HH2      ARG  15   1.605  13.282 -12.833
  140    H    LYS  16           H        LYS  16   9.836  14.602  -7.596
  141    HA   LYS  16           HA       LYS  16  10.268  16.048  -5.922
  142    HB2  LYS  16           1HB      LYS  16   8.706  18.093  -7.547
  143    HB3  LYS  16           2HB      LYS  16   9.839  18.427  -6.239
  144    HG2  LYS  16           1HG      LYS  16  11.664  17.324  -7.553
  145    HG3  LYS  16           2HG      LYS  16  10.551  17.149  -8.916
  146    HD2  LYS  16           1HD      LYS  16  11.390  19.789  -7.640
  147    HD3  LYS  16           2HD      LYS  16  12.045  19.108  -9.137
  148    HE2  LYS  16           1HE      LYS  16   9.769  19.182 -10.162
  149    HE3  LYS  16           2HE      LYS  16   9.131  19.907  -8.680
  150    HZ1  LYS  16           3HZ      LYS  16   9.646  21.596 -10.334
  151    HZ2  LYS  16           1HZ      LYS  16  10.621  21.797  -9.039
  152    HZ3  LYS  16           2HZ      LYS  16  11.208  21.128 -10.413
  153    H    MET  17           H        MET  17   8.005  14.339  -5.607
  154    HA   MET  17           HA       MET  17   6.353  15.813  -3.576
  155    HB2  MET  17           1HB      MET  17   5.626  13.404  -5.299
  156    HB3  MET  17           2HB      MET  17   4.597  14.117  -4.055
  157    HG2  MET  17           1HG      MET  17   4.669  16.288  -5.332
  158    HG3  MET  17           2HG      MET  17   5.484  15.435  -6.639
  159    HE1  MET  17           3HE      MET  17   2.715  12.833  -7.751
  160    HE2  MET  17           1HE      MET  17   4.421  13.294  -7.853
  161    HE3  MET  17           2HE      MET  17   3.795  12.511  -6.387
  162    H    THR  18           H        THR  18   5.432  14.238  -1.947
  163    HA   THR  18           HA       THR  18   7.106  11.884  -1.285
  164    HB   THR  18           HB       THR  18   6.455  14.017   0.790
  165    HG1  THR  18           1HG      THR  18   8.843  13.463  -0.648
  166   HG21  THR  18          3HG2      THR  18   8.108  12.778   2.162
  167   HG22  THR  18          1HG2      THR  18   6.728  11.758   1.742
  168   HG23  THR  18          2HG2      THR  18   8.272  11.561   0.878
  169    HA   PRO  19           HA       PRO  19   2.823  10.653  -0.482
  170    HB2  PRO  19           1HB      PRO  19   3.145   8.044   0.184
  171    HB3  PRO  19           2HB      PRO  19   3.444   8.631  -1.481
  172    HG2  PRO  19           1HG      PRO  19   5.482   8.156   0.718
  173    HG3  PRO  19           2HG      PRO  19   5.541   7.601  -0.984
  174    HD2  PRO  19           1HD      PRO  19   6.807   9.874  -0.082
  175    HD3  PRO  19           2HD      PRO  19   6.154   9.737  -1.737
  176    H    ALA  20           H        ALA  20   1.462  10.280   1.293
  177    HA   ALA  20           HA       ALA  20   2.713  10.368   4.018
  178    HB1  ALA  20           1HB      ALA  20   1.895  12.588   3.349
  179    HB2  ALA  20           2HB      ALA  20   0.296  11.903   2.976
  180    HB3  ALA  20           3HB      ALA  20   0.895  11.904   4.649
  181    H    TYR  21           H        TYR  21   2.242   8.640   5.128
  182    HA   TYR  21           HA       TYR  21  -0.126   6.968   4.487
  183    HB2  TYR  21           1HB      TYR  21   2.437   6.371   6.011
  184    HB3  TYR  21           2HB      TYR  21   1.115   5.240   5.809
  185    HD1  TYR  21           1HD      TYR  21   3.762   7.118   3.949
  186    HD2  TYR  21           2HD      TYR  21   0.878   3.918   3.835
  187    HE1  TYR  21           1HE      TYR  21   4.771   6.284   1.839
  188    HE2  TYR  21           2HE      TYR  21   1.906   3.061   1.739
  189    HH   TYR  21           HH       TYR  21   4.693   4.701   0.175
  190    H    GLU  22           H        GLU  22  -1.400   6.033   6.191
  191    HA   GLU  22           HA       GLU  22  -1.110   7.047   8.952
  192    HB2  GLU  22           1HB      GLU  22  -2.571   8.693   7.766
  193    HB3  GLU  22           2HB      GLU  22  -3.712   7.392   7.399
  194    HG2  GLU  22           1HG      GLU  22  -4.119   7.031   9.795
  195    HG3  GLU  22           2HG      GLU  22  -2.849   8.184  10.219
  196    H    ILE  23           H        ILE  23  -1.853   5.575  10.489
  197    HA   ILE  23           HA       ILE  23  -2.773   2.913   9.459
  198    HB   ILE  23           HB       ILE  23  -0.463   3.611  11.304
  199   HG12  ILE  23          1HG1      ILE  23  -0.616   2.045   8.687
  200   HG13  ILE  23          2HG1      ILE  23  -0.033   3.702   8.856
  201   HG21  ILE  23          1HG2      ILE  23  -1.617   1.678  12.330
  202   HG22  ILE  23          2HG2      ILE  23  -1.547   0.808  10.775
  203   HG23  ILE  23          3HG2      ILE  23  -0.071   1.216  11.673
  204   HD11  ILE  23          3HD1      ILE  23   1.889   2.357   8.686
  205   HD12  ILE  23          1HD1      ILE  23   1.787   2.826  10.392
  206   HD13  ILE  23          2HD1      ILE  23   1.302   1.188   9.873
  207    H    ARG  24           H        ARG  24  -3.952   1.606  10.794
  208    HA   ARG  24           HA       ARG  24  -4.866   2.593  13.452
  209    HB2  ARG  24           1HB      ARG  24  -6.537   3.273  11.696
  210    HB3  ARG  24           2HB      ARG  24  -6.706   1.568  11.262
  211    HG2  ARG  24           1HG      ARG  24  -7.535   1.058  13.541
  212    HG3  ARG  24           2HG      ARG  24  -7.365   2.769  13.985
  213    HD2  ARG  24           1HD      ARG  24  -9.024   3.381  12.268
  214    HD3  ARG  24           2HD      ARG  24  -9.130   1.685  11.746
  215    HE   ARG  24           HE       ARG  24  -9.668   1.809  14.534
  216   HH11  ARG  24          1HH1      ARG  24 -11.253   2.737  11.509
  217   HH12  ARG  24          2HH1      ARG  24 -12.845   2.583  12.190
  218   HH21  ARG  24          1HH2      ARG  24 -11.747   1.635  15.350
  219   HH22  ARG  24          2HH2      ARG  24 -13.117   1.969  14.335
  220    H    ALA  25           H        ALA  25  -5.085   0.980  14.915
  221    HA   ALA  25           HA       ALA  25  -4.378  -1.807  14.162
  222    HB1  ALA  25           1HB      ALA  25  -3.231  -0.732  16.078
  223    HB2  ALA  25           2HB      ALA  25  -4.795  -0.524  16.897
  224    HB3  ALA  25           3HB      ALA  25  -4.169  -2.154  16.575
  225    H    VAL  26           H        VAL  26  -5.785  -3.517  14.265
  226    HA   VAL  26           HA       VAL  26  -8.574  -3.161  15.236
  227    HB   VAL  26           HB       VAL  26  -9.510  -4.028  13.127
  228   HG11  VAL  26          1HG1      VAL  26  -9.480  -1.579  13.580
  229   HG12  VAL  26          2HG1      VAL  26  -7.990  -1.446  12.612
  230   HG13  VAL  26          3HG1      VAL  26  -9.500  -1.991  11.861
  231   HG21  VAL  26          3HG2      VAL  26  -8.240  -4.008  11.033
  232   HG22  VAL  26          1HG2      VAL  26  -6.754  -3.566  11.897
  233   HG23  VAL  26          2HG2      VAL  26  -7.523  -5.145  12.173
  234    H    GLY  27           H        GLY  27  -9.824  -5.173  15.210
  235    HA2  GLY  27           1HA      GLY  27 -10.131  -7.483  15.316
  236    HA3  GLY  27           2HA      GLY  27  -8.422  -7.738  14.930
  237    H    ASN  28           H        ASN  28  -8.961  -9.456  16.537
  238    HA   ASN  28           HA       ASN  28  -9.249  -9.040  19.327
  239    HB2  ASN  28           1HB      ASN  28  -9.618 -11.191  18.267
  240    HB3  ASN  28           2HB      ASN  28  -7.959 -11.248  17.670
  241   HD21  ASN  28          2HD2      ASN  28 -10.009 -11.676  20.541
  242   HD22  ASN  28          1HD2      ASN  28  -8.739 -12.381  21.524
  243    H    LYS  29           H        LYS  29  -7.790  -8.742  21.023
  244    HA   LYS  29           HA       LYS  29  -5.486  -7.167  20.521
  245    HB2  LYS  29           1HB      LYS  29  -6.257  -8.733  23.030
  246    HB3  LYS  29           2HB      LYS  29  -5.114  -7.401  22.975
  247    HG2  LYS  29           1HG      LYS  29  -8.115  -7.272  22.442
  248    HG3  LYS  29           2HG      LYS  29  -7.246  -6.702  23.851
  249    HD2  LYS  29           1HD      LYS  29  -7.027  -5.577  21.017
  250    HD3  LYS  29           2HD      LYS  29  -7.903  -4.840  22.356
  251    HE2  LYS  29           1HE      LYS  29  -5.869  -4.419  23.593
  252    HE3  LYS  29           2HE      LYS  29  -4.902  -5.375  22.463
  253    HZ1  LYS  29           3HZ      LYS  29  -4.725  -2.974  22.065
  254    HZ2  LYS  29           1HZ      LYS  29  -5.287  -3.768  20.754
  255    HZ3  LYS  29           2HZ      LYS  29  -6.315  -2.888  21.693
  256    H    ASN  30           H        ASN  30  -5.610 -10.563  21.561
  257    HA   ASN  30           HA       ASN  30  -2.741 -10.911  21.558
  258    HB2  ASN  30           1HB      ASN  30  -4.364 -12.270  22.889
  259    HB3  ASN  30           2HB      ASN  30  -4.926 -13.020  21.395
  260   HD21  ASN  30          2HD2      ASN  30  -4.166 -15.137  21.539
  261   HD22  ASN  30          1HD2      ASN  30  -2.493 -15.549  21.861
  262    H    ARG  31           H        ARG  31  -5.162 -11.261  19.034
  263    HA   ARG  31           HA       ARG  31  -3.105 -12.103  17.023
  264    HB2  ARG  31           1HB      ARG  31  -6.111 -12.569  17.025
  265    HB3  ARG  31           2HB      ARG  31  -4.969 -13.099  15.784
  266    HG2  ARG  31           1HG      ARG  31  -3.807 -14.515  17.485
  267    HG3  ARG  31           2HG      ARG  31  -5.032 -14.063  18.679
  268    HD2  ARG  31           1HD      ARG  31  -5.532 -15.533  16.058
  269    HD3  ARG  31           2HD      ARG  31  -5.502 -16.270  17.654
  270    HE   ARG  31           HE       ARG  31  -7.667 -14.753  16.429
  271   HH11  ARG  31          1HH1      ARG  31  -6.439 -15.824  19.567
  272   HH12  ARG  31          2HH1      ARG  31  -7.984 -15.624  20.340
  273   HH21  ARG  31          1HH2      ARG  31  -9.624 -14.538  17.474
  274   HH22  ARG  31          2HH2      ARG  31  -9.761 -14.910  19.165
  275    H    GLN  32           H        GLN  32  -3.029  -9.478  17.561
  276    HA   GLN  32           HA       GLN  32  -5.081  -7.934  16.277
  277    HB2  GLN  32           1HB      GLN  32  -3.678  -7.326  18.303
  278    HB3  GLN  32           2HB      GLN  32  -2.364  -6.923  17.192
  279    HG2  GLN  32           1HG      GLN  32  -3.763  -5.165  16.173
  280    HG3  GLN  32           2HG      GLN  32  -5.165  -5.697  17.113
  281   HE21  GLN  32          2HE2      GLN  32  -1.967  -4.086  17.370
  282   HE22  GLN  32          1HE2      GLN  32  -2.314  -3.373  18.935
  283    H    LYS  33           H        LYS  33  -4.984  -6.481  14.603
  284    HA   LYS  33           HA       LYS  33  -3.042  -6.966  12.385
  285    HB2  LYS  33           1HB      LYS  33  -6.094  -6.970  12.384
  286    HB3  LYS  33           2HB      LYS  33  -5.138  -6.747  10.917
  287    HG2  LYS  33           1HG      LYS  33  -4.036  -8.947  11.294
  288    HG3  LYS  33           2HG      LYS  33  -5.011  -9.182  12.757
  289    HD2  LYS  33           1HD      LYS  33  -7.083  -9.075  11.392
  290    HD3  LYS  33           2HD      LYS  33  -6.096  -8.875   9.924
  291    HE2  LYS  33           1HE      LYS  33  -4.993 -11.059  10.370
  292    HE3  LYS  33           2HE      LYS  33  -5.957 -11.253  11.840
  293    HZ1  LYS  33           3HZ      LYS  33  -6.930 -12.464   9.985
  294    HZ2  LYS  33           1HZ      LYS  33  -7.955 -11.282  10.449
  295    HZ3  LYS  33           2HZ      LYS  33  -7.064 -11.107   9.087
  296    H    PHE  34           H        PHE  34  -3.170  -5.244  10.730
  297    HA   PHE  34           HA       PHE  34  -3.781  -2.555  11.869
  298    HB2  PHE  34           1HB      PHE  34  -1.181  -3.436  10.566
  299    HB3  PHE  34           2HB      PHE  34  -1.595  -1.784  10.997
  300    HD1  PHE  34           1HD      PHE  34  -1.836  -1.111  13.406
  301    HD2  PHE  34           2HD      PHE  34  -0.452  -5.026  12.256
  302    HE1  PHE  34           1HE      PHE  34  -0.937  -1.473  15.697
  303    HE2  PHE  34           2HE      PHE  34   0.455  -5.382  14.536
  304    HZ   PHE  34           HZ       PHE  34   0.225  -3.600  16.259
  305    H    MET  35           H        MET  35  -4.892  -1.359  10.579
  306    HA   MET  35           HA       MET  35  -5.065  -1.833   7.643
  307    HB2  MET  35           1HB      MET  35  -6.580   0.180   9.355
  308    HB3  MET  35           2HB      MET  35  -6.865  -0.227   7.662
  309    HG2  MET  35           1HG      MET  35  -7.355  -2.623   8.475
  310    HG3  MET  35           2HG      MET  35  -7.321  -1.954  10.104
  311    HE1  MET  35           3HE      MET  35 -10.527  -1.193   6.873
  312    HE2  MET  35           1HE      MET  35  -8.854  -0.656   6.630
  313    HE3  MET  35           2HE      MET  35  -9.217  -2.388   6.798
  314    H    CYS  36           H        CYS  36  -4.582  -0.115   6.201
  315    HA   CYS  36           HA       CYS  36  -3.161   2.255   7.260
  316    HB2  CYS  36           1HB      CYS  36  -1.483   0.427   6.858
  317    HB3  CYS  36           2HB      CYS  36  -1.979   0.406   5.153
  318    HG   CYS  36           HG       CYS  36  -1.484   3.052   4.785
  319    H    GLU  37           H        GLU  37  -3.254   4.012   5.992
  320    HA   GLU  37           HA       GLU  37  -4.604   3.908   3.331
  321    HB2  GLU  37           1HB      GLU  37  -4.853   6.036   5.498
  322    HB3  GLU  37           2HB      GLU  37  -5.426   6.206   3.833
  323    HG2  GLU  37           1HG      GLU  37  -7.005   4.352   4.142
  324    HG3  GLU  37           2HG      GLU  37  -6.412   4.089   5.787
  325    H    VAL  38           H        VAL  38  -3.742   5.425   1.804
  326    HA   VAL  38           HA       VAL  38  -1.468   7.111   2.632
  327    HB   VAL  38           HB       VAL  38  -0.492   4.942   1.887
  328   HG11  VAL  38          1HG1      VAL  38  -2.125   4.407   0.073
  329   HG12  VAL  38          2HG1      VAL  38  -1.418   5.721  -0.897
  330   HG13  VAL  38          3HG1      VAL  38  -0.431   4.324  -0.442
  331   HG21  VAL  38          3HG2      VAL  38   1.249   5.922   0.453
  332   HG22  VAL  38          1HG2      VAL  38   0.233   7.318   0.105
  333   HG23  VAL  38          2HG2      VAL  38   0.824   7.041   1.758
  334    H    ARG  39           H        ARG  39  -1.147   8.905   1.504
  335    HA   ARG  39           HA       ARG  39  -2.901   9.641  -0.798
  336    HB2  ARG  39           1HB      ARG  39  -2.511  11.136   1.837
  337    HB3  ARG  39           2HB      ARG  39  -3.229  11.865   0.397
  338    HG2  ARG  39           1HG      ARG  39  -5.076  10.282   0.418
  339    HG3  ARG  39           2HG      ARG  39  -4.363   9.398   1.779
  340    HD2  ARG  39           1HD      ARG  39  -4.575  11.410   3.217
  341    HD3  ARG  39           2HD      ARG  39  -5.272  12.301   1.862
  342    HE   ARG  39           HE       ARG  39  -7.301  11.305   2.241
  343   HH11  ARG  39          1HH1      ARG  39  -4.935   9.308   4.030
  344   HH12  ARG  39          2HH1      ARG  39  -6.245   8.288   4.635
  345   HH21  ARG  39          1HH2      ARG  39  -8.830   9.880   3.183
  346   HH22  ARG  39          2HH2      ARG  39  -8.219   8.576   4.198
  347    H    VAL  40           H        VAL  40  -2.139  11.551  -1.912
  348    HA   VAL  40           HA       VAL  40   0.667  12.427  -1.484
  349    HB   VAL  40           HB       VAL  40  -0.376  11.498  -4.197
  350   HG11  VAL  40          1HG1      VAL  40   1.175  13.389  -4.432
  351   HG12  VAL  40          2HG1      VAL  40   2.354  12.590  -3.367
  352   HG13  VAL  40          3HG1      VAL  40   1.963  11.906  -4.958
  353   HG21  VAL  40          3HG2      VAL  40   1.393   9.755  -4.094
  354   HG22  VAL  40          1HG2      VAL  40   1.787  10.250  -2.438
  355   HG23  VAL  40          2HG2      VAL  40   0.207   9.528  -2.807
  356    H    GLU  41           H        GLU  41   0.907  14.586  -1.876
  357    HA   GLU  41           HA       GLU  41  -1.362  16.264  -1.925
  358    HB2  GLU  41           1HB      GLU  41   0.856  16.821  -0.964
  359    HB3  GLU  41           2HB      GLU  41   1.525  16.972  -2.595
  360    HG2  GLU  41           1HG      GLU  41  -0.032  18.836  -3.072
  361    HG3  GLU  41           2HG      GLU  41  -0.791  18.628  -1.491
  362    H    GLY  42           H        GLY  42  -2.563  17.158  -3.487
  363    HA2  GLY  42           1HA      GLY  42  -3.072  18.093  -5.590
  364    HA3  GLY  42           2HA      GLY  42  -1.646  17.312  -6.311
  365    H    PHE  43           H        PHE  43  -3.169  14.926  -4.549
  366    HA   PHE  43           HA       PHE  43  -4.991  14.110  -6.785
  367    HB2  PHE  43           1HB      PHE  43  -3.239  12.354  -5.029
  368    HB3  PHE  43           2HB      PHE  43  -4.374  11.792  -6.244
  369    HD1  PHE  43           1HD      PHE  43  -3.894  12.067  -8.672
  370    HD2  PHE  43           2HD      PHE  43  -1.098  13.395  -5.671
  371    HE1  PHE  43           1HE      PHE  43  -2.132  12.288 -10.405
  372    HE2  PHE  43           2HE      PHE  43   0.647  13.632  -7.403
  373    HZ   PHE  43           HZ       PHE  43   0.144  13.068  -9.778
  374    H    ASN  44           H        ASN  44  -7.038  13.735  -6.249
  375    HA   ASN  44           HA       ASN  44  -7.947  14.245  -3.545
  376    HB2  ASN  44           1HB      ASN  44  -9.069  15.079  -5.587
  377    HB3  ASN  44           2HB      ASN  44  -9.451  13.421  -6.062
  378   HD21  ASN  44          2HD2      ASN  44 -10.020  15.873  -3.474
  379   HD22  ASN  44          1HD2      ASN  44 -11.577  15.216  -3.004
  380    H    TYR  45           H        TYR  45  -7.254  11.313  -5.307
  381    HA   TYR  45           HA       TYR  45  -8.962   9.515  -3.832
  382    HB2  TYR  45           1HB      TYR  45  -8.052   9.158  -6.123
  383    HB3  TYR  45           2HB      TYR  45  -6.440   8.978  -5.435
  384    HD1  TYR  45           1HD      TYR  45  -9.891   7.533  -5.452
  385    HD2  TYR  45           2HD      TYR  45  -5.718   6.836  -4.626
  386    HE1  TYR  45           1HE      TYR  45 -10.359   5.109  -5.159
  387    HE2  TYR  45           2HE      TYR  45  -6.184   4.406  -4.318
  388    HH   TYR  45           HH       TYR  45  -9.478   3.037  -4.708
  389    H    ALA  46           H        ALA  46  -8.320   7.849  -2.386
  390    HA   ALA  46           HA       ALA  46  -5.695   8.066  -1.024
  391    HB1  ALA  46           1HB      ALA  46  -7.331   9.281   0.392
  392    HB2  ALA  46           2HB      ALA  46  -8.371   7.845   0.429
  393    HB3  ALA  46           3HB      ALA  46  -6.758   7.789   1.170
  394    H    GLY  47           H        GLY  47  -4.734   6.173  -1.221
  395    HA2  GLY  47           1HA      GLY  47  -6.242   3.705  -1.902
  396    HA3  GLY  47           2HA      GLY  47  -4.479   3.911  -1.949
  397    H    MET  48           H        MET  48  -6.107   1.808  -0.655
  398    HA   MET  48           HA       MET  48  -5.019   2.020   2.087
  399    HB2  MET  48           1HB      MET  48  -7.168   1.506   3.068
  400    HB3  MET  48           2HB      MET  48  -7.230   3.034   2.194
  401    HG2  MET  48           1HG      MET  48  -8.339   1.920   0.293
  402    HG3  MET  48           2HG      MET  48  -8.277   0.373   1.128
  403    HE1  MET  48           3HE      MET  48 -10.867   0.727   3.988
  404    HE2  MET  48           1HE      MET  48  -9.732  -0.333   3.126
  405    HE3  MET  48           2HE      MET  48  -9.122   0.994   4.143
  406    H    GLY  49           H        GLY  49  -4.932   0.178   3.303
  407    HA2  GLY  49           1HA      GLY  49  -5.391  -2.486   2.093
  408    HA3  GLY  49           2HA      GLY  49  -3.721  -2.026   2.393
  409    H    ASN  50           H        ASN  50  -4.444  -4.195   3.641
  410    HA   ASN  50           HA       ASN  50  -4.200  -3.458   6.457
  411    HB2  ASN  50           1HB      ASN  50  -6.584  -3.612   6.328
  412    HB3  ASN  50           2HB      ASN  50  -6.509  -5.077   5.346
  413   HD21  ASN  50          2HD2      ASN  50  -6.497  -7.066   6.363
  414   HD22  ASN  50          1HD2      ASN  50  -6.463  -7.243   8.111
  415    H    SER  51           H        SER  51  -3.425  -5.185   7.758
  416    HA   SER  51           HA       SER  51  -2.744  -7.789   6.727
  417    HB2  SER  51           1HB      SER  51  -1.042  -6.242   5.542
  418    HB3  SER  51           2HB      SER  51  -0.299  -6.041   7.132
  419    HG   SER  51           HG       SER  51   0.164  -7.932   5.460
  420    H    THR  52           H        THR  52  -0.818  -8.713   8.266
  421    HA   THR  52           HA       THR  52  -1.765  -8.546  11.051
  422    HB   THR  52           HB       THR  52   0.008 -10.259  11.429
  423    HG1  THR  52           1HG      THR  52   1.057 -11.047   9.540
  424   HG21  THR  52          3HG2      THR  52  -1.051 -12.059  10.178
  425   HG22  THR  52          1HG2      THR  52  -2.291 -10.928  10.745
  426   HG23  THR  52          2HG2      THR  52  -1.783 -10.905   9.041
  427    H    ASN  53           H        ASN  53   0.451  -6.788   9.206
  428    HA   ASN  53           HA       ASN  53   1.798  -5.681  11.583
  429    HB2  ASN  53           1HB      ASN  53   4.008  -6.141  10.745
  430    HB3  ASN  53           2HB      ASN  53   3.130  -7.662  10.862
  431   HD21  ASN  53          2HD2      ASN  53   2.391  -8.696   8.826
  432   HD22  ASN  53          1HD2      ASN  53   3.157  -8.237   7.316
  433    H    LYS  54           H        LYS  54   2.820  -3.692  11.262
  434    HA   LYS  54           HA       LYS  54   1.388  -1.906   9.579
  435    HB2  LYS  54           1HB      LYS  54   3.952  -1.581  11.201
  436    HB3  LYS  54           2HB      LYS  54   3.090  -0.249  10.436
  437    HG2  LYS  54           1HG      LYS  54   1.035  -0.857  11.761
  438    HG3  LYS  54           2HG      LYS  54   1.980  -2.095  12.602
  439    HD2  LYS  54           1HD      LYS  54   3.559  -0.346  13.400
  440    HD3  LYS  54           2HD      LYS  54   2.585   0.897  12.584
  441    HE2  LYS  54           1HE      LYS  54   0.621   0.264  13.973
  442    HE3  LYS  54           2HE      LYS  54   1.582  -0.986  14.772
  443    HZ1  LYS  54           3HZ      LYS  54   1.498   1.044  16.098
  444    HZ2  LYS  54           1HZ      LYS  54   3.037   0.767  15.629
  445    HZ3  LYS  54           2HZ      LYS  54   2.153   1.928  14.890
  446    H    LYS  55           H        LYS  55   4.439  -3.538   8.911
  447    HA   LYS  55           HA       LYS  55   5.280  -1.703   6.795
  448    HB2  LYS  55           1HB      LYS  55   6.172  -4.542   7.488
  449    HB3  LYS  55           2HB      LYS  55   6.822  -3.581   6.177
  450    HG2  LYS  55           1HG      LYS  55   8.383  -3.236   7.819
  451    HG3  LYS  55           2HG      LYS  55   7.412  -1.776   7.882
  452    HD2  LYS  55           1HD      LYS  55   8.012  -2.502  10.108
  453    HD3  LYS  55           2HD      LYS  55   6.266  -2.647   9.929
  454    HE2  LYS  55           1HE      LYS  55   6.477  -5.089   9.567
  455    HE3  LYS  55           2HE      LYS  55   8.239  -4.953   9.551
  456    HZ1  LYS  55           3HZ      LYS  55   7.434  -5.708  11.705
  457    HZ2  LYS  55           1HZ      LYS  55   8.164  -4.260  11.870
  458    HZ3  LYS  55           2HZ      LYS  55   6.532  -4.359  11.909
  459    H    ASP  56           H        ASP  56   3.865  -5.018   6.688
  460    HA   ASP  56           HA       ASP  56   3.473  -4.964   3.847
  461    HB2  ASP  56           1HB      ASP  56   3.644  -6.996   5.289
  462    HB3  ASP  56           2HB      ASP  56   2.044  -6.639   5.930
  463    H    ALA  57           H        ALA  57   1.345  -3.946   6.542
  464    HA   ALA  57           HA       ALA  57  -0.989  -3.435   4.980
  465    HB1  ALA  57           1HB      ALA  57  -0.909  -3.467   7.465
  466    HB2  ALA  57           2HB      ALA  57   0.022  -1.952   7.451
  467    HB3  ALA  57           3HB      ALA  57  -1.647  -1.985   6.839
  468    H    GLN  58           H        GLN  58   1.857  -1.309   5.596
  469    HA   GLN  58           HA       GLN  58   0.894   0.906   3.995
  470    HB2  GLN  58           1HB      GLN  58   3.670   0.035   4.883
  471    HB3  GLN  58           2HB      GLN  58   3.389   1.446   3.865
  472    HG2  GLN  58           1HG      GLN  58   2.118   2.567   5.560
  473    HG3  GLN  58           2HG      GLN  58   2.046   1.122   6.569
  474   HE21  GLN  58          2HE2      GLN  58   3.930   0.497   7.758
  475   HE22  GLN  58          1HE2      GLN  58   5.285   1.615   7.971
  476    H    SER  59           H        SER  59   2.983  -1.947   3.142
  477    HA   SER  59           HA       SER  59   3.316  -1.250   0.409
  478    HB2  SER  59           1HB      SER  59   3.047  -4.009   1.663
  479    HB3  SER  59           2HB      SER  59   3.664  -3.668   0.042
  480    HG   SER  59           HG       SER  59   5.351  -3.909   1.623
  481    H    ASN  60           H        ASN  60   0.568  -2.909   1.988
  482    HA   ASN  60           HA       ASN  60  -0.796  -3.449  -0.515
  483    HB2  ASN  60           1HB      ASN  60  -1.786  -3.466   2.359
  484    HB3  ASN  60           2HB      ASN  60  -2.710  -4.049   0.973
  485   HD21  ASN  60          2HD2      ASN  60  -1.975  -5.709   3.261
  486   HD22  ASN  60          1HD2      ASN  60  -0.745  -6.839   2.739
  487    H    ALA  61           H        ALA  61  -1.033  -0.791   1.888
  488    HA   ALA  61           HA       ALA  61  -3.110   0.679   0.542
  489    HB1  ALA  61           1HB      ALA  61  -2.362   1.077   2.892
  490    HB2  ALA  61           2HB      ALA  61  -0.804   1.683   2.277
  491    HB3  ALA  61           3HB      ALA  61  -2.304   2.557   1.911
  492    H    ALA  62           H        ALA  62   0.462   0.800   0.213
  493    HA   ALA  62           HA       ALA  62   0.555   2.816  -1.790
  494    HB1  ALA  62           1HB      ALA  62   2.483   2.042  -0.449
  495    HB2  ALA  62           2HB      ALA  62   2.446   0.474  -1.279
  496    HB3  ALA  62           3HB      ALA  62   2.827   1.952  -2.190
  497    H    ARG  63           H        ARG  63   0.426  -0.780  -2.183
  498    HA   ARG  63           HA       ARG  63   0.394  -0.797  -4.978
  499    HB2  ARG  63           1HB      ARG  63   0.606  -2.823  -3.477
  500    HB3  ARG  63           2HB      ARG  63  -1.106  -2.698  -3.114
  501    HG2  ARG  63           1HG      ARG  63  -0.722  -4.416  -4.794
  502    HG3  ARG  63           2HG      ARG  63  -1.676  -3.108  -5.479
  503    HD2  ARG  63           1HD      ARG  63   0.554  -2.203  -6.464
  504    HD3  ARG  63           2HD      ARG  63   1.269  -3.726  -5.948
  505    HE   ARG  63           HE       ARG  63   0.174  -4.823  -7.668
  506   HH11  ARG  63          1HH1      ARG  63  -1.326  -1.597  -7.422
  507   HH12  ARG  63          2HH1      ARG  63  -1.939  -1.696  -9.047
  508   HH21  ARG  63          1HH2      ARG  63  -0.769  -4.893  -9.687
  509   HH22  ARG  63          2HH2      ARG  63  -1.711  -3.558 -10.268
  510    H    ASP  64           H        ASP  64  -2.347  -0.315  -2.773
  511    HA   ASP  64           HA       ASP  64  -4.375  -0.286  -4.811
  512    HB2  ASP  64           1HB      ASP  64  -4.660  -0.837  -2.389
  513    HB3  ASP  64           2HB      ASP  64  -4.411   0.866  -2.002
  514    H    PHE  65           H        PHE  65  -2.427   2.349  -3.299
  515    HA   PHE  65           HA       PHE  65  -3.809   4.447  -4.766
  516    HB2  PHE  65           1HB      PHE  65  -2.541   4.773  -2.640
  517    HB3  PHE  65           2HB      PHE  65  -1.040   4.516  -3.516
  518    HD1  PHE  65           1HD      PHE  65  -3.923   6.785  -2.999
  519    HD2  PHE  65           2HD      PHE  65  -0.200   6.246  -5.087
  520    HE1  PHE  65           1HE      PHE  65  -3.964   9.169  -3.679
  521    HE2  PHE  65           2HE      PHE  65  -0.226   8.649  -5.729
  522    HZ   PHE  65           HZ       PHE  65  -2.121  10.097  -5.063
  523    H    VAL  66           H        VAL  66  -0.832   2.548  -5.390
  524    HA   VAL  66           HA       VAL  66  -0.158   3.844  -7.863
  525    HB   VAL  66           HB       VAL  66   0.377   1.008  -6.907
  526   HG11  VAL  66          1HG1      VAL  66   0.585   0.911  -9.332
  527   HG12  VAL  66          2HG1      VAL  66   1.485   2.446  -9.360
  528   HG13  VAL  66          3HG1      VAL  66   2.207   0.993  -8.640
  529   HG21  VAL  66          3HG2      VAL  66   2.583   1.879  -6.379
  530   HG22  VAL  66          1HG2      VAL  66   2.190   3.449  -7.127
  531   HG23  VAL  66          2HG2      VAL  66   1.375   2.939  -5.644
  532    H    ASN  67           H        ASN  67  -2.457   1.249  -7.128
  533    HA   ASN  67           HA       ASN  67  -3.196   0.626  -9.831
  534    HB2  ASN  67           1HB      ASN  67  -4.118  -0.981  -8.582
  535    HB3  ASN  67           2HB      ASN  67  -4.110  -0.009  -7.125
  536   HD21  ASN  67          2HD2      ASN  67  -5.916   1.290  -6.580
  537   HD22  ASN  67          1HD2      ASN  67  -7.462   1.009  -7.336
  538    H    TYR  68           H        TYR  68  -4.416   3.198  -7.612
  539    HA   TYR  68           HA       TYR  68  -6.253   4.339  -9.527
  540    HB2  TYR  68           1HB      TYR  68  -6.640   4.975  -7.355
  541    HB3  TYR  68           2HB      TYR  68  -4.955   5.242  -6.974
  542    HD1  TYR  68           2HD      TYR  68  -7.858   6.685  -8.838
  543    HD2  TYR  68           1HD      TYR  68  -3.933   7.378  -7.187
  544    HE1  TYR  68           2HE      TYR  68  -8.136   9.128  -9.206
  545    HE2  TYR  68           1HE      TYR  68  -4.199   9.814  -7.565
  546    HH   TYR  68           HH       TYR  68  -7.211  11.217  -8.941
  547    H    LEU  69           H        LEU  69  -2.793   5.108  -8.815
  548    HA   LEU  69           HA       LEU  69  -2.534   7.175 -10.749
  549    HB2  LEU  69           1HB      LEU  69  -0.444   5.214  -9.752
  550    HB3  LEU  69           2HB      LEU  69  -0.128   6.664 -10.698
  551    HG   LEU  69           HG       LEU  69  -1.345   6.705  -7.915
  552   HD11  LEU  69          1HD1      LEU  69   0.955   5.870  -7.876
  553   HD12  LEU  69          2HD1      LEU  69   1.490   7.204  -8.912
  554   HD13  LEU  69          3HD1      LEU  69   0.929   7.527  -7.265
  555   HD21  LEU  69          3HD2      LEU  69  -0.762   9.144  -8.044
  556   HD22  LEU  69          1HD2      LEU  69  -0.384   8.931  -9.766
  557   HD23  LEU  69          2HD2      LEU  69  -2.037   8.672  -9.166
  558    H    VAL  70           H        VAL  70  -2.213   3.665 -11.244
  559    HA   VAL  70           HA       VAL  70  -1.536   3.847 -14.043
  560    HB   VAL  70           HB       VAL  70  -2.874   1.630 -12.457
  561   HG11  VAL  70          1HG1      VAL  70  -3.543   1.310 -14.804
  562   HG12  VAL  70          2HG1      VAL  70  -1.862   1.536 -15.336
  563   HG13  VAL  70          3HG1      VAL  70  -2.324   0.120 -14.358
  564   HG21  VAL  70          3HG2      VAL  70  -0.698   0.543 -12.582
  565   HG22  VAL  70          1HG2      VAL  70  -0.052   1.862 -13.586
  566   HG23  VAL  70          2HG2      VAL  70  -0.496   2.161 -11.899
  567    H    ARG  71           H        ARG  71  -4.690   3.565 -12.373
  568    HA   ARG  71           HA       ARG  71  -6.291   3.487 -14.745
  569    HB2  ARG  71           1HB      ARG  71  -6.936   4.275 -11.887
  570    HB3  ARG  71           2HB      ARG  71  -8.154   4.237 -13.165
  571    HG2  ARG  71           1HG      ARG  71  -7.807   1.877 -13.571
  572    HG3  ARG  71           2HG      ARG  71  -6.428   1.827 -12.470
  573    HD2  ARG  71           1HD      ARG  71  -7.970   2.544 -10.601
  574    HD3  ARG  71           2HD      ARG  71  -9.334   2.372 -11.710
  575    HE   ARG  71           HE       ARG  71  -7.705   0.266 -10.450
  576   HH11  ARG  71          1HH1      ARG  71 -10.099   0.821 -13.007
  577   HH12  ARG  71          2HH1      ARG  71 -10.547  -0.859 -13.054
  578   HH21  ARG  71          1HH2      ARG  71  -8.318  -1.824 -10.556
  579   HH22  ARG  71          2HH2      ARG  71  -9.542  -2.350 -11.678
  580    H    ILE  72           H        ILE  72  -4.920   6.268 -13.059
  581    HA   ILE  72           HA       ILE  72  -6.223   8.104 -15.033
  582    HB   ILE  72           HB       ILE  72  -5.437   9.941 -13.732
  583   HG12  ILE  72          1HG1      ILE  72  -4.284   8.072 -11.651
  584   HG13  ILE  72          2HG1      ILE  72  -3.277   8.759 -12.919
  585   HG21  ILE  72          1HG2      ILE  72  -7.570   8.789 -13.140
  586   HG22  ILE  72          2HG2      ILE  72  -6.708   7.862 -11.895
  587   HG23  ILE  72          3HG2      ILE  72  -6.838   9.626 -11.767
  588   HD11  ILE  72          3HD1      ILE  72  -3.096  10.082 -10.894
  589   HD12  ILE  72          1HD1      ILE  72  -3.886  11.044 -12.160
  590   HD13  ILE  72          2HD1      ILE  72  -4.848  10.337 -10.844
  591    H    ASN  73           H        ASN  73  -3.689   6.157 -15.311
  592    HA   ASN  73           HA       ASN  73  -2.003   5.983 -16.720
  593    HB2  ASN  73           1HB      ASN  73  -3.791   6.941 -18.246
  594    HB3  ASN  73           2HB      ASN  73  -2.980   8.500 -18.106
  595   HD21  ASN  73          2HD2      ASN  73  -2.244   8.707 -20.245
  596   HD22  ASN  73          1HD2      ASN  73  -1.132   7.565 -20.981
  597    H    GLU  74           H        GLU  74  -1.606   7.688 -14.284
  598    HA   GLU  74           HA       GLU  74   0.754   9.337 -15.039
  599    HB2  GLU  74           1HB      GLU  74  -0.721   8.947 -12.409
  600    HB3  GLU  74           2HB      GLU  74   0.723   9.932 -12.605
  601    HG2  GLU  74           1HG      GLU  74  -1.933  10.416 -13.997
  602    HG3  GLU  74           2HG      GLU  74  -1.286  11.317 -12.630
  603    H    VAL  75           H        VAL  75   0.169   6.139 -14.272
  604    HA   VAL  75           HA       VAL  75   3.082   5.619 -13.988
  605    HB   VAL  75           HB       VAL  75   0.886   4.238 -12.365
  606   HG11  VAL  75          1HG1      VAL  75   2.513   2.540 -13.127
  607   HG12  VAL  75          2HG1      VAL  75   3.860   3.594 -12.600
  608   HG13  VAL  75          3HG1      VAL  75   2.750   2.867 -11.417
  609   HG21  VAL  75          3HG2      VAL  75   2.029   4.953 -10.385
  610   HG22  VAL  75          1HG2      VAL  75   3.421   5.523 -11.315
  611   HG23  VAL  75          2HG2      VAL  75   1.891   6.407 -11.393
  612    H    LYS  76           H        LYS  76   3.740   3.991 -15.388
  613    HA   LYS  76           HA       LYS  76   1.722   2.694 -17.138
  614    HB2  LYS  76           1HB      LYS  76   4.750   2.379 -17.109
  615    HB3  LYS  76           2HB      LYS  76   3.629   1.775 -18.326
  616    HG2  LYS  76           1HG      LYS  76   2.966   4.109 -18.895
  617    HG3  LYS  76           2HG      LYS  76   4.159   4.720 -17.733
  618    HD2  LYS  76           1HD      LYS  76   5.974   3.592 -18.993
  619    HD3  LYS  76           2HD      LYS  76   4.782   2.987 -20.165
  620    HE2  LYS  76           1HE      LYS  76   4.144   5.331 -20.715
  621    HE3  LYS  76           2HE      LYS  76   5.336   5.931 -19.555
  622    HZ1  LYS  76           3HZ      LYS  76   6.215   5.940 -21.812
  623    HZ2  LYS  76           1HZ      LYS  76   7.075   4.891 -20.905
  624    HZ3  LYS  76           2HZ      LYS  76   5.972   4.335 -21.977
  625    H    SER  77           H        SER  77   0.901   0.679 -16.714
  626    HA   SER  77           HA       SER  77   1.272  -0.628 -14.249
  627    HB2  SER  77           1HB      SER  77   0.091  -2.534 -15.342
  628    HB3  SER  77           2HB      SER  77  -0.706  -0.965 -15.535
  629    HG   SER  77           HG       SER  77  -0.616  -2.166 -17.523
  630    H    GLU  78           H        GLU  78   3.002  -1.206 -17.302
  631    HA   GLU  78           HA       GLU  78   4.241  -3.642 -16.592
  632    HB2  GLU  78           1HB      GLU  78   5.668  -3.349 -18.467
  633    HB3  GLU  78           2HB      GLU  78   4.025  -2.838 -18.873
  634    HG2  GLU  78           1HG      GLU  78   4.708  -0.473 -18.411
  635    HG3  GLU  78           2HG      GLU  78   6.358  -1.037 -18.146
  636    H    GLU  79           H        GLU  79   4.953  -0.519 -15.337
  637    HA   GLU  79           HA       GLU  79   7.690  -1.236 -14.456
  638    HB2  GLU  79           1HB      GLU  79   5.942   1.218 -14.019
  639    HB3  GLU  79           2HB      GLU  79   7.574   1.035 -13.411
  640    HG2  GLU  79           1HG      GLU  79   6.822   1.001 -16.369
  641    HG3  GLU  79           2HG      GLU  79   7.422   2.400 -15.490
  642    H    VAL  80           H        VAL  80   4.487  -1.672 -13.266
  643    HA   VAL  80           HA       VAL  80   4.995  -0.983 -10.504
  644    HB   VAL  80           HB       VAL  80   2.630  -2.476 -11.689
  645   HG11  VAL  80          1HG1      VAL  80   2.727  -2.902  -9.288
  646   HG12  VAL  80          2HG1      VAL  80   3.049  -1.188  -8.961
  647   HG13  VAL  80          3HG1      VAL  80   1.469  -1.701  -9.594
  648   HG21  VAL  80          3HG2      VAL  80   1.487  -0.287 -11.542
  649   HG22  VAL  80          1HG2      VAL  80   2.997   0.469 -10.983
  650   HG23  VAL  80          2HG2      VAL  80   2.876  -0.188 -12.623
  651    HA   PRO  81           HA       PRO  81   6.544  -5.145  -9.515
  652    HB2  PRO  81           1HB      PRO  81   7.511  -4.703  -7.024
  653    HB3  PRO  81           2HB      PRO  81   8.288  -3.993  -8.476
  654    HG2  PRO  81           1HG      PRO  81   6.321  -2.678  -6.579
  655    HG3  PRO  81           2HG      PRO  81   7.883  -2.035  -7.180
  656    HD2  PRO  81           1HD      PRO  81   5.449  -1.403  -8.317
  657    HD3  PRO  81           2HD      PRO  81   6.957  -1.492  -9.264
  658    H    ALA  82           H        ALA  82   5.841  -6.917  -8.301
  659    HA   ALA  82           HA       ALA  82   3.236  -6.644  -6.908
  660    HB1  ALA  82           1HB      ALA  82   3.433  -8.281  -8.741
  661    HB2  ALA  82           2HB      ALA  82   4.773  -9.088  -7.895
  662    HB3  ALA  82           3HB      ALA  82   3.143  -9.095  -7.191
  663    H    VAL  83           H        VAL  83   3.055  -6.829  -4.707
  664    HA   VAL  83           HA       VAL  83   5.215  -6.922  -2.975
  665    HB   VAL  83           HB       VAL  83   2.755  -6.104  -2.763
  666   HG11  VAL  83          1HG1      VAL  83   1.646  -8.322  -2.972
  667   HG12  VAL  83          2HG1      VAL  83   2.359  -8.802  -1.413
  668   HG13  VAL  83          3HG1      VAL  83   1.217  -7.451  -1.491
  669   HG21  VAL  83          3HG2      VAL  83   2.955  -5.980  -0.368
  670   HG22  VAL  83          1HG2      VAL  83   4.198  -7.260  -0.375
  671   HG23  VAL  83          2HG2      VAL  83   4.509  -5.701  -1.182
  672    H    GLY  84           H        GLY  84   3.650  -9.606  -4.474
  673    HA2  GLY  84           1HA      GLY  84   5.578 -11.500  -3.511
  674    HA3  GLY  84           2HA      GLY  84   4.009 -11.806  -2.782
  675    H    ILE  85           H        ILE  85   5.463 -13.480  -4.678
  676    HA   ILE  85           HA       ILE  85   3.466 -13.661  -6.904
  677    HB   ILE  85           HB       ILE  85   6.468 -14.095  -7.172
  678   HG12  ILE  85          1HG1      ILE  85   4.679 -11.856  -8.227
  679   HG13  ILE  85          2HG1      ILE  85   5.945 -11.697  -7.011
  680   HG21  ILE  85          1HG2      ILE  85   5.084 -15.629  -8.584
  681   HG22  ILE  85          2HG2      ILE  85   4.243 -14.221  -9.268
  682   HG23  ILE  85          3HG2      ILE  85   5.977 -14.482  -9.559
  683   HD11  ILE  85          3HD1      ILE  85   6.812 -10.831  -9.045
  684   HD12  ILE  85          1HD1      ILE  85   7.647 -12.365  -8.725
  685   HD13  ILE  85          2HD1      ILE  85   6.360 -12.275  -9.958
  686    H    VAL  86           H        VAL  86   2.469 -15.566  -6.924
  687    HA   VAL  86           HA       VAL  86   3.768 -18.054  -5.987
  688    HB   VAL  86           HB       VAL  86   1.073 -17.109  -4.906
  689   HG11  VAL  86          1HG1      VAL  86   1.173 -19.567  -5.163
  690   HG12  VAL  86          2HG1      VAL  86   2.697 -19.609  -4.249
  691   HG13  VAL  86          3HG1      VAL  86   1.186 -19.114  -3.461
  692   HG21  VAL  86          3HG2      VAL  86   2.146 -17.089  -2.667
  693   HG22  VAL  86          1HG2      VAL  86   3.724 -17.378  -3.426
  694   HG23  VAL  86          2HG2      VAL  86   2.830 -15.868  -3.736
  695    HA   PRO  87           HA       PRO  87   1.504 -19.130  -9.710
  696    HB2  PRO  87           1HB      PRO  87   1.961 -21.827  -9.871
  697    HB3  PRO  87           2HB      PRO  87   3.229 -20.598 -10.166
  698    HG2  PRO  87           1HG      PRO  87   2.670 -22.110  -7.592
  699    HG3  PRO  87           2HG      PRO  87   4.243 -21.896  -8.429
  700    HD2  PRO  87           1HD      PRO  87   3.499 -20.302  -6.358
  701    HD3  PRO  87           2HD      PRO  87   4.400 -19.637  -7.752
  702    HA   PRO  88           HA       PRO  88  -2.565 -20.301  -8.494
  703    HB2  PRO  88           1HB      PRO  88  -2.698 -22.063 -10.944
  704    HB3  PRO  88           2HB      PRO  88  -3.882 -20.861 -10.345
  705    HG2  PRO  88           1HG      PRO  88  -2.201 -20.221 -12.365
  706    HG3  PRO  88           2HG      PRO  88  -2.492 -19.043 -11.043
  707    HD2  PRO  88           1HD      PRO  88  -0.147 -20.932 -11.393
  708    HD3  PRO  88           2HD      PRO  88  -0.158 -19.197 -10.951
  709    HA   PRO  89           HA       PRO  89  -1.752 -24.359  -6.592
  710    HB2  PRO  89           1HB      PRO  89  -3.424 -24.224  -4.467
  711    HB3  PRO  89           2HB      PRO  89  -1.989 -23.160  -4.596
  712    HG2  PRO  89           1HG      PRO  89  -4.863 -22.502  -5.334
  713    HG3  PRO  89           2HG      PRO  89  -3.740 -21.549  -4.311
  714    HD2  PRO  89           1HD      PRO  89  -4.105 -21.047  -6.987
  715    HD3  PRO  89           2HD      PRO  89  -2.530 -20.797  -6.175
  716    H    SER  90           H        SER  90  -2.874 -26.389  -6.238
  717    HA   SER  90           HA       SER  90  -5.015 -26.956  -8.090
  718    HB2  SER  90           1HB      SER  90  -3.874 -28.702  -5.880
  719    HB3  SER  90           2HB      SER  90  -4.806 -29.241  -7.285
  720    HG   SER  90           HG       SER  90  -2.543 -29.522  -7.609
  721    H    GLY  91           H        GLY  91  -5.290 -25.531  -5.073
  722    HA2  GLY  91           1HA      GLY  91  -7.074 -25.169  -3.626
  723    HA3  GLY  91           2HA      GLY  91  -8.111 -25.741  -4.934
  724    HA   PRO  92           HA       PRO  92  -8.601 -29.116  -1.879
  725    HB2  PRO  92           1HB      PRO  92 -10.933 -30.180  -2.755
  726    HB3  PRO  92           2HB      PRO  92 -10.872 -28.585  -1.942
  727    HG2  PRO  92           1HG      PRO  92 -10.922 -29.148  -4.928
  728    HG3  PRO  92           2HG      PRO  92 -11.964 -28.022  -4.001
  729    HD2  PRO  92           1HD      PRO  92  -9.701 -27.209  -5.317
  730    HD3  PRO  92           2HD      PRO  92 -10.230 -26.448  -3.784
  731    H    SER  93           H        SER  93  -8.021 -29.322  -5.331
  732    HA   SER  93           HA       SER  93  -8.199 -32.219  -5.511
  733    HB2  SER  93           1HB      SER  93  -7.066 -30.202  -7.475
  734    HB3  SER  93           2HB      SER  93  -7.486 -31.886  -7.811
  735    HG   SER  93           HG       SER  93  -9.155 -30.421  -8.451
  736    H    SER  94           H        SER  94  -5.934 -30.582  -3.858
  737    HA   SER  94           HA       SER  94  -3.473 -31.832  -4.846
  738    HB2  SER  94           1HB      SER  94  -2.498 -30.818  -2.807
  739    HB3  SER  94           2HB      SER  94  -3.374 -29.652  -3.806
  740    HG   SER  94           HG       SER  94  -3.894 -29.423  -1.572
  741    H    GLY  95           H        GLY  95  -6.074 -33.005  -2.973
  742    HA2  GLY  95           1HA      GLY  95  -4.951 -35.590  -2.556
  743    HA3  GLY  95           2HA      GLY  95  -4.817 -34.689  -1.047
  Start of MODEL   10
    1    H1   GLY  -3           1H       GLY  -3  20.160  -5.420  10.833
    2    H2   GLY  -3           2H       GLY  -3  18.925  -6.264  10.165
    3    H3   GLY  -3           3H       GLY  -3  20.132  -5.686   9.216
    4    HA2  GLY  -3           1HA      GLY  -3  19.502  -3.412   9.688
    5    HA3  GLY  -3           2HA      GLY  -3  18.177  -4.324   8.943
    6    H    SER  -2           H        SER  -2  18.061  -1.928  10.701
    7    HA   SER  -2           HA       SER  -2  16.996  -2.864  13.279
    8    HB2  SER  -2           1HB      SER  -2  16.812  -0.415  13.702
    9    HB3  SER  -2           2HB      SER  -2  18.440  -0.956  13.268
   10    HG   SER  -2           HG       SER  -2  17.820   0.969  12.138
   11    H    SER  -1           H        SER  -1  15.577  -2.358  10.206
   12    HA   SER  -1           HA       SER  -1  12.868  -2.669  11.223
   13    HB2  SER  -1           1HB      SER  -1  13.329  -0.191  11.488
   14    HB3  SER  -1           2HB      SER  -1  13.535  -0.105   9.734
   15    HG   SER  -1           HG       SER  -1  11.421   0.439  10.340
   16    H    GLY   0           H        GLY   0  11.381  -3.201   9.560
   17    HA2  GLY   0           1HA      GLY   0  12.536  -4.467   7.187
   18    HA3  GLY   0           2HA      GLY   0  10.838  -4.487   7.686
   19    H    SER   1           H        SER   1  11.251  -4.325   5.103
   20    HA   SER   1           HA       SER   1  10.230  -1.729   4.258
   21    HB2  SER   1           1HB      SER   1  12.017  -1.236   2.662
   22    HB3  SER   1           2HB      SER   1  12.627  -1.213   4.315
   23    HG   SER   1           HG       SER   1  13.542  -3.270   3.976
   24    H    SER   2           H        SER   2  10.066  -1.781   1.661
   25    HA   SER   2           HA       SER   2   9.490  -4.440   0.568
   26    HB2  SER   2           1HB      SER   2   7.577  -4.120   2.057
   27    HB3  SER   2           2HB      SER   2   7.267  -2.527   1.354
   28    HG   SER   2           HG       SER   2   5.928  -4.114   0.497
   29    H    GLY   3           H        GLY   3   9.127  -4.430  -1.638
   30    HA2  GLY   3           1HA      GLY   3  10.391  -2.284  -3.054
   31    HA3  GLY   3           2HA      GLY   3   9.645  -3.731  -3.770
   32    H    ILE   4           H        ILE   4   6.933  -3.174  -2.780
   33    HA   ILE   4           HA       ILE   4   6.159  -1.183  -4.800
   34    HB   ILE   4           HB       ILE   4   4.874  -3.261  -4.499
   35   HG12  ILE   4          1HG1      ILE   4   2.616  -2.334  -4.530
   36   HG13  ILE   4          2HG1      ILE   4   3.184  -0.789  -3.906
   37   HG21  ILE   4          1HG2      ILE   4   5.019  -3.478  -2.022
   38   HG22  ILE   4          2HG2      ILE   4   3.923  -2.088  -1.848
   39   HG23  ILE   4          3HG2      ILE   4   3.358  -3.582  -2.610
   40   HD11  ILE   4          3HD1      ILE   4   2.769  -0.769  -6.352
   41   HD12  ILE   4          1HD1      ILE   4   4.463  -0.422  -5.998
   42   HD13  ILE   4          2HD1      ILE   4   3.985  -2.040  -6.572
   43    H    LYS   5           H        LYS   5   6.403  -1.244  -1.298
   44    HA   LYS   5           HA       LYS   5   5.169   1.326  -0.822
   45    HB2  LYS   5           1HB      LYS   5   5.722  -0.718   0.730
   46    HB3  LYS   5           2HB      LYS   5   7.306   0.018   0.907
   47    HG2  LYS   5           1HG      LYS   5   4.633   1.354   1.562
   48    HG3  LYS   5           2HG      LYS   5   5.643   0.480   2.713
   49    HD2  LYS   5           1HD      LYS   5   7.507   2.132   2.253
   50    HD3  LYS   5           2HD      LYS   5   6.335   3.093   1.312
   51    HE2  LYS   5           1HE      LYS   5   4.839   3.201   3.300
   52    HE3  LYS   5           2HE      LYS   5   5.977   2.217   4.220
   53    HZ1  LYS   5           3HZ      LYS   5   6.244   4.545   4.722
   54    HZ2  LYS   5           1HZ      LYS   5   7.608   4.002   4.005
   55    HZ3  LYS   5           2HZ      LYS   5   6.548   4.924   3.159
   56    H    ASN   6           H        ASN   6   8.553   0.272  -1.359
   57    HA   ASN   6           HA       ASN   6   9.692   2.911  -1.419
   58    HB2  ASN   6           1HB      ASN   6  10.975   0.824  -1.048
   59    HB3  ASN   6           2HB      ASN   6  10.627   0.319  -2.707
   60   HD21  ASN   6          2HD2      ASN   6  12.306   2.830  -0.747
   61   HD22  ASN   6          1HD2      ASN   6  13.435   3.263  -2.018
   62    H    PHE   7           H        PHE   7   8.075   0.961  -3.965
   63    HA   PHE   7           HA       PHE   7   8.954   2.545  -6.179
   64    HB2  PHE   7           1HB      PHE   7   8.069   0.303  -6.452
   65    HB3  PHE   7           2HB      PHE   7   6.503   0.795  -5.820
   66    HD1  PHE   7           2HD      PHE   7   8.837   1.115  -8.699
   67    HD2  PHE   7           1HD      PHE   7   4.881   1.930  -7.196
   68    HE1  PHE   7           2HE      PHE   7   8.080   1.689 -10.993
   69    HE2  PHE   7           1HE      PHE   7   4.132   2.517  -9.485
   70    HZ   PHE   7           HZ       PHE   7   5.724   2.385 -11.393
   71    H    LEU   8           H        LEU   8   5.973   2.815  -4.140
   72    HA   LEU   8           HA       LEU   8   4.955   5.099  -5.538
   73    HB2  LEU   8           1HB      LEU   8   3.646   3.689  -3.955
   74    HB3  LEU   8           2HB      LEU   8   4.621   4.306  -2.610
   75    HG   LEU   8           HG       LEU   8   3.744   6.546  -2.888
   76   HD11  LEU   8          1HD1      LEU   8   3.487   6.734  -5.331
   77   HD12  LEU   8          2HD1      LEU   8   2.192   5.515  -5.307
   78   HD13  LEU   8          3HD1      LEU   8   1.967   7.100  -4.530
   79   HD21  LEU   8          3HD2      LEU   8   1.378   6.149  -2.357
   80   HD22  LEU   8          1HD2      LEU   8   1.474   4.518  -3.055
   81   HD23  LEU   8          2HD2      LEU   8   2.394   4.919  -1.590
   82    H    TYR   9           H        TYR   9   7.137   4.861  -2.701
   83    HA   TYR   9           HA       TYR   9   7.470   7.643  -2.301
   84    HB2  TYR   9           1HB      TYR   9   8.105   5.802  -0.737
   85    HB3  TYR   9           2HB      TYR   9   9.467   5.410  -1.773
   86    HD1  TYR   9           2HD      TYR   9   8.074   7.845   0.625
   87    HD2  TYR   9           1HD      TYR   9  11.447   6.877  -1.881
   88    HE1  TYR   9           2HE      TYR   9   9.437   9.554   1.810
   89    HE2  TYR   9           1HE      TYR   9  12.816   8.589  -0.701
   90    HH   TYR   9           HH       TYR   9  11.489  10.587   1.973
   91    H    ALA  10           H        ALA  10   9.373   5.426  -4.376
   92    HA   ALA  10           HA       ALA  10  11.204   7.410  -5.360
   93    HB1  ALA  10           1HB      ALA  10  11.643   4.977  -5.387
   94    HB2  ALA  10           2HB      ALA  10  10.320   4.741  -6.552
   95    HB3  ALA  10           3HB      ALA  10  11.763   5.668  -7.016
   96    H    TRP  11           H        TRP  11   8.050   6.252  -6.660
   97    HA   TRP  11           HA       TRP  11   8.073   7.771  -9.077
   98    HB2  TRP  11           1HB      TRP  11   6.511   5.947  -8.634
   99    HB3  TRP  11           2HB      TRP  11   5.799   6.819  -7.293
  100    HD1  TRP  11           HD       TRP  11   5.758   6.665 -11.088
  101    HE1  TRP  11           1HE      TRP  11   3.742   7.979 -11.966
  102    HE3  TRP  11           3HE      TRP  11   4.251   8.859  -6.718
  103    HZ2  TRP  11           2HZ      TRP  11   1.996  10.085 -10.970
  104    HZ3  TRP  11           3HZ      TRP  11   2.376  10.472  -6.701
  105    HH2  TRP  11           HH       TRP  11   1.242  11.103  -8.822
  106    H    CYS  12           H        CYS  12   6.717   8.575  -5.858
  107    HA   CYS  12           HA       CYS  12   6.015  11.296  -6.355
  108    HB2  CYS  12           1HB      CYS  12   6.909   9.743  -3.904
  109    HB3  CYS  12           2HB      CYS  12   6.491  11.458  -3.812
  110    HG   CYS  12           HG       CYS  12   4.450  10.002  -2.960
  111    H    GLY  13           H        GLY  13   9.171   9.963  -5.248
  112    HA2  GLY  13           1HA      GLY  13  10.524  12.451  -5.015
  113    HA3  GLY  13           2HA      GLY  13  11.290  10.859  -5.227
  114    H    LYS  14           H        LYS  14   9.925  10.495  -7.902
  115    HA   LYS  14           HA       LYS  14  11.791  12.007  -9.608
  116    HB2  LYS  14           1HB      LYS  14   9.635   9.920 -10.112
  117    HB3  LYS  14           2HB      LYS  14  10.509  10.716 -11.424
  118    HG2  LYS  14           1HG      LYS  14  12.643   9.884 -10.639
  119    HG3  LYS  14           2HG      LYS  14  11.911   9.192  -9.187
  120    HD2  LYS  14           1HD      LYS  14  10.547   7.663 -10.592
  121    HD3  LYS  14           2HD      LYS  14  11.294   8.350 -12.053
  122    HE2  LYS  14           1HE      LYS  14  13.538   7.646 -11.214
  123    HE3  LYS  14           2HE      LYS  14  12.778   6.942  -9.781
  124    HZ1  LYS  14           3HZ      LYS  14  13.196   5.263 -11.479
  125    HZ2  LYS  14           1HZ      LYS  14  11.584   5.410 -11.254
  126    HZ3  LYS  14           2HZ      LYS  14  12.291   6.065 -12.578
  127    H    ARG  15           H        ARG  15   8.810  12.705  -8.255
  128    HA   ARG  15           HA       ARG  15   8.133  14.800 -10.278
  129    HB2  ARG  15           1HB      ARG  15   6.349  13.231  -8.372
  130    HB3  ARG  15           2HB      ARG  15   5.811  14.543  -9.434
  131    HG2  ARG  15           1HG      ARG  15   6.570  13.200 -11.413
  132    HG3  ARG  15           2HG      ARG  15   6.945  11.855 -10.342
  133    HD2  ARG  15           1HD      ARG  15   4.646  11.634  -9.669
  134    HD3  ARG  15           2HD      ARG  15   4.212  13.165 -10.438
  135    HE   ARG  15           HE       ARG  15   5.184  10.806 -12.010
  136   HH11  ARG  15          1HH1      ARG  15   2.694  13.349 -11.626
  137   HH12  ARG  15          2HH1      ARG  15   1.834  12.735 -13.037
  138   HH21  ARG  15          1HH2      ARG  15   3.885  10.183 -13.810
  139   HH22  ARG  15          2HH2      ARG  15   2.461  11.154 -14.156
  140    H    LYS  16           H        LYS  16   9.787  14.656  -7.533
  141    HA   LYS  16           HA       LYS  16  10.304  16.002  -5.799
  142    HB2  LYS  16           1HB      LYS  16   8.830  18.180  -7.338
  143    HB3  LYS  16           2HB      LYS  16   9.962  18.415  -6.007
  144    HG2  LYS  16           1HG      LYS  16  11.771  17.344  -7.342
  145    HG3  LYS  16           2HG      LYS  16  10.649  17.190  -8.711
  146    HD2  LYS  16           1HD      LYS  16  10.369  19.660  -8.767
  147    HD3  LYS  16           2HD      LYS  16  11.432  19.812  -7.365
  148    HE2  LYS  16           1HE      LYS  16  12.746  20.348  -9.278
  149    HE3  LYS  16           2HE      LYS  16  13.298  18.784  -8.677
  150    HZ1  LYS  16           3HZ      LYS  16  13.052  18.805 -11.095
  151    HZ2  LYS  16           1HZ      LYS  16  12.009  17.726 -10.455
  152    HZ3  LYS  16           2HZ      LYS  16  11.467  19.178 -10.986
  153    H    MET  17           H        MET  17   7.926  14.406  -5.561
  154    HA   MET  17           HA       MET  17   6.352  15.868  -3.464
  155    HB2  MET  17           1HB      MET  17   5.591  13.480  -5.204
  156    HB3  MET  17           2HB      MET  17   4.582  14.177  -3.939
  157    HG2  MET  17           1HG      MET  17   4.675  16.377  -5.202
  158    HG3  MET  17           2HG      MET  17   5.419  15.498  -6.535
  159    HE1  MET  17           3HE      MET  17   2.532  12.972  -7.527
  160    HE2  MET  17           1HE      MET  17   4.205  13.464  -7.818
  161    HE3  MET  17           2HE      MET  17   3.763  12.642  -6.303
  162    H    THR  18           H        THR  18   5.453  14.327  -1.828
  163    HA   THR  18           HA       THR  18   7.129  11.969  -1.147
  164    HB   THR  18           HB       THR  18   6.420  14.153   0.850
  165    HG1  THR  18           1HG      THR  18   8.645  14.547   0.819
  166   HG21  THR  18          3HG2      THR  18   7.948  12.882   2.350
  167   HG22  THR  18          1HG2      THR  18   6.550  11.908   1.889
  168   HG23  THR  18          2HG2      THR  18   8.122  11.624   1.106
  169    HA   PRO  19           HA       PRO  19   2.815  10.707  -0.476
  170    HB2  PRO  19           1HB      PRO  19   3.149   8.077   0.121
  171    HB3  PRO  19           2HB      PRO  19   3.430   8.714  -1.528
  172    HG2  PRO  19           1HG      PRO  19   5.487   8.170   0.637
  173    HG3  PRO  19           2HG      PRO  19   5.535   7.682  -1.085
  174    HD2  PRO  19           1HD      PRO  19   6.799   9.923  -0.090
  175    HD3  PRO  19           2HD      PRO  19   6.154   9.850  -1.751
  176    H    ALA  20           H        ALA  20   1.458  10.487   1.282
  177    HA   ALA  20           HA       ALA  20   2.714  10.486   4.008
  178    HB1  ALA  20           1HB      ALA  20   1.800  12.673   3.369
  179    HB2  ALA  20           2HB      ALA  20   0.227  11.924   2.997
  180    HB3  ALA  20           3HB      ALA  20   0.840  11.927   4.666
  181    H    TYR  21           H        TYR  21   2.347   8.707   5.064
  182    HA   TYR  21           HA       TYR  21   0.018   6.959   4.466
  183    HB2  TYR  21           1HB      TYR  21   2.632   6.462   5.941
  184    HB3  TYR  21           2HB      TYR  21   1.338   5.290   5.815
  185    HD1  TYR  21           2HD      TYR  21   3.873   7.174   3.819
  186    HD2  TYR  21           1HD      TYR  21   1.056   3.911   3.890
  187    HE1  TYR  21           2HE      TYR  21   4.831   6.291   1.698
  188    HE2  TYR  21           1HE      TYR  21   2.021   3.020   1.783
  189    HH   TYR  21           HH       TYR  21   3.575   3.352   0.103
  190    H    GLU  22           H        GLU  22  -1.228   6.024   6.157
  191    HA   GLU  22           HA       GLU  22  -0.802   6.872   8.936
  192    HB2  GLU  22           1HB      GLU  22  -2.333   8.592   8.010
  193    HB3  GLU  22           2HB      GLU  22  -3.449   7.330   7.500
  194    HG2  GLU  22           1HG      GLU  22  -4.221   8.415   9.539
  195    HG3  GLU  22           2HG      GLU  22  -3.886   6.720   9.844
  196    H    ILE  23           H        ILE  23  -1.821   5.461  10.465
  197    HA   ILE  23           HA       ILE  23  -2.546   2.753   9.395
  198    HB   ILE  23           HB       ILE  23  -0.328   3.439  11.360
  199   HG12  ILE  23          1HG1      ILE  23  -0.323   2.055   8.639
  200   HG13  ILE  23          2HG1      ILE  23   0.287   3.674   8.980
  201   HG21  ILE  23          1HG2      ILE  23  -1.522   1.443  12.205
  202   HG22  ILE  23          2HG2      ILE  23  -1.360   0.666  10.610
  203   HG23  ILE  23          3HG2      ILE  23   0.061   1.015  11.614
  204   HD11  ILE  23          3HD1      ILE  23   2.178   2.285   8.800
  205   HD12  ILE  23          1HD1      ILE  23   1.994   2.626  10.531
  206   HD13  ILE  23          2HD1      ILE  23   1.495   1.048   9.860
  207    H    ARG  24           H        ARG  24  -3.791   1.460  10.697
  208    HA   ARG  24           HA       ARG  24  -5.035   2.620  13.146
  209    HB2  ARG  24           1HB      ARG  24  -6.161   3.366  11.022
  210    HB3  ARG  24           2HB      ARG  24  -6.565   1.681  10.696
  211    HG2  ARG  24           1HG      ARG  24  -7.938   1.592  12.731
  212    HG3  ARG  24           2HG      ARG  24  -7.472   3.250  13.149
  213    HD2  ARG  24           1HD      ARG  24  -8.990   2.431  10.622
  214    HD3  ARG  24           2HD      ARG  24  -9.730   3.072  12.083
  215    HE   ARG  24           HE       ARG  24  -8.727   5.201  11.728
  216   HH11  ARG  24          1HH1      ARG  24  -8.222   3.120   8.852
  217   HH12  ARG  24          2HH1      ARG  24  -7.778   4.538   7.903
  218   HH21  ARG  24          1HH2      ARG  24  -8.162   6.880  10.292
  219   HH22  ARG  24          2HH2      ARG  24  -7.763   6.447   8.631
  220    H    ALA  25           H        ALA  25  -5.659   1.119  14.583
  221    HA   ALA  25           HA       ALA  25  -4.866  -1.701  14.118
  222    HB1  ALA  25           1HB      ALA  25  -4.053  -0.498  16.115
  223    HB2  ALA  25           2HB      ALA  25  -5.729  -0.240  16.653
  224    HB3  ALA  25           3HB      ALA  25  -5.064  -1.883  16.565
  225    H    VAL  26           H        VAL  26  -6.229  -3.461  14.134
  226    HA   VAL  26           HA       VAL  26  -9.132  -3.152  14.635
  227    HB   VAL  26           HB       VAL  26  -9.711  -4.185  12.450
  228   HG11  VAL  26          1HG1      VAL  26  -9.956  -1.740  12.844
  229   HG12  VAL  26          2HG1      VAL  26  -8.372  -1.485  12.070
  230   HG13  VAL  26          3HG1      VAL  26  -9.720  -2.180  11.149
  231   HG21  VAL  26          3HG2      VAL  26  -8.181  -4.097  10.546
  232   HG22  VAL  26          1HG2      VAL  26  -6.868  -3.493  11.578
  233   HG23  VAL  26          2HG2      VAL  26  -7.513  -5.133  11.807
  234    H    GLY  27           H        GLY  27 -10.292  -5.121  14.750
  235    HA2  GLY  27           1HA      GLY  27 -10.594  -7.444  14.893
  236    HA3  GLY  27           2HA      GLY  27  -8.861  -7.698  14.620
  237    H    ASN  28           H        ASN  28  -8.907  -9.257  16.256
  238    HA   ASN  28           HA       ASN  28  -9.801  -8.807  18.937
  239    HB2  ASN  28           1HB      ASN  28  -9.712 -11.011  17.901
  240    HB3  ASN  28           2HB      ASN  28  -7.967 -10.879  17.681
  241   HD21  ASN  28          2HD2      ASN  28 -10.543 -11.497  20.044
  242   HD22  ASN  28          1HD2      ASN  28  -9.454 -12.004  21.323
  243    H    LYS  29           H        LYS  29  -8.730  -8.289  20.819
  244    HA   LYS  29           HA       LYS  29  -6.580  -6.469  20.652
  245    HB2  LYS  29           1HB      LYS  29  -6.744  -6.303  23.033
  246    HB3  LYS  29           2HB      LYS  29  -8.353  -6.387  22.317
  247    HG2  LYS  29           1HG      LYS  29  -8.430  -8.848  22.908
  248    HG3  LYS  29           2HG      LYS  29  -6.884  -8.659  23.745
  249    HD2  LYS  29           1HD      LYS  29  -9.460  -7.163  24.410
  250    HD3  LYS  29           2HD      LYS  29  -8.842  -8.594  25.245
  251    HE2  LYS  29           1HE      LYS  29  -6.778  -7.340  25.874
  252    HE3  LYS  29           2HE      LYS  29  -7.421  -5.897  25.077
  253    HZ1  LYS  29           3HZ      LYS  29  -7.853  -5.854  27.456
  254    HZ2  LYS  29           1HZ      LYS  29  -9.273  -5.930  26.654
  255    HZ3  LYS  29           2HZ      LYS  29  -8.677  -7.262  27.393
  256    H    ASN  30           H        ASN  30  -6.367  -9.930  21.149
  257    HA   ASN  30           HA       ASN  30  -3.468  -9.759  21.829
  258    HB2  ASN  30           1HB      ASN  30  -4.870 -11.262  23.175
  259    HB3  ASN  30           2HB      ASN  30  -5.399 -12.108  21.723
  260   HD21  ASN  30          2HD2      ASN  30  -4.474 -14.147  21.933
  261   HD22  ASN  30          1HD2      ASN  30  -2.759 -14.409  22.195
  262    H    ARG  31           H        ARG  31  -5.629 -11.304  19.399
  263    HA   ARG  31           HA       ARG  31  -3.397 -11.688  17.492
  264    HB2  ARG  31           1HB      ARG  31  -6.342 -12.416  17.297
  265    HB3  ARG  31           2HB      ARG  31  -5.113 -12.754  16.073
  266    HG2  ARG  31           1HG      ARG  31  -3.845 -14.121  17.746
  267    HG3  ARG  31           2HG      ARG  31  -5.109 -13.801  18.940
  268    HD2  ARG  31           1HD      ARG  31  -5.522 -15.970  18.036
  269    HD3  ARG  31           2HD      ARG  31  -6.781 -14.882  17.429
  270    HE   ARG  31           HE       ARG  31  -4.524 -15.074  15.614
  271   HH11  ARG  31          1HH1      ARG  31  -7.426 -16.864  16.563
  272   HH12  ARG  31          2HH1      ARG  31  -7.534 -17.678  15.030
  273   HH21  ARG  31          1HH2      ARG  31  -4.725 -16.155  13.660
  274   HH22  ARG  31          2HH2      ARG  31  -6.022 -17.284  13.416
  275    H    GLN  32           H        GLN  32  -3.129  -9.306  17.749
  276    HA   GLN  32           HA       GLN  32  -5.005  -7.415  16.702
  277    HB2  GLN  32           1HB      GLN  32  -3.238  -7.007  18.443
  278    HB3  GLN  32           2HB      GLN  32  -2.002  -7.183  17.199
  279    HG2  GLN  32           1HG      GLN  32  -2.342  -4.844  17.644
  280    HG3  GLN  32           2HG      GLN  32  -2.925  -5.177  16.021
  281   HE21  GLN  32          2HE2      GLN  32  -3.945  -4.430  19.384
  282   HE22  GLN  32          1HE2      GLN  32  -5.573  -3.956  18.922
  283    H    LYS  33           H        LYS  33  -5.111  -6.308  14.798
  284    HA   LYS  33           HA       LYS  33  -3.221  -6.920  12.580
  285    HB2  LYS  33           1HB      LYS  33  -6.266  -7.084  12.509
  286    HB3  LYS  33           2HB      LYS  33  -5.280  -6.879  11.063
  287    HG2  LYS  33           1HG      LYS  33  -4.098  -8.999  11.543
  288    HG3  LYS  33           2HG      LYS  33  -5.082  -9.228  13.001
  289    HD2  LYS  33           1HD      LYS  33  -7.128  -9.291  11.651
  290    HD3  LYS  33           2HD      LYS  33  -6.206  -9.018  10.167
  291    HE2  LYS  33           1HE      LYS  33  -5.767 -11.398  12.035
  292    HE3  LYS  33           2HE      LYS  33  -6.885 -11.431  10.668
  293    HZ1  LYS  33           3HZ      LYS  33  -4.743 -12.339  10.045
  294    HZ2  LYS  33           1HZ      LYS  33  -5.018 -10.981   9.186
  295    HZ3  LYS  33           2HZ      LYS  33  -3.955 -10.964  10.432
  296    H    PHE  34           H        PHE  34  -3.284  -5.333  10.863
  297    HA   PHE  34           HA       PHE  34  -4.012  -2.600  11.820
  298    HB2  PHE  34           1HB      PHE  34  -1.352  -3.509  10.663
  299    HB3  PHE  34           2HB      PHE  34  -1.799  -1.846  11.021
  300    HD1  PHE  34           2HD      PHE  34  -2.425  -1.235  13.455
  301    HD2  PHE  34           1HD      PHE  34  -0.394  -4.881  12.369
  302    HE1  PHE  34           2HE      PHE  34  -1.663  -1.514  15.804
  303    HE2  PHE  34           1HE      PHE  34   0.376  -5.150  14.712
  304    HZ   PHE  34           HZ       PHE  34  -0.254  -3.467  16.433
  305    H    MET  35           H        MET  35  -4.906  -1.352  10.425
  306    HA   MET  35           HA       MET  35  -4.915  -1.950   7.500
  307    HB2  MET  35           1HB      MET  35  -6.575   0.129   8.973
  308    HB3  MET  35           2HB      MET  35  -6.729  -0.408   7.301
  309    HG2  MET  35           1HG      MET  35  -7.232  -2.758   8.324
  310    HG3  MET  35           2HG      MET  35  -7.411  -1.882   9.845
  311    HE1  MET  35           3HE      MET  35 -10.185  -1.652   6.158
  312    HE2  MET  35           1HE      MET  35  -8.472  -1.202   6.055
  313    HE3  MET  35           2HE      MET  35  -8.932  -2.873   6.455
  314    H    CYS  36           H        CYS  36  -4.385  -0.211   6.081
  315    HA   CYS  36           HA       CYS  36  -3.081   2.174   7.222
  316    HB2  CYS  36           1HB      CYS  36  -1.291   0.458   6.980
  317    HB3  CYS  36           2HB      CYS  36  -1.714   0.286   5.262
  318    HG   CYS  36           HG       CYS  36  -0.961   3.161   6.748
  319    H    GLU  37           H        GLU  37  -3.024   3.924   5.833
  320    HA   GLU  37           HA       GLU  37  -4.224   3.680   3.160
  321    HB2  GLU  37           1HB      GLU  37  -5.614   5.641   3.533
  322    HB3  GLU  37           2HB      GLU  37  -6.080   4.309   4.591
  323    HG2  GLU  37           1HG      GLU  37  -4.813   5.414   6.468
  324    HG3  GLU  37           2HG      GLU  37  -4.463   6.770   5.386
  325    H    VAL  38           H        VAL  38  -3.527   5.286   1.704
  326    HA   VAL  38           HA       VAL  38  -1.387   7.127   2.608
  327    HB   VAL  38           HB       VAL  38  -0.324   5.001   1.897
  328   HG11  VAL  38          1HG1      VAL  38  -1.904   4.379   0.069
  329   HG12  VAL  38          2HG1      VAL  38  -1.234   5.704  -0.912
  330   HG13  VAL  38          3HG1      VAL  38  -0.203   4.350  -0.422
  331   HG21  VAL  38          3HG2      VAL  38   1.401   6.024   0.473
  332   HG22  VAL  38          1HG2      VAL  38   0.342   7.382   0.101
  333   HG23  VAL  38          2HG2      VAL  38   0.923   7.135   1.764
  334    H    ARG  39           H        ARG  39  -1.104   8.927   1.493
  335    HA   ARG  39           HA       ARG  39  -2.922   9.640  -0.762
  336    HB2  ARG  39           1HB      ARG  39  -2.556  11.226   1.823
  337    HB3  ARG  39           2HB      ARG  39  -3.565  11.684   0.445
  338    HG2  ARG  39           1HG      ARG  39  -4.987   9.662   0.844
  339    HG3  ARG  39           2HG      ARG  39  -4.007   9.278   2.272
  340    HD2  ARG  39           1HD      ARG  39  -4.607  11.515   3.232
  341    HD3  ARG  39           2HD      ARG  39  -5.705  11.756   1.867
  342    HE   ARG  39           HE       ARG  39  -5.927   9.430   3.768
  343   HH11  ARG  39          1HH1      ARG  39  -7.606  12.104   2.146
  344   HH12  ARG  39          2HH1      ARG  39  -9.145  11.609   2.785
  345   HH21  ARG  39          1HH2      ARG  39  -7.865   8.877   4.542
  346   HH22  ARG  39          2HH2      ARG  39  -9.301   9.794   4.129
  347    H    VAL  40           H        VAL  40  -2.264  11.622  -1.842
  348    HA   VAL  40           HA       VAL  40   0.529  12.566  -1.442
  349    HB   VAL  40           HB       VAL  40  -0.524  11.597  -4.135
  350   HG11  VAL  40          1HG1      VAL  40   0.997  13.511  -4.400
  351   HG12  VAL  40          2HG1      VAL  40   2.199  12.735  -3.344
  352   HG13  VAL  40          3HG1      VAL  40   1.797  12.034  -4.926
  353   HG21  VAL  40          3HG2      VAL  40   1.272   9.885  -4.035
  354   HG22  VAL  40          1HG2      VAL  40   1.673  10.398  -2.386
  355   HG23  VAL  40          2HG2      VAL  40   0.102   9.649  -2.738
  356    H    GLU  41           H        GLU  41   0.742  14.719  -1.833
  357    HA   GLU  41           HA       GLU  41  -1.546  16.378  -1.899
  358    HB2  GLU  41           1HB      GLU  41   0.657  16.957  -0.917
  359    HB3  GLU  41           2HB      GLU  41   1.342  17.105  -2.541
  360    HG2  GLU  41           1HG      GLU  41  -0.223  18.956  -3.044
  361    HG3  GLU  41           2HG      GLU  41  -0.996  18.750  -1.469
  362    H    GLY  42           H        GLY  42  -2.742  17.252  -3.480
  363    HA2  GLY  42           1HA      GLY  42  -3.268  18.132  -5.601
  364    HA3  GLY  42           2HA      GLY  42  -1.804  17.396  -6.296
  365    H    PHE  43           H        PHE  43  -3.314  15.016  -4.489
  366    HA   PHE  43           HA       PHE  43  -5.079  14.089  -6.720
  367    HB2  PHE  43           1HB      PHE  43  -3.191  12.419  -5.015
  368    HB3  PHE  43           2HB      PHE  43  -4.325  11.795  -6.197
  369    HD1  PHE  43           2HD      PHE  43  -1.151  13.637  -5.723
  370    HD2  PHE  43           1HD      PHE  43  -3.895  12.013  -8.626
  371    HE1  PHE  43           2HE      PHE  43   0.533  13.970  -7.505
  372    HE2  PHE  43           1HE      PHE  43  -2.188  12.313 -10.401
  373    HZ   PHE  43           HZ       PHE  43   0.028  13.294  -9.848
  374    H    ASN  44           H        ASN  44  -7.100  13.663  -6.123
  375    HA   ASN  44           HA       ASN  44  -7.898  14.097  -3.368
  376    HB2  ASN  44           1HB      ASN  44 -10.161  14.047  -4.238
  377    HB3  ASN  44           2HB      ASN  44  -9.131  15.054  -5.243
  378   HD21  ASN  44          2HD2      ASN  44  -9.187  14.655  -7.465
  379   HD22  ASN  44          1HD2      ASN  44  -9.841  13.190  -8.173
  380    H    TYR  45           H        TYR  45  -7.004  11.236  -4.985
  381    HA   TYR  45           HA       TYR  45  -8.847   9.416  -3.677
  382    HB2  TYR  45           1HB      TYR  45  -7.777   9.110  -5.925
  383    HB3  TYR  45           2HB      TYR  45  -6.238   8.832  -5.117
  384    HD1  TYR  45           1HD      TYR  45  -9.779   7.614  -5.313
  385    HD2  TYR  45           2HD      TYR  45  -5.678   6.591  -4.461
  386    HE1  TYR  45           1HE      TYR  45 -10.412   5.217  -5.166
  387    HE2  TYR  45           2HE      TYR  45  -6.310   4.188  -4.304
  388    HH   TYR  45           HH       TYR  45  -9.690   3.074  -4.781
  389    H    ALA  46           H        ALA  46  -8.303   7.750  -2.206
  390    HA   ALA  46           HA       ALA  46  -5.759   7.957  -0.690
  391    HB1  ALA  46           1HB      ALA  46  -7.466   9.145   0.648
  392    HB2  ALA  46           2HB      ALA  46  -8.523   7.718   0.585
  393    HB3  ALA  46           3HB      ALA  46  -6.963   7.632   1.432
  394    H    GLY  47           H        GLY  47  -4.789   6.140  -1.234
  395    HA2  GLY  47           1HA      GLY  47  -6.276   3.654  -1.862
  396    HA3  GLY  47           2HA      GLY  47  -4.526   3.912  -2.039
  397    H    MET  48           H        MET  48  -6.148   1.773  -0.630
  398    HA   MET  48           HA       MET  48  -4.804   1.890   2.000
  399    HB2  MET  48           1HB      MET  48  -6.896   1.492   3.172
  400    HB3  MET  48           2HB      MET  48  -6.897   3.054   2.362
  401    HG2  MET  48           1HG      MET  48  -8.275   2.135   0.541
  402    HG3  MET  48           2HG      MET  48  -8.255   0.541   1.287
  403    HE1  MET  48           3HE      MET  48 -10.530   0.913   4.401
  404    HE2  MET  48           1HE      MET  48  -9.568  -0.173   3.378
  405    HE3  MET  48           2HE      MET  48  -8.763   1.042   4.400
  406    H    GLY  49           H        GLY  49  -4.783   0.048   3.224
  407    HA2  GLY  49           1HA      GLY  49  -5.481  -2.582   2.064
  408    HA3  GLY  49           2HA      GLY  49  -3.769  -2.211   2.212
  409    H    ASN  50           H        ASN  50  -4.339  -4.318   3.573
  410    HA   ASN  50           HA       ASN  50  -3.869  -3.493   6.313
  411    HB2  ASN  50           1HB      ASN  50  -5.672  -4.689   7.368
  412    HB3  ASN  50           2HB      ASN  50  -6.373  -3.575   6.207
  413   HD21  ASN  50          2HD2      ASN  50  -7.504  -4.448   4.361
  414   HD22  ASN  50          1HD2      ASN  50  -7.848  -6.163   4.243
  415    H    SER  51           H        SER  51  -3.245  -5.276   7.749
  416    HA   SER  51           HA       SER  51  -2.914  -7.969   6.864
  417    HB2  SER  51           1HB      SER  51  -1.034  -6.851   5.541
  418    HB3  SER  51           2HB      SER  51  -0.276  -6.483   7.096
  419    HG   SER  51           HG       SER  51   0.443  -8.504   6.166
  420    H    THR  52           H        THR  52  -1.197  -9.063   8.504
  421    HA   THR  52           HA       THR  52  -2.002  -8.445  11.264
  422    HB   THR  52           HB       THR  52   0.039 -10.452  10.247
  423    HG1  THR  52           1HG      THR  52  -1.646 -11.850  10.094
  424   HG21  THR  52          3HG2      THR  52  -0.683 -11.736  12.289
  425   HG22  THR  52          1HG2      THR  52   0.152 -10.234  12.686
  426   HG23  THR  52          2HG2      THR  52  -1.620 -10.318  12.811
  427    H    ASN  53           H        ASN  53   0.485  -7.373   9.169
  428    HA   ASN  53           HA       ASN  53   1.915  -6.070  11.420
  429    HB2  ASN  53           1HB      ASN  53   4.058  -6.679  10.521
  430    HB3  ASN  53           2HB      ASN  53   3.126  -8.140  10.811
  431   HD21  ASN  53          2HD2      ASN  53   5.134  -6.637   8.553
  432   HD22  ASN  53          1HD2      ASN  53   4.575  -7.491   7.113
  433    H    LYS  54           H        LYS  54   2.914  -4.140  10.998
  434    HA   LYS  54           HA       LYS  54   1.392  -2.452   9.304
  435    HB2  LYS  54           1HB      LYS  54   3.908  -1.988  10.955
  436    HB3  LYS  54           2HB      LYS  54   3.009  -0.695  10.158
  437    HG2  LYS  54           1HG      LYS  54   0.960  -1.312  11.424
  438    HG3  LYS  54           2HG      LYS  54   1.853  -2.602  12.248
  439    HD2  LYS  54           1HD      LYS  54   3.410  -0.923  13.203
  440    HD3  LYS  54           2HD      LYS  54   2.495   0.376  12.404
  441    HE2  LYS  54           1HE      LYS  54   0.451  -0.294  13.654
  442    HE3  LYS  54           2HE      LYS  54   1.344  -1.609  14.424
  443    HZ1  LYS  54           3HZ      LYS  54   1.222   0.335  15.865
  444    HZ2  LYS  54           1HZ      LYS  54   2.780   0.056  15.467
  445    HZ3  LYS  54           2HZ      LYS  54   1.959   1.279  14.755
  446    H    LYS  55           H        LYS  55   4.572  -3.862   8.616
  447    HA   LYS  55           HA       LYS  55   5.176  -2.092   6.377
  448    HB2  LYS  55           1HB      LYS  55   6.235  -4.758   7.355
  449    HB3  LYS  55           2HB      LYS  55   6.589  -4.235   5.718
  450    HG2  LYS  55           1HG      LYS  55   8.414  -3.592   7.075
  451    HG3  LYS  55           2HG      LYS  55   7.582  -2.134   6.536
  452    HD2  LYS  55           1HD      LYS  55   6.548  -1.878   8.774
  453    HD3  LYS  55           2HD      LYS  55   7.296  -3.408   9.297
  454    HE2  LYS  55           1HE      LYS  55   9.550  -2.417   8.768
  455    HE3  LYS  55           2HE      LYS  55   8.771  -0.886   8.383
  456    HZ1  LYS  55           3HZ      LYS  55   9.646  -0.980  10.660
  457    HZ2  LYS  55           1HZ      LYS  55   8.026  -0.732  10.675
  458    HZ3  LYS  55           2HZ      LYS  55   8.636  -2.207  11.043
  459    H    ASP  56           H        ASP  56   3.554  -5.287   6.531
  460    HA   ASP  56           HA       ASP  56   3.066  -5.383   3.672
  461    HB2  ASP  56           1HB      ASP  56   2.068  -6.939   6.059
  462    HB3  ASP  56           2HB      ASP  56   1.364  -7.166   4.465
  463    H    ALA  57           H        ALA  57   1.141  -4.202   6.456
  464    HA   ALA  57           HA       ALA  57  -1.223  -3.579   4.964
  465    HB1  ALA  57           1HB      ALA  57  -1.037  -3.653   7.454
  466    HB2  ALA  57           2HB      ALA  57  -0.063  -2.166   7.414
  467    HB3  ALA  57           3HB      ALA  57  -1.752  -2.136   6.870
  468    H    GLN  58           H        GLN  58   1.684  -1.544   5.636
  469    HA   GLN  58           HA       GLN  58   0.890   0.695   4.005
  470    HB2  GLN  58           1HB      GLN  58   3.581  -0.387   4.924
  471    HB3  GLN  58           2HB      GLN  58   3.443   1.033   3.888
  472    HG2  GLN  58           1HG      GLN  58   2.233   2.280   5.537
  473    HG3  GLN  58           2HG      GLN  58   2.033   0.861   6.575
  474   HE21  GLN  58          2HE2      GLN  58   3.935   0.015   7.671
  475   HE22  GLN  58          1HE2      GLN  58   5.326   1.074   7.947
  476    H    SER  59           H        SER  59   2.677  -2.313   3.158
  477    HA   SER  59           HA       SER  59   3.246  -1.575   0.448
  478    HB2  SER  59           1HB      SER  59   2.716  -4.340   1.614
  479    HB3  SER  59           2HB      SER  59   3.468  -3.997   0.054
  480    HG   SER  59           HG       SER  59   4.476  -3.305   2.640
  481    H    ASN  60           H        ASN  60   0.371  -3.102   1.901
  482    HA   ASN  60           HA       ASN  60  -0.966  -3.499  -0.656
  483    HB2  ASN  60           1HB      ASN  60  -1.891  -3.650   2.236
  484    HB3  ASN  60           2HB      ASN  60  -2.953  -3.973   0.863
  485   HD21  ASN  60          2HD2      ASN  60  -2.257  -5.932   2.948
  486   HD22  ASN  60          1HD2      ASN  60  -1.425  -7.211   2.095
  487    H    ALA  61           H        ALA  61  -1.102  -0.935   1.855
  488    HA   ALA  61           HA       ALA  61  -3.064   0.702   0.546
  489    HB1  ALA  61           1HB      ALA  61  -2.280   0.963   2.912
  490    HB2  ALA  61           2HB      ALA  61  -0.711   1.534   2.308
  491    HB3  ALA  61           3HB      ALA  61  -2.177   2.476   1.987
  492    H    ALA  62           H        ALA  62   0.517   0.658   0.248
  493    HA   ALA  62           HA       ALA  62   0.737   2.718  -1.696
  494    HB1  ALA  62           1HB      ALA  62   2.605   1.746  -0.355
  495    HB2  ALA  62           2HB      ALA  62   2.488   0.248  -1.291
  496    HB3  ALA  62           3HB      ALA  62   2.958   1.758  -2.100
  497    H    ARG  63           H        ARG  63   0.474  -0.861  -2.191
  498    HA   ARG  63           HA       ARG  63   0.438  -0.766  -4.990
  499    HB2  ARG  63           1HB      ARG  63   0.661  -2.850  -3.582
  500    HB3  ARG  63           2HB      ARG  63  -1.049  -2.733  -3.192
  501    HG2  ARG  63           1HG      ARG  63  -0.759  -4.364  -4.947
  502    HG3  ARG  63           2HG      ARG  63  -1.624  -2.983  -5.592
  503    HD2  ARG  63           1HD      ARG  63   0.912  -2.261  -6.298
  504    HD3  ARG  63           2HD      ARG  63   1.132  -4.003  -6.217
  505    HE   ARG  63           HE       ARG  63  -0.980  -2.605  -7.852
  506   HH11  ARG  63          1HH1      ARG  63   1.554  -5.098  -7.810
  507   HH12  ARG  63          2HH1      ARG  63   1.150  -5.617  -9.418
  508   HH21  ARG  63          1HH2      ARG  63  -1.401  -3.276  -9.837
  509   HH22  ARG  63          2HH2      ARG  63  -0.514  -4.591 -10.574
  510    H    ASP  64           H        ASP  64  -2.337  -0.398  -2.744
  511    HA   ASP  64           HA       ASP  64  -4.318  -0.283  -4.812
  512    HB2  ASP  64           1HB      ASP  64  -4.681  -0.852  -2.412
  513    HB3  ASP  64           2HB      ASP  64  -4.411   0.842  -1.997
  514    H    PHE  65           H        PHE  65  -2.335   2.297  -3.307
  515    HA   PHE  65           HA       PHE  65  -3.692   4.422  -4.784
  516    HB2  PHE  65           1HB      PHE  65  -2.499   4.717  -2.595
  517    HB3  PHE  65           2HB      PHE  65  -0.972   4.511  -3.438
  518    HD1  PHE  65           2HD      PHE  65  -0.210   6.255  -5.087
  519    HD2  PHE  65           1HD      PHE  65  -3.846   6.734  -2.835
  520    HE1  PHE  65           2HE      PHE  65  -0.293   8.660  -5.711
  521    HE2  PHE  65           1HE      PHE  65  -3.943   9.122  -3.490
  522    HZ   PHE  65           HZ       PHE  65  -2.175  10.082  -4.950
  523    H    VAL  66           H        VAL  66  -0.679   2.528  -5.302
  524    HA   VAL  66           HA       VAL  66   0.087   3.827  -7.750
  525    HB   VAL  66           HB       VAL  66   0.553   0.987  -6.770
  526   HG11  VAL  66          1HG1      VAL  66   0.772   0.850  -9.185
  527   HG12  VAL  66          2HG1      VAL  66   1.690   2.372  -9.238
  528   HG13  VAL  66          3HG1      VAL  66   2.395   0.923  -8.494
  529   HG21  VAL  66          3HG2      VAL  66   2.764   1.789  -6.221
  530   HG22  VAL  66          1HG2      VAL  66   2.455   3.357  -7.009
  531   HG23  VAL  66          2HG2      VAL  66   1.602   2.923  -5.522
  532    H    ASN  67           H        ASN  67  -2.071   1.044  -7.148
  533    HA   ASN  67           HA       ASN  67  -2.918   0.635  -9.841
  534    HB2  ASN  67           1HB      ASN  67  -4.363   0.190  -7.205
  535    HB3  ASN  67           2HB      ASN  67  -5.052  -0.255  -8.759
  536   HD21  ASN  67          2HD2      ASN  67  -4.760  -2.210  -6.884
  537   HD22  ASN  67          1HD2      ASN  67  -3.507  -3.315  -7.404
  538    H    TYR  68           H        TYR  68  -4.024   3.159  -7.508
  539    HA   TYR  68           HA       TYR  68  -6.085   4.197  -9.311
  540    HB2  TYR  68           1HB      TYR  68  -6.393   4.778  -7.104
  541    HB3  TYR  68           2HB      TYR  68  -4.724   5.235  -6.837
  542    HD1  TYR  68           2HD      TYR  68  -7.866   6.267  -8.574
  543    HD2  TYR  68           1HD      TYR  68  -3.962   7.470  -7.187
  544    HE1  TYR  68           2HE      TYR  68  -8.416   8.641  -9.080
  545    HE2  TYR  68           1HE      TYR  68  -4.499   9.833  -7.705
  546    HH   TYR  68           HH       TYR  68  -6.101  11.315  -8.486
  547    H    LEU  69           H        LEU  69  -2.637   5.087  -8.730
  548    HA   LEU  69           HA       LEU  69  -2.520   7.127 -10.717
  549    HB2  LEU  69           1HB      LEU  69  -0.325   5.269  -9.752
  550    HB3  LEU  69           2HB      LEU  69  -0.105   6.735 -10.704
  551    HG   LEU  69           HG       LEU  69  -1.284   6.730  -7.902
  552   HD11  LEU  69          1HD1      LEU  69   1.028   5.952  -7.855
  553   HD12  LEU  69          2HD1      LEU  69   1.533   7.283  -8.908
  554   HD13  LEU  69          3HD1      LEU  69   0.967   7.617  -7.262
  555   HD21  LEU  69          3HD2      LEU  69  -0.773   9.180  -8.032
  556   HD22  LEU  69          1HD2      LEU  69  -0.387   8.977  -9.754
  557   HD23  LEU  69          2HD2      LEU  69  -2.033   8.670  -9.157
  558    H    VAL  70           H        VAL  70  -2.135   3.615 -11.123
  559    HA   VAL  70           HA       VAL  70  -1.652   3.735 -13.965
  560    HB   VAL  70           HB       VAL  70  -2.844   1.508 -12.282
  561   HG11  VAL  70          1HG1      VAL  70  -3.564   1.136 -14.601
  562   HG12  VAL  70          2HG1      VAL  70  -1.913   1.428 -15.189
  563   HG13  VAL  70          3HG1      VAL  70  -2.280  -0.002 -14.195
  564   HG21  VAL  70          3HG2      VAL  70  -0.644   0.476 -12.455
  565   HG22  VAL  70          1HG2      VAL  70  -0.058   1.800 -13.486
  566   HG23  VAL  70          2HG2      VAL  70  -0.463   2.102 -11.791
  567    H    ARG  71           H        ARG  71  -4.693   3.383 -12.096
  568    HA   ARG  71           HA       ARG  71  -6.450   3.285 -14.344
  569    HB2  ARG  71           1HB      ARG  71  -6.864   4.070 -11.447
  570    HB3  ARG  71           2HB      ARG  71  -8.176   4.140 -12.618
  571    HG2  ARG  71           1HG      ARG  71  -8.010   1.795 -13.125
  572    HG3  ARG  71           2HG      ARG  71  -6.569   1.594 -12.133
  573    HD2  ARG  71           1HD      ARG  71  -9.271   2.493 -11.046
  574    HD3  ARG  71           2HD      ARG  71  -8.744   0.804 -11.096
  575    HE   ARG  71           HE       ARG  71  -6.672   2.038  -9.807
  576   HH11  ARG  71          1HH1      ARG  71 -10.137   1.821  -9.124
  577   HH12  ARG  71          2HH1      ARG  71  -9.911   1.963  -7.407
  578   HH21  ARG  71          1HH2      ARG  71  -6.464   2.258  -7.516
  579   HH22  ARG  71          2HH2      ARG  71  -7.882   2.212  -6.530
  580    H    ILE  72           H        ILE  72  -4.905   6.088 -12.885
  581    HA   ILE  72           HA       ILE  72  -6.357   7.865 -14.814
  582    HB   ILE  72           HB       ILE  72  -5.608   9.747 -13.568
  583   HG12  ILE  72          1HG1      ILE  72  -4.352   8.006 -11.443
  584   HG13  ILE  72          2HG1      ILE  72  -3.384   8.616 -12.783
  585   HG21  ILE  72          1HG2      ILE  72  -7.680   8.547 -12.889
  586   HG22  ILE  72          2HG2      ILE  72  -6.753   7.663 -11.659
  587   HG23  ILE  72          3HG2      ILE  72  -6.929   9.425 -11.552
  588   HD11  ILE  72          3HD1      ILE  72  -3.162  10.067 -10.853
  589   HD12  ILE  72          1HD1      ILE  72  -3.989  10.938 -12.159
  590   HD13  ILE  72          2HD1      ILE  72  -4.916  10.314 -10.776
  591    H    ASN  73           H        ASN  73  -3.806   5.989 -15.206
  592    HA   ASN  73           HA       ASN  73  -2.184   5.884 -16.718
  593    HB2  ASN  73           1HB      ASN  73  -4.068   6.831 -18.110
  594    HB3  ASN  73           2HB      ASN  73  -3.323   8.418 -17.943
  595   HD21  ASN  73          2HD2      ASN  73  -3.012   8.615 -20.208
  596   HD22  ASN  73          1HD2      ASN  73  -1.817   7.658 -21.058
  597    H    GLU  74           H        GLU  74  -1.708   7.573 -14.254
  598    HA   GLU  74           HA       GLU  74   0.619   9.233 -15.100
  599    HB2  GLU  74           1HB      GLU  74  -0.769   8.877 -12.419
  600    HB3  GLU  74           2HB      GLU  74   0.664   9.865 -12.676
  601    HG2  GLU  74           1HG      GLU  74  -2.048  10.311 -13.973
  602    HG3  GLU  74           2HG      GLU  74  -1.346  11.246 -12.655
  603    H    VAL  75           H        VAL  75   0.048   6.043 -14.231
  604    HA   VAL  75           HA       VAL  75   2.973   5.529 -14.091
  605    HB   VAL  75           HB       VAL  75   0.892   4.191 -12.285
  606   HG11  VAL  75          1HG1      VAL  75   2.529   2.502 -13.056
  607   HG12  VAL  75          2HG1      VAL  75   3.869   3.615 -12.647
  608   HG13  VAL  75          3HG1      VAL  75   2.847   2.913 -11.376
  609   HG21  VAL  75          3HG2      VAL  75   2.149   5.010 -10.403
  610   HG22  VAL  75          1HG2      VAL  75   3.444   5.597 -11.458
  611   HG23  VAL  75          2HG2      VAL  75   1.876   6.415 -11.448
  612    H    LYS  76           H        LYS  76   3.544   3.818 -15.462
  613    HA   LYS  76           HA       LYS  76   1.372   2.422 -16.940
  614    HB2  LYS  76           1HB      LYS  76   4.391   2.251 -17.273
  615    HB3  LYS  76           2HB      LYS  76   3.179   1.549 -18.338
  616    HG2  LYS  76           1HG      LYS  76   3.579   4.530 -17.863
  617    HG3  LYS  76           2HG      LYS  76   4.147   3.606 -19.250
  618    HD2  LYS  76           1HD      LYS  76   1.773   3.053 -19.832
  619    HD3  LYS  76           2HD      LYS  76   1.230   4.083 -18.484
  620    HE2  LYS  76           1HE      LYS  76   2.383   6.029 -19.492
  621    HE3  LYS  76           2HE      LYS  76   2.934   5.015 -20.836
  622    HZ1  LYS  76           3HZ      LYS  76   0.938   6.247 -21.425
  623    HZ2  LYS  76           1HZ      LYS  76   0.598   4.649 -21.421
  624    HZ3  LYS  76           2HZ      LYS  76   0.093   5.595 -20.181
  625    H    SER  77           H        SER  77   0.832   0.350 -16.635
  626    HA   SER  77           HA       SER  77   1.285  -0.870 -14.116
  627    HB2  SER  77           1HB      SER  77   0.195  -2.865 -15.144
  628    HB3  SER  77           2HB      SER  77  -0.696  -1.347 -15.342
  629    HG   SER  77           HG       SER  77  -0.584  -2.576 -17.314
  630    H    GLU  78           H        GLU  78   2.956  -1.458 -17.204
  631    HA   GLU  78           HA       GLU  78   4.414  -3.742 -16.435
  632    HB2  GLU  78           1HB      GLU  78   5.777  -3.398 -18.354
  633    HB3  GLU  78           2HB      GLU  78   4.085  -3.059 -18.735
  634    HG2  GLU  78           1HG      GLU  78   4.544  -0.626 -18.399
  635    HG3  GLU  78           2HG      GLU  78   6.245  -1.015 -18.135
  636    H    GLU  79           H        GLU  79   4.914  -0.523 -15.304
  637    HA   GLU  79           HA       GLU  79   7.712  -1.003 -14.466
  638    HB2  GLU  79           1HB      GLU  79   5.782   1.300 -13.977
  639    HB3  GLU  79           2HB      GLU  79   7.442   1.251 -13.429
  640    HG2  GLU  79           1HG      GLU  79   6.588   1.156 -16.357
  641    HG3  GLU  79           2HG      GLU  79   7.106   2.599 -15.497
  642    H    VAL  80           H        VAL  80   4.568  -1.666 -13.205
  643    HA   VAL  80           HA       VAL  80   5.121  -0.956 -10.449
  644    HB   VAL  80           HB       VAL  80   2.789  -2.561 -11.556
  645   HG11  VAL  80          1HG1      VAL  80   2.997  -2.924  -9.151
  646   HG12  VAL  80          2HG1      VAL  80   3.228  -1.189  -8.872
  647   HG13  VAL  80          3HG1      VAL  80   1.662  -1.802  -9.442
  648   HG21  VAL  80          3HG2      VAL  80   1.543  -0.428 -11.410
  649   HG22  VAL  80          1HG2      VAL  80   3.034   0.416 -10.927
  650   HG23  VAL  80          2HG2      VAL  80   2.883  -0.289 -12.545
  651    HA   PRO  81           HA       PRO  81   7.083  -4.942  -9.677
  652    HB2  PRO  81           1HB      PRO  81   7.918  -4.603  -7.111
  653    HB3  PRO  81           2HB      PRO  81   8.630  -3.692  -8.479
  654    HG2  PRO  81           1HG      PRO  81   6.435  -2.788  -6.586
  655    HG3  PRO  81           2HG      PRO  81   7.942  -1.920  -7.030
  656    HD2  PRO  81           1HD      PRO  81   5.569  -1.415  -8.282
  657    HD3  PRO  81           2HD      PRO  81   7.115  -1.393  -9.176
  658    H    ALA  82           H        ALA  82   6.872  -6.824  -8.388
  659    HA   ALA  82           HA       ALA  82   4.779  -7.146  -6.403
  660    HB1  ALA  82           1HB      ALA  82   3.488  -7.352  -8.530
  661    HB2  ALA  82           2HB      ALA  82   4.593  -8.632  -9.073
  662    HB3  ALA  82           3HB      ALA  82   3.546  -8.894  -7.663
  663    H    VAL  83           H        VAL  83   4.821  -9.490  -5.574
  664    HA   VAL  83           HA       VAL  83   7.352 -10.200  -4.799
  665    HB   VAL  83           HB       VAL  83   4.960 -10.728  -3.908
  666   HG11  VAL  83          1HG1      VAL  83   4.242 -12.219  -5.767
  667   HG12  VAL  83          2HG1      VAL  83   5.467 -13.407  -5.260
  668   HG13  VAL  83          3HG1      VAL  83   4.140 -12.977  -4.168
  669   HG21  VAL  83          3HG2      VAL  83   5.859 -12.390  -2.400
  670   HG22  VAL  83          1HG2      VAL  83   7.247 -12.662  -3.486
  671   HG23  VAL  83          2HG2      VAL  83   7.007 -11.073  -2.710
  672    H    GLY  84           H        GLY  84   5.854 -11.156  -7.774
  673    HA2  GLY  84           1HA      GLY  84   8.303 -12.166  -8.842
  674    HA3  GLY  84           2HA      GLY  84   7.215 -13.511  -8.543
  675    H    ILE  85           H        ILE  85   8.234 -11.877 -11.019
  676    HA   ILE  85           HA       ILE  85   5.606 -11.768 -12.459
  677    HB   ILE  85           HB       ILE  85   7.863  -9.760 -12.800
  678   HG12  ILE  85          1HG1      ILE  85   5.128  -9.434 -11.484
  679   HG13  ILE  85          2HG1      ILE  85   6.690  -9.361 -10.671
  680   HG21  ILE  85          1HG2      ILE  85   6.575 -10.303 -14.887
  681   HG22  ILE  85          2HG2      ILE  85   5.072  -9.873 -14.046
  682   HG23  ILE  85          3HG2      ILE  85   6.322  -8.649 -14.366
  683   HD11  ILE  85          3HD1      ILE  85   5.907  -7.126 -10.922
  684   HD12  ILE  85          1HD1      ILE  85   7.284  -7.340 -12.021
  685   HD13  ILE  85          2HD1      ILE  85   5.617  -7.331 -12.653
  686    H    VAL  86           H        VAL  86   5.692 -13.494 -13.758
  687    HA   VAL  86           HA       VAL  86   7.841 -13.837 -15.717
  688    HB   VAL  86           HB       VAL  86   7.797 -16.333 -15.236
  689   HG11  VAL  86          1HG1      VAL  86   9.768 -14.892 -14.758
  690   HG12  VAL  86          2HG1      VAL  86   9.179 -14.693 -13.089
  691   HG13  VAL  86          3HG1      VAL  86   9.636 -16.295 -13.687
  692   HG21  VAL  86          3HG2      VAL  86   7.384 -17.136 -12.976
  693   HG22  VAL  86          1HG2      VAL  86   6.848 -15.529 -12.461
  694   HG23  VAL  86          2HG2      VAL  86   5.906 -16.450 -13.656
  695    HA   PRO  87           HA       PRO  87   4.229 -14.952 -18.088
  696    HB2  PRO  87           1HB      PRO  87   5.289 -16.312 -20.212
  697    HB3  PRO  87           2HB      PRO  87   5.472 -14.547 -19.977
  698    HG2  PRO  87           1HG      PRO  87   7.449 -16.735 -19.265
  699    HG3  PRO  87           2HG      PRO  87   7.760 -15.195 -20.124
  700    HD2  PRO  87           1HD      PRO  87   8.215 -15.497 -17.444
  701    HD3  PRO  87           2HD      PRO  87   7.645 -13.949 -18.132
  702    HA   PRO  88           HA       PRO  88   3.568 -19.087 -16.408
  703    HB2  PRO  88           1HB      PRO  88   0.913 -19.441 -16.944
  704    HB3  PRO  88           2HB      PRO  88   1.517 -18.306 -15.698
  705    HG2  PRO  88           1HG      PRO  88   0.686 -17.673 -18.546
  706    HG3  PRO  88           2HG      PRO  88   0.218 -16.823 -17.041
  707    HD2  PRO  88           1HD      PRO  88   2.257 -15.957 -18.654
  708    HD3  PRO  88           2HD      PRO  88   2.310 -15.763 -16.875
  709    HA   PRO  89           HA       PRO  89   4.051 -21.480 -20.202
  710    HB2  PRO  89           1HB      PRO  89   4.358 -23.990 -19.207
  711    HB3  PRO  89           2HB      PRO  89   5.578 -22.705 -18.948
  712    HG2  PRO  89           1HG      PRO  89   3.366 -23.577 -17.056
  713    HG3  PRO  89           2HG      PRO  89   5.107 -23.356 -16.691
  714    HD2  PRO  89           1HD      PRO  89   3.249 -21.406 -16.194
  715    HD3  PRO  89           2HD      PRO  89   4.913 -21.011 -16.719
  716    H    SER  90           H        SER  90   1.402 -22.030 -17.950
  717    HA   SER  90           HA       SER  90  -0.527 -22.648 -19.976
  718    HB2  SER  90           1HB      SER  90   0.671 -24.879 -19.775
  719    HB3  SER  90           2HB      SER  90   0.151 -24.933 -18.085
  720    HG   SER  90           HG       SER  90  -1.280 -26.055 -19.540
  721    H    GLY  91           H        GLY  91  -2.695 -23.010 -18.971
  722    HA2  GLY  91           1HA      GLY  91  -3.239 -22.896 -16.220
  723    HA3  GLY  91           2HA      GLY  91  -3.276 -21.237 -16.776
  724    HA   PRO  92           HA       PRO  92  -7.316 -23.554 -17.862
  725    HB2  PRO  92           1HB      PRO  92  -8.947 -23.122 -15.723
  726    HB3  PRO  92           2HB      PRO  92  -7.774 -24.473 -15.780
  727    HG2  PRO  92           1HG      PRO  92  -7.428 -21.764 -14.452
  728    HG3  PRO  92           2HG      PRO  92  -7.103 -23.385 -13.761
  729    HD2  PRO  92           1HD      PRO  92  -5.130 -21.840 -14.865
  730    HD3  PRO  92           2HD      PRO  92  -5.123 -23.625 -15.004
  731    H    SER  93           H        SER  93  -8.863 -22.459 -18.984
  732    HA   SER  93           HA       SER  93  -9.538 -19.625 -18.347
  733    HB2  SER  93           1HB      SER  93  -9.023 -18.958 -20.646
  734    HB3  SER  93           2HB      SER  93  -7.590 -19.566 -19.810
  735    HG   SER  93           HG       SER  93  -7.768 -20.413 -21.950
  736    H    SER  94           H        SER  94 -10.868 -22.552 -18.864
  737    HA   SER  94           HA       SER  94 -13.509 -21.659 -19.533
  738    HB2  SER  94           1HB      SER  94 -11.869 -23.005 -21.713
  739    HB3  SER  94           2HB      SER  94 -13.627 -23.161 -21.645
  740    HG   SER  94           HG       SER  94 -12.381 -20.621 -21.568
  741    H    GLY  95           H        GLY  95 -15.049 -23.453 -19.511
  742    HA2  GLY  95           1HA      GLY  95 -14.375 -26.190 -19.045
  743    HA3  GLY  95           2HA      GLY  95 -14.602 -25.390 -17.489
  Start of MODEL   11
    1    H1   GLY  -3           1H       GLY  -3  18.329  -1.656   9.545
    2    H2   GLY  -3           2H       GLY  -3  18.817  -3.086  10.175
    3    H3   GLY  -3           3H       GLY  -3  19.552  -2.487   8.838
    4    HA2  GLY  -3           1HA      GLY  -3  17.540  -2.725   7.544
    5    HA3  GLY  -3           2HA      GLY  -3  18.081  -4.275   8.212
    6    H    SER  -2           H        SER  -2  15.407  -3.623   7.389
    7    HA   SER  -2           HA       SER  -2  13.883  -3.573   9.981
    8    HB2  SER  -2           1HB      SER  -2  13.068  -2.490   7.266
    9    HB3  SER  -2           2HB      SER  -2  12.145  -2.376   8.774
   10    HG   SER  -2           HG       SER  -2  13.337  -0.445   8.320
   11    H    SER  -1           H        SER  -1  14.740  -5.841   7.880
   12    HA   SER  -1           HA       SER  -1  14.054  -7.939   7.403
   13    HB2  SER  -1           1HB      SER  -1  11.885  -7.464   9.469
   14    HB3  SER  -1           2HB      SER  -1  12.471  -9.025   8.894
   15    HG   SER  -1           HG       SER  -1  14.482  -8.612   9.850
   16    H    GLY   0           H        GLY   0  11.853  -5.472   6.621
   17    HA2  GLY   0           1HA      GLY   0   9.895  -7.171   5.221
   18    HA3  GLY   0           2HA      GLY   0   9.959  -5.397   5.235
   19    H    SER   1           H        SER   1   9.625  -7.349   3.026
   20    HA   SER   1           HA       SER   1  11.837  -6.447   1.214
   21    HB2  SER   1           1HB      SER   1  11.715  -8.690   0.195
   22    HB3  SER   1           2HB      SER   1  12.189  -8.740   1.897
   23    HG   SER   1           HG       SER   1  10.598 -10.338   1.385
   24    H    SER   2           H        SER   2   8.643  -5.892   1.666
   25    HA   SER   2           HA       SER   2   7.569  -6.374  -0.984
   26    HB2  SER   2           1HB      SER   2   6.569  -4.661   1.313
   27    HB3  SER   2           2HB      SER   2   5.654  -5.051  -0.156
   28    HG   SER   2           HG       SER   2   5.155  -6.491   1.584
   29    H    GLY   3           H        GLY   3   8.525  -5.352  -2.668
   30    HA2  GLY   3           1HA      GLY   3   9.850  -2.831  -2.468
   31    HA3  GLY   3           2HA      GLY   3   9.538  -3.747  -3.959
   32    H    ILE   4           H        ILE   4   6.519  -3.433  -3.084
   33    HA   ILE   4           HA       ILE   4   5.962  -1.238  -4.840
   34    HB   ILE   4           HB       ILE   4   4.494  -3.210  -4.492
   35   HG12  ILE   4          1HG1      ILE   4   2.332  -2.056  -4.503
   36   HG13  ILE   4          2HG1      ILE   4   3.088  -0.546  -4.012
   37   HG21  ILE   4          1HG2      ILE   4   4.646  -3.367  -2.008
   38   HG22  ILE   4          2HG2      ILE   4   3.672  -1.888  -1.872
   39   HG23  ILE   4          3HG2      ILE   4   2.979  -3.352  -2.589
   40   HD11  ILE   4          3HD1      ILE   4   2.603  -0.679  -6.448
   41   HD12  ILE   4          1HD1      ILE   4   4.337  -0.496  -6.158
   42   HD13  ILE   4          2HD1      ILE   4   3.662  -2.090  -6.587
   43    H    LYS   5           H        LYS   5   6.285  -1.315  -1.332
   44    HA   LYS   5           HA       LYS   5   5.184   1.317  -0.872
   45    HB2  LYS   5           1HB      LYS   5   5.944  -0.849   0.677
   46    HB3  LYS   5           2HB      LYS   5   7.248   0.264   1.029
   47    HG2  LYS   5           1HG      LYS   5   4.290   1.004   1.202
   48    HG3  LYS   5           2HG      LYS   5   5.148   0.252   2.535
   49    HD2  LYS   5           1HD      LYS   5   5.976   2.924   1.319
   50    HD3  LYS   5           2HD      LYS   5   4.884   2.731   2.692
   51    HE2  LYS   5           1HE      LYS   5   6.780   1.303   3.765
   52    HE3  LYS   5           2HE      LYS   5   7.833   2.038   2.547
   53    HZ1  LYS   5           3HZ      LYS   5   7.851   3.343   4.568
   54    HZ2  LYS   5           1HZ      LYS   5   7.083   4.232   3.429
   55    HZ3  LYS   5           2HZ      LYS   5   6.223   3.463   4.603
   56    H    ASN   6           H        ASN   6   8.428   0.137  -1.652
   57    HA   ASN   6           HA       ASN   6   9.669   2.785  -1.556
   58    HB2  ASN   6           1HB      ASN   6  10.926   0.682  -1.123
   59    HB3  ASN   6           2HB      ASN   6  10.626   0.172  -2.786
   60   HD21  ASN   6          2HD2      ASN   6  12.434   0.494  -4.062
   61   HD22  ASN   6          1HD2      ASN   6  13.533   1.850  -3.891
   62    H    PHE   7           H        PHE   7   8.052   0.800  -4.045
   63    HA   PHE   7           HA       PHE   7   8.930   2.258  -6.337
   64    HB2  PHE   7           1HB      PHE   7   7.899   0.029  -6.451
   65    HB3  PHE   7           2HB      PHE   7   6.384   0.681  -5.841
   66    HD1  PHE   7           2HD      PHE   7   8.721   0.749  -8.749
   67    HD2  PHE   7           1HD      PHE   7   4.811   1.790  -7.261
   68    HE1  PHE   7           2HE      PHE   7   7.984   1.296 -11.052
   69    HE2  PHE   7           1HE      PHE   7   4.081   2.340  -9.561
   70    HZ   PHE   7           HZ       PHE   7   5.660   2.084 -11.470
   71    H    LEU   8           H        LEU   8   5.962   2.664  -4.298
   72    HA   LEU   8           HA       LEU   8   5.012   4.952  -5.721
   73    HB2  LEU   8           1HB      LEU   8   3.657   3.591  -4.141
   74    HB3  LEU   8           2HB      LEU   8   4.636   4.184  -2.791
   75    HG   LEU   8           HG       LEU   8   3.840   6.457  -3.106
   76   HD11  LEU   8          1HD1      LEU   8   3.553   6.575  -5.560
   77   HD12  LEU   8          2HD1      LEU   8   2.194   5.435  -5.464
   78   HD13  LEU   8          3HD1      LEU   8   2.082   7.053  -4.730
   79   HD21  LEU   8          3HD2      LEU   8   1.476   6.145  -2.524
   80   HD22  LEU   8          1HD2      LEU   8   1.510   4.497  -3.188
   81   HD23  LEU   8          2HD2      LEU   8   2.470   4.902  -1.748
   82    H    TYR   9           H        TYR   9   7.185   4.712  -2.880
   83    HA   TYR   9           HA       TYR   9   7.514   7.493  -2.473
   84    HB2  TYR   9           1HB      TYR   9   8.121   5.648  -0.903
   85    HB3  TYR   9           2HB      TYR   9   9.495   5.250  -1.923
   86    HD1  TYR   9           2HD      TYR   9  11.471   6.743  -2.033
   87    HD2  TYR   9           1HD      TYR   9   8.101   7.643   0.505
   88    HE1  TYR   9           2HE      TYR   9  12.834   8.439  -0.824
   89    HE2  TYR   9           1HE      TYR   9   9.461   9.331   1.721
   90    HH   TYR   9           HH       TYR   9  11.509  10.372   1.897
   91    H    ALA  10           H        ALA  10   9.441   5.266  -4.521
   92    HA   ALA  10           HA       ALA  10  11.289   7.248  -5.485
   93    HB1  ALA  10           1HB      ALA  10  11.726   4.816  -5.516
   94    HB2  ALA  10           2HB      ALA  10  10.405   4.581  -6.684
   95    HB3  ALA  10           3HB      ALA  10  11.849   5.506  -7.146
   96    H    TRP  11           H        TRP  11   8.178   6.042  -6.845
   97    HA   TRP  11           HA       TRP  11   8.189   7.582  -9.241
   98    HB2  TRP  11           1HB      TRP  11   6.673   5.715  -8.812
   99    HB3  TRP  11           2HB      TRP  11   5.920   6.570  -7.485
  100    HD1  TRP  11           HD       TRP  11   5.904   6.399 -11.286
  101    HE1  TRP  11           1HE      TRP  11   3.899   7.739 -12.188
  102    HE3  TRP  11           3HE      TRP  11   4.319   8.553  -6.924
  103    HZ2  TRP  11           2HZ      TRP  11   2.079   9.734 -11.193
  104    HZ3  TRP  11           3HZ      TRP  11   2.410  10.126  -6.920
  105    HH2  TRP  11           HH       TRP  11   1.286  10.741  -9.053
  106    H    CYS  12           H        CYS  12   6.843   8.348  -6.021
  107    HA   CYS  12           HA       CYS  12   6.027  11.048  -6.533
  108    HB2  CYS  12           1HB      CYS  12   7.047   9.660  -4.018
  109    HB3  CYS  12           2HB      CYS  12   6.385  11.295  -4.036
  110    HG   CYS  12           HG       CYS  12   4.940   8.438  -4.778
  111    H    GLY  13           H        GLY  13   9.214   9.804  -5.431
  112    HA2  GLY  13           1HA      GLY  13  10.484  12.329  -5.134
  113    HA3  GLY  13           2HA      GLY  13  11.299  10.761  -5.342
  114    H    LYS  14           H        LYS  14   9.996  10.409  -8.064
  115    HA   LYS  14           HA       LYS  14  11.858  12.021  -9.689
  116    HB2  LYS  14           1HB      LYS  14   9.748   9.919 -10.338
  117    HB3  LYS  14           2HB      LYS  14  10.699  10.729 -11.575
  118    HG2  LYS  14           1HG      LYS  14  11.927   9.077  -9.326
  119    HG3  LYS  14           2HG      LYS  14  11.531   8.462 -10.932
  120    HD2  LYS  14           1HD      LYS  14  13.083  10.137 -11.943
  121    HD3  LYS  14           2HD      LYS  14  13.533  10.680 -10.309
  122    HE2  LYS  14           1HE      LYS  14  14.291   8.384  -9.751
  123    HE3  LYS  14           2HE      LYS  14  13.843   7.836 -11.371
  124    HZ1  LYS  14           3HZ      LYS  14  16.207   8.341 -11.234
  125    HZ2  LYS  14           1HZ      LYS  14  15.496   9.375 -12.278
  126    HZ3  LYS  14           2HZ      LYS  14  15.913   9.881 -10.780
  127    H    ARG  15           H        ARG  15   8.837  12.593  -8.387
  128    HA   ARG  15           HA       ARG  15   8.073  14.633 -10.435
  129    HB2  ARG  15           1HB      ARG  15   6.375  12.957  -8.552
  130    HB3  ARG  15           2HB      ARG  15   5.756  14.230  -9.618
  131    HG2  ARG  15           1HG      ARG  15   6.547  12.949 -11.600
  132    HG3  ARG  15           2HG      ARG  15   7.167  11.688 -10.552
  133    HD2  ARG  15           1HD      ARG  15   5.061  10.969 -11.424
  134    HD3  ARG  15           2HD      ARG  15   4.904  11.234  -9.693
  135    HE   ARG  15           HE       ARG  15   3.796  13.399 -10.188
  136   HH11  ARG  15          1HH1      ARG  15   3.767  11.067 -12.872
  137   HH12  ARG  15          2HH1      ARG  15   2.241  11.686 -13.469
  138   HH21  ARG  15          1HH2      ARG  15   1.866  14.114 -11.053
  139   HH22  ARG  15          2HH2      ARG  15   1.163  13.274 -12.413
  140    H    LYS  16           H        LYS  16   9.661  14.605  -7.641
  141    HA   LYS  16           HA       LYS  16  10.097  16.036  -5.955
  142    HB2  LYS  16           1HB      LYS  16   8.390  18.090  -7.408
  143    HB3  LYS  16           2HB      LYS  16   9.604  18.392  -6.168
  144    HG2  LYS  16           1HG      LYS  16  11.351  17.390  -7.680
  145    HG3  LYS  16           2HG      LYS  16  10.141  17.301  -8.963
  146    HD2  LYS  16           1HD      LYS  16  11.139  19.812  -7.558
  147    HD3  LYS  16           2HD      LYS  16  11.555  19.308  -9.190
  148    HE2  LYS  16           1HE      LYS  16   8.760  20.102  -8.236
  149    HE3  LYS  16           2HE      LYS  16   9.877  21.149  -9.107
  150    HZ1  LYS  16           3HZ      LYS  16   8.294  20.167 -10.622
  151    HZ2  LYS  16           1HZ      LYS  16   9.780  19.599 -10.982
  152    HZ3  LYS  16           2HZ      LYS  16   8.707  18.648 -10.191
  153    H    MET  17           H        MET  17   7.865  14.233  -5.669
  154    HA   MET  17           HA       MET  17   6.198  15.595  -3.575
  155    HB2  MET  17           1HB      MET  17   5.537  13.218  -5.364
  156    HB3  MET  17           2HB      MET  17   4.489  13.861  -4.101
  157    HG2  MET  17           1HG      MET  17   4.503  16.075  -5.323
  158    HG3  MET  17           2HG      MET  17   5.334  15.270  -6.650
  159    HE1  MET  17           3HE      MET  17   2.615  12.603  -7.766
  160    HE2  MET  17           1HE      MET  17   4.328  13.050  -7.815
  161    HE3  MET  17           2HE      MET  17   3.645  12.294  -6.361
  162    H    THR  18           H        THR  18   5.348  14.002  -1.974
  163    HA   THR  18           HA       THR  18   7.065  11.665  -1.341
  164    HB   THR  18           HB       THR  18   6.368  13.813   0.702
  165    HG1  THR  18           1HG      THR  18   8.591  14.222   0.653
  166   HG21  THR  18          3HG2      THR  18   7.925  12.531   2.161
  167   HG22  THR  18          1HG2      THR  18   6.526  11.556   1.707
  168   HG23  THR  18          2HG2      THR  18   8.088  11.293   0.898
  169    HA   PRO  19           HA       PRO  19   2.783  10.354  -0.573
  170    HB2  PRO  19           1HB      PRO  19   3.168   7.731   0.046
  171    HB3  PRO  19           2HB      PRO  19   3.356   8.366  -1.617
  172    HG2  PRO  19           1HG      PRO  19   5.521   7.810   0.428
  173    HG3  PRO  19           2HG      PRO  19   5.492   7.372  -1.305
  174    HD2  PRO  19           1HD      PRO  19   6.776   9.603  -0.294
  175    HD3  PRO  19           2HD      PRO  19   6.088   9.545  -1.939
  176    H    ALA  20           H        ALA  20   1.528  10.447   1.211
  177    HA   ALA  20           HA       ALA  20   2.876  10.503   3.884
  178    HB1  ALA  20           1HB      ALA  20   2.079  12.678   3.077
  179    HB2  ALA  20           2HB      ALA  20   0.442  12.013   2.857
  180    HB3  ALA  20           3HB      ALA  20   1.148  12.128   4.486
  181    H    TYR  21           H        TYR  21   2.454   8.842   5.105
  182    HA   TYR  21           HA       TYR  21   0.041   7.191   4.676
  183    HB2  TYR  21           1HB      TYR  21   2.594   6.648   6.226
  184    HB3  TYR  21           2HB      TYR  21   1.271   5.512   6.020
  185    HD1  TYR  21           2HD      TYR  21   4.086   7.211   4.324
  186    HD2  TYR  21           1HD      TYR  21   0.881   4.361   3.895
  187    HE1  TYR  21           2HE      TYR  21   5.048   6.455   2.165
  188    HE2  TYR  21           1HE      TYR  21   1.852   3.582   1.745
  189    HH   TYR  21           HH       TYR  21   3.492   3.930   0.154
  190    H    GLU  22           H        GLU  22  -1.309   6.482   6.319
  191    HA   GLU  22           HA       GLU  22  -0.973   7.467   9.084
  192    HB2  GLU  22           1HB      GLU  22  -2.489   9.078   7.965
  193    HB3  GLU  22           2HB      GLU  22  -3.536   7.755   7.454
  194    HG2  GLU  22           1HG      GLU  22  -4.467   8.936   9.378
  195    HG3  GLU  22           2HG      GLU  22  -4.110   7.270   9.800
  196    H    ILE  23           H        ILE  23  -2.024   6.077  10.639
  197    HA   ILE  23           HA       ILE  23  -2.694   3.335   9.641
  198    HB   ILE  23           HB       ILE  23  -0.394   4.097  11.475
  199   HG12  ILE  23          1HG1      ILE  23  -0.543   2.578   8.831
  200   HG13  ILE  23          2HG1      ILE  23   0.110   4.201   9.072
  201   HG21  ILE  23          1HG2      ILE  23  -1.522   2.155  12.504
  202   HG22  ILE  23          2HG2      ILE  23  -1.435   1.277  10.955
  203   HG23  ILE  23          3HG2      ILE  23   0.032   1.708  11.859
  204   HD11  ILE  23          3HD1      ILE  23   1.965   2.777   8.844
  205   HD12  ILE  23          1HD1      ILE  23   1.884   3.194  10.567
  206   HD13  ILE  23          2HD1      ILE  23   1.324   1.597   9.993
  207    H    ARG  24           H        ARG  24  -3.875   2.040  10.981
  208    HA   ARG  24           HA       ARG  24  -4.753   3.042  13.641
  209    HB2  ARG  24           1HB      ARG  24  -6.411   3.772  11.894
  210    HB3  ARG  24           2HB      ARG  24  -6.663   2.072  11.482
  211    HG2  ARG  24           1HG      ARG  24  -7.534   1.599  13.712
  212    HG3  ARG  24           2HG      ARG  24  -7.146   3.244  14.256
  213    HD2  ARG  24           1HD      ARG  24  -8.765   4.182  12.678
  214    HD3  ARG  24           2HD      ARG  24  -9.095   2.568  12.013
  215    HE   ARG  24           HE       ARG  24  -9.548   2.468  14.807
  216   HH11  ARG  24          1HH1      ARG  24 -11.057   3.987  11.987
  217   HH12  ARG  24          2HH1      ARG  24 -12.634   3.984  12.718
  218   HH21  ARG  24          1HH2      ARG  24 -11.606   2.505  15.691
  219   HH22  ARG  24          2HH2      ARG  24 -12.937   3.160  14.787
  220    H    ALA  25           H        ALA  25  -5.038   1.443  15.116
  221    HA   ALA  25           HA       ALA  25  -4.287  -1.331  14.393
  222    HB1  ALA  25           1HB      ALA  25  -3.220  -0.241  16.337
  223    HB2  ALA  25           2HB      ALA  25  -4.812  -0.027  17.100
  224    HB3  ALA  25           3HB      ALA  25  -4.168  -1.658  16.829
  225    H    VAL  26           H        VAL  26  -5.616  -3.080  14.519
  226    HA   VAL  26           HA       VAL  26  -8.433  -2.882  15.414
  227    HB   VAL  26           HB       VAL  26  -9.279  -3.831  13.288
  228   HG11  VAL  26          1HG1      VAL  26  -9.470  -1.398  13.762
  229   HG12  VAL  26          2HG1      VAL  26  -7.992  -1.124  12.806
  230   HG13  VAL  26          3HG1      VAL  26  -9.442  -1.803  12.042
  231   HG21  VAL  26          3HG2      VAL  26  -7.992  -3.685  11.211
  232   HG22  VAL  26          1HG2      VAL  26  -6.562  -3.114  12.095
  233   HG23  VAL  26          2HG2      VAL  26  -7.187  -4.756  12.358
  234    H    GLY  27           H        GLY  27  -9.511  -5.172  14.938
  235    HA2  GLY  27           1HA      GLY  27  -9.301  -7.542  14.877
  236    HA3  GLY  27           2HA      GLY  27  -7.583  -7.423  15.287
  237    H    ASN  28           H        ASN  28  -7.665  -8.858  16.964
  238    HA   ASN  28           HA       ASN  28  -9.447  -8.278  19.308
  239    HB2  ASN  28           1HB      ASN  28  -8.413 -10.925  18.210
  240    HB3  ASN  28           2HB      ASN  28  -9.330 -10.745  19.705
  241   HD21  ASN  28          2HD2      ASN  28  -9.691 -11.510  16.458
  242   HD22  ASN  28          1HD2      ASN  28 -11.395 -11.125  16.309
  243    H    LYS  29           H        LYS  29  -8.628  -8.898  21.421
  244    HA   LYS  29           HA       LYS  29  -5.989  -7.981  21.961
  245    HB2  LYS  29           1HB      LYS  29  -6.451  -8.577  24.258
  246    HB3  LYS  29           2HB      LYS  29  -7.862  -7.817  23.526
  247    HG2  LYS  29           1HG      LYS  29  -8.908 -10.077  23.230
  248    HG3  LYS  29           2HG      LYS  29  -7.492 -10.816  24.002
  249    HD2  LYS  29           1HD      LYS  29  -7.938  -9.520  26.069
  250    HD3  LYS  29           2HD      LYS  29  -9.356  -8.776  25.296
  251    HE2  LYS  29           1HE      LYS  29 -10.369 -11.031  24.996
  252    HE3  LYS  29           2HE      LYS  29  -8.961 -11.770  25.770
  253    HZ1  LYS  29           3HZ      LYS  29 -10.779 -11.475  27.342
  254    HZ2  LYS  29           1HZ      LYS  29  -9.516 -10.545  27.799
  255    HZ3  LYS  29           2HZ      LYS  29 -10.820  -9.862  27.083
  256    H    ASN  30           H        ASN  30  -7.007 -11.195  21.127
  257    HA   ASN  30           HA       ASN  30  -4.417 -12.397  21.926
  258    HB2  ASN  30           1HB      ASN  30  -6.621 -13.488  22.421
  259    HB3  ASN  30           2HB      ASN  30  -6.893 -13.656  20.686
  260   HD21  ASN  30          2HD2      ASN  30  -6.576 -15.812  20.153
  261   HD22  ASN  30          1HD2      ASN  30  -5.253 -16.791  20.761
  262    H    ARG  31           H        ARG  31  -5.679 -10.856  19.157
  263    HA   ARG  31           HA       ARG  31  -3.398 -11.537  17.521
  264    HB2  ARG  31           1HB      ARG  31  -4.838 -13.514  17.101
  265    HB3  ARG  31           2HB      ARG  31  -6.129 -12.458  16.525
  266    HG2  ARG  31           1HG      ARG  31  -4.693 -11.665  14.680
  267    HG3  ARG  31           2HG      ARG  31  -3.327 -12.604  15.297
  268    HD2  ARG  31           1HD      ARG  31  -5.970 -13.801  14.366
  269    HD3  ARG  31           2HD      ARG  31  -4.525 -13.643  13.351
  270    HE   ARG  31           HE       ARG  31  -3.655 -14.987  15.628
  271   HH11  ARG  31          1HH1      ARG  31  -5.997 -15.692  13.070
  272   HH12  ARG  31          2HH1      ARG  31  -5.789 -17.411  13.232
  273   HH21  ARG  31          1HH2      ARG  31  -3.444 -17.210  15.791
  274   HH22  ARG  31          2HH2      ARG  31  -4.361 -18.254  14.749
  275    H    GLN  32           H        GLN  32  -2.921  -9.437  17.333
  276    HA   GLN  32           HA       GLN  32  -4.974  -7.433  16.616
  277    HB2  GLN  32           1HB      GLN  32  -3.404  -7.103  18.520
  278    HB3  GLN  32           2HB      GLN  32  -2.044  -7.096  17.388
  279    HG2  GLN  32           1HG      GLN  32  -2.930  -5.084  16.290
  280    HG3  GLN  32           2HG      GLN  32  -4.377  -5.124  17.303
  281   HE21  GLN  32          2HE2      GLN  32  -1.849  -3.215  16.942
  282   HE22  GLN  32          1HE2      GLN  32  -1.469  -2.868  18.623
  283    H    LYS  33           H        LYS  33  -4.777  -6.031  14.898
  284    HA   LYS  33           HA       LYS  33  -2.933  -6.608  12.638
  285    HB2  LYS  33           1HB      LYS  33  -5.982  -6.621  12.643
  286    HB3  LYS  33           2HB      LYS  33  -5.049  -6.323  11.176
  287    HG2  LYS  33           1HG      LYS  33  -3.932  -8.541  11.458
  288    HG3  LYS  33           2HG      LYS  33  -4.945  -8.849  12.885
  289    HD2  LYS  33           1HD      LYS  33  -6.980  -8.640  11.483
  290    HD3  LYS  33           2HD      LYS  33  -5.966  -8.328  10.056
  291    HE2  LYS  33           1HE      LYS  33  -4.883 -10.552  10.347
  292    HE3  LYS  33           2HE      LYS  33  -5.897 -10.862  11.763
  293    HZ1  LYS  33           3HZ      LYS  33  -6.820 -11.887   9.766
  294    HZ2  LYS  33           1HZ      LYS  33  -7.848 -10.740  10.310
  295    HZ3  LYS  33           2HZ      LYS  33  -6.910 -10.448   9.001
  296    H    PHE  34           H        PHE  34  -3.111  -4.870  10.969
  297    HA   PHE  34           HA       PHE  34  -3.776  -2.187  12.098
  298    HB2  PHE  34           1HB      PHE  34  -1.190  -3.007  10.718
  299    HB3  PHE  34           2HB      PHE  34  -1.655  -1.353  11.084
  300    HD1  PHE  34           2HD      PHE  34  -1.837  -0.561  13.455
  301    HD2  PHE  34           1HD      PHE  34  -0.321  -4.470  12.458
  302    HE1  PHE  34           2HE      PHE  34  -0.805  -0.739  15.709
  303    HE2  PHE  34           1HE      PHE  34   0.729  -4.638  14.700
  304    HZ   PHE  34           HZ       PHE  34   0.506  -2.767  16.323
  305    H    MET  35           H        MET  35  -4.630  -0.796  10.747
  306    HA   MET  35           HA       MET  35  -4.936  -1.415   7.835
  307    HB2  MET  35           1HB      MET  35  -6.504   0.599   9.488
  308    HB3  MET  35           2HB      MET  35  -6.811   0.086   7.825
  309    HG2  MET  35           1HG      MET  35  -7.129  -2.288   8.823
  310    HG3  MET  35           2HG      MET  35  -7.212  -1.474  10.387
  311    HE1  MET  35           3HE      MET  35 -10.430   0.758   9.991
  312    HE2  MET  35           1HE      MET  35  -9.021   0.361  10.997
  313    HE3  MET  35           2HE      MET  35  -8.814   1.296   9.495
  314    H    CYS  36           H        CYS  36  -4.521   0.323   6.368
  315    HA   CYS  36           HA       CYS  36  -3.110   2.696   7.403
  316    HB2  CYS  36           1HB      CYS  36  -1.405   0.903   7.101
  317    HB3  CYS  36           2HB      CYS  36  -1.878   0.767   5.393
  318    HG   CYS  36           HG       CYS  36  -0.981   3.589   6.912
  319    H    GLU  37           H        GLU  37  -3.074   4.430   6.077
  320    HA   GLU  37           HA       GLU  37  -4.589   4.372   3.506
  321    HB2  GLU  37           1HB      GLU  37  -4.796   6.450   5.728
  322    HB3  GLU  37           2HB      GLU  37  -5.536   6.571   4.128
  323    HG2  GLU  37           1HG      GLU  37  -6.921   4.568   4.618
  324    HG3  GLU  37           2HG      GLU  37  -6.181   4.439   6.215
  325    H    VAL  38           H        VAL  38  -3.544   5.512   1.884
  326    HA   VAL  38           HA       VAL  38  -1.263   7.295   2.649
  327    HB   VAL  38           HB       VAL  38  -0.435   5.114   1.835
  328   HG11  VAL  38          1HG1      VAL  38  -2.166   4.618   0.120
  329   HG12  VAL  38          2HG1      VAL  38  -1.514   5.931  -0.888
  330   HG13  VAL  38          3HG1      VAL  38  -0.515   4.524  -0.510
  331   HG21  VAL  38          3HG2      VAL  38   1.252   6.060   0.314
  332   HG22  VAL  38          1HG2      VAL  38   0.251   7.485   0.029
  333   HG23  VAL  38          2HG2      VAL  38   0.926   7.184   1.646
  334    H    ARG  39           H        ARG  39  -1.028   9.157   1.666
  335    HA   ARG  39           HA       ARG  39  -2.987  10.014  -0.438
  336    HB2  ARG  39           1HB      ARG  39  -2.014  11.522   2.035
  337    HB3  ARG  39           2HB      ARG  39  -2.880  12.257   0.707
  338    HG2  ARG  39           1HG      ARG  39  -4.414  11.947   2.466
  339    HG3  ARG  39           2HG      ARG  39  -4.866  10.885   1.145
  340    HD2  ARG  39           1HD      ARG  39  -5.152   9.923   3.460
  341    HD3  ARG  39           2HD      ARG  39  -4.207   8.934   2.374
  342    HE   ARG  39           HE       ARG  39  -2.256   9.349   3.589
  343   HH11  ARG  39          1HH1      ARG  39  -4.862  11.255   5.055
  344   HH12  ARG  39          2HH1      ARG  39  -3.849  11.757   6.375
  345   HH21  ARG  39          1HH2      ARG  39  -1.029  10.090   5.191
  346   HH22  ARG  39          2HH2      ARG  39  -1.685  11.074   6.480
  347    H    VAL  40           H        VAL  40  -2.218  11.652  -1.837
  348    HA   VAL  40           HA       VAL  40   0.628  12.475  -1.748
  349    HB   VAL  40           HB       VAL  40  -0.628  11.265  -4.248
  350   HG11  VAL  40          1HG1      VAL  40   0.956  13.061  -4.795
  351   HG12  VAL  40          2HG1      VAL  40   2.183  12.343  -3.729
  352   HG13  VAL  40          3HG1      VAL  40   1.659  11.501  -5.205
  353   HG21  VAL  40          3HG2      VAL  40   1.156   9.503  -4.043
  354   HG22  VAL  40          1HG2      VAL  40   1.588  10.156  -2.457
  355   HG23  VAL  40          2HG2      VAL  40  -0.014   9.429  -2.723
  356    H    GLU  41           H        GLU  41   0.882  14.555  -2.415
  357    HA   GLU  41           HA       GLU  41  -1.348  16.272  -2.514
  358    HB2  GLU  41           1HB      GLU  41   0.933  16.898  -1.771
  359    HB3  GLU  41           2HB      GLU  41   1.510  16.784  -3.434
  360    HG2  GLU  41           1HG      GLU  41   1.147  19.107  -2.802
  361    HG3  GLU  41           2HG      GLU  41   0.047  18.660  -4.094
  362    H    GLY  42           H        GLY  42  -2.408  17.374  -4.109
  363    HA2  GLY  42           1HA      GLY  42  -3.125  17.974  -6.234
  364    HA3  GLY  42           2HA      GLY  42  -1.791  17.045  -6.959
  365    H    PHE  43           H        PHE  43  -3.205  14.819  -4.987
  366    HA   PHE  43           HA       PHE  43  -5.235  13.964  -7.020
  367    HB2  PHE  43           1HB      PHE  43  -3.484  12.263  -5.211
  368    HB3  PHE  43           2HB      PHE  43  -4.695  11.664  -6.334
  369    HD1  PHE  43           1HD      PHE  43  -4.377  12.029  -8.845
  370    HD2  PHE  43           2HD      PHE  43  -1.276  12.866  -5.969
  371    HE1  PHE  43           1HE      PHE  43  -2.684  12.027 -10.660
  372    HE2  PHE  43           2HE      PHE  43   0.407  12.860  -7.781
  373    HZ   PHE  43           HZ       PHE  43  -0.292  12.427 -10.136
  374    H    ASN  44           H        ASN  44  -7.259  13.630  -6.374
  375    HA   ASN  44           HA       ASN  44  -8.039  14.253  -3.631
  376    HB2  ASN  44           1HB      ASN  44  -9.662  13.456  -6.082
  377    HB3  ASN  44           2HB      ASN  44 -10.342  13.992  -4.546
  378   HD21  ASN  44          2HD2      ASN  44 -10.021  16.241  -3.865
  379   HD22  ASN  44          1HD2      ASN  44  -9.602  17.449  -5.066
  380    H    TYR  45           H        TYR  45  -7.296  11.293  -5.263
  381    HA   TYR  45           HA       TYR  45  -8.960   9.580  -3.558
  382    HB2  TYR  45           1HB      TYR  45  -8.418   9.138  -5.979
  383    HB3  TYR  45           2HB      TYR  45  -6.746   8.861  -5.503
  384    HD1  TYR  45           1HD      TYR  45 -10.260   7.716  -4.864
  385    HD2  TYR  45           2HD      TYR  45  -6.080   6.664  -4.836
  386    HE1  TYR  45           1HE      TYR  45 -10.862   5.354  -4.380
  387    HE2  TYR  45           2HE      TYR  45  -6.675   4.298  -4.338
  388    HH   TYR  45           HH       TYR  45 -10.090   3.225  -4.018
  389    H    ALA  46           H        ALA  46  -8.078   7.927  -2.179
  390    HA   ALA  46           HA       ALA  46  -5.263   8.186  -1.308
  391    HB1  ALA  46           1HB      ALA  46  -6.584   9.486   0.339
  392    HB2  ALA  46           2HB      ALA  46  -7.633   8.078   0.615
  393    HB3  ALA  46           3HB      ALA  46  -5.917   8.009   1.065
  394    H    GLY  47           H        GLY  47  -4.300   6.251  -1.215
  395    HA2  GLY  47           1HA      GLY  47  -5.806   3.808  -1.886
  396    HA3  GLY  47           2HA      GLY  47  -4.050   3.935  -1.676
  397    H    MET  48           H        MET  48  -6.090   2.047  -0.591
  398    HA   MET  48           HA       MET  48  -5.552   2.352   2.345
  399    HB2  MET  48           1HB      MET  48  -8.150   1.494   1.012
  400    HB3  MET  48           2HB      MET  48  -7.838   1.561   2.752
  401    HG2  MET  48           1HG      MET  48  -7.393   4.025   2.522
  402    HG3  MET  48           2HG      MET  48  -7.888   3.931   0.838
  403    HE1  MET  48           3HE      MET  48 -11.674   3.296   0.932
  404    HE2  MET  48           1HE      MET  48 -10.243   3.692  -0.045
  405    HE3  MET  48           2HE      MET  48 -10.399   2.084   0.698
  406    H    GLY  49           H        GLY  49  -4.965   0.591   3.429
  407    HA2  GLY  49           1HA      GLY  49  -5.279  -2.148   2.299
  408    HA3  GLY  49           2HA      GLY  49  -3.647  -1.557   2.598
  409    H    ASN  50           H        ASN  50  -4.346  -3.785   3.854
  410    HA   ASN  50           HA       ASN  50  -3.926  -2.995   6.601
  411    HB2  ASN  50           1HB      ASN  50  -5.741  -4.230   7.619
  412    HB3  ASN  50           2HB      ASN  50  -6.418  -3.049   6.509
  413   HD21  ASN  50          2HD2      ASN  50  -7.621  -3.809   4.681
  414   HD22  ASN  50          1HD2      ASN  50  -7.972  -5.513   4.458
  415    H    SER  51           H        SER  51  -3.274  -4.812   7.997
  416    HA   SER  51           HA       SER  51  -2.796  -7.456   6.986
  417    HB2  SER  51           1HB      SER  51  -1.034  -6.067   5.711
  418    HB3  SER  51           2HB      SER  51  -0.242  -5.841   7.273
  419    HG   SER  51           HG       SER  51   0.137  -7.798   5.695
  420    H    THR  52           H        THR  52  -0.810  -8.400   8.528
  421    HA   THR  52           HA       THR  52  -1.728  -8.175  11.312
  422    HB   THR  52           HB       THR  52   0.086  -9.826  11.729
  423    HG1  THR  52           1HG      THR  52   1.166 -10.622   9.859
  424   HG21  THR  52          3HG2      THR  52  -0.901 -11.684  10.502
  425   HG22  THR  52          1HG2      THR  52  -2.183 -10.587  11.041
  426   HG23  THR  52          2HG2      THR  52  -1.662 -10.577   9.340
  427    H    ASN  53           H        ASN  53   0.464  -6.427   9.422
  428    HA   ASN  53           HA       ASN  53   1.820  -5.241  11.764
  429    HB2  ASN  53           1HB      ASN  53   4.021  -5.709  10.881
  430    HB3  ASN  53           2HB      ASN  53   3.151  -7.227  11.081
  431   HD21  ASN  53          2HD2      ASN  53   2.356  -8.345   9.107
  432   HD22  ASN  53          1HD2      ASN  53   3.081  -7.943   7.561
  433    H    LYS  54           H        LYS  54   2.827  -3.246  11.366
  434    HA   LYS  54           HA       LYS  54   1.350  -1.506   9.684
  435    HB2  LYS  54           1HB      LYS  54   3.995  -1.142  11.163
  436    HB3  LYS  54           2HB      LYS  54   3.084   0.172  10.421
  437    HG2  LYS  54           1HG      LYS  54   1.116  -0.399  11.876
  438    HG3  LYS  54           2HG      LYS  54   2.105  -1.629  12.684
  439    HD2  LYS  54           1HD      LYS  54   3.737   0.122  13.355
  440    HD3  LYS  54           2HD      LYS  54   2.727   1.358  12.574
  441    HE2  LYS  54           1HE      LYS  54   0.842   0.771  14.084
  442    HE3  LYS  54           2HE      LYS  54   1.836  -0.474  14.850
  443    HZ1  LYS  54           3HZ      LYS  54   1.847   1.578  16.140
  444    HZ2  LYS  54           1HZ      LYS  54   3.354   1.279  15.589
  445    HZ3  LYS  54           2HZ      LYS  54   2.438   2.436  14.882
  446    H    LYS  55           H        LYS  55   4.399  -3.142   8.985
  447    HA   LYS  55           HA       LYS  55   5.190  -1.389   6.797
  448    HB2  LYS  55           1HB      LYS  55   6.077  -4.175   7.656
  449    HB3  LYS  55           2HB      LYS  55   6.837  -3.242   6.365
  450    HG2  LYS  55           1HG      LYS  55   7.441  -1.450   7.917
  451    HG3  LYS  55           2HG      LYS  55   6.600  -2.248   9.247
  452    HD2  LYS  55           1HD      LYS  55   9.049  -3.356   7.808
  453    HD3  LYS  55           2HD      LYS  55   9.035  -2.527   9.372
  454    HE2  LYS  55           1HE      LYS  55   7.384  -4.332  10.173
  455    HE3  LYS  55           2HE      LYS  55   7.766  -5.212   8.685
  456    HZ1  LYS  55           3HZ      LYS  55   9.182  -5.976  10.459
  457    HZ2  LYS  55           1HZ      LYS  55  10.139  -5.147   9.413
  458    HZ3  LYS  55           2HZ      LYS  55   9.685  -4.465  10.822
  459    H    ASP  56           H        ASP  56   3.722  -4.674   6.858
  460    HA   ASP  56           HA       ASP  56   3.331  -4.716   3.988
  461    HB2  ASP  56           1HB      ASP  56   3.597  -6.708   5.478
  462    HB3  ASP  56           2HB      ASP  56   1.987  -6.397   6.117
  463    H    ALA  57           H        ALA  57   1.333  -3.612   6.715
  464    HA   ALA  57           HA       ALA  57  -1.082  -3.172   5.203
  465    HB1  ALA  57           1HB      ALA  57  -0.998  -3.185   7.682
  466    HB2  ALA  57           2HB      ALA  57  -0.039  -1.688   7.660
  467    HB3  ALA  57           3HB      ALA  57  -1.709  -1.686   7.059
  468    H    GLN  58           H        GLN  58   1.708  -0.970   5.854
  469    HA   GLN  58           HA       GLN  58   0.846   1.190   4.160
  470    HB2  GLN  58           1HB      GLN  58   3.584   0.175   5.025
  471    HB3  GLN  58           2HB      GLN  58   3.384   1.545   3.941
  472    HG2  GLN  58           1HG      GLN  58   2.250   2.852   5.600
  473    HG3  GLN  58           2HG      GLN  58   2.143   1.480   6.704
  474   HE21  GLN  58          2HE2      GLN  58   3.889   1.114   8.093
  475   HE22  GLN  58          1HE2      GLN  58   5.400   2.020   8.010
  476    H    SER  59           H        SER  59   2.729  -1.788   3.392
  477    HA   SER  59           HA       SER  59   3.217  -1.108   0.649
  478    HB2  SER  59           1HB      SER  59   2.920  -3.861   1.911
  479    HB3  SER  59           2HB      SER  59   3.632  -3.505   0.335
  480    HG   SER  59           HG       SER  59   4.614  -2.667   2.890
  481    H    ASN  60           H        ASN  60   0.437  -2.765   2.170
  482    HA   ASN  60           HA       ASN  60  -0.905  -3.271  -0.353
  483    HB2  ASN  60           1HB      ASN  60  -1.871  -3.294   2.531
  484    HB3  ASN  60           2HB      ASN  60  -2.864  -3.776   1.155
  485   HD21  ASN  60          2HD2      ASN  60  -2.120  -5.540   3.391
  486   HD22  ASN  60          1HD2      ASN  60  -1.068  -6.769   2.727
  487    H    ALA  61           H        ALA  61  -1.057  -0.583   2.023
  488    HA   ALA  61           HA       ALA  61  -3.141   0.890   0.677
  489    HB1  ALA  61           1HB      ALA  61  -2.383   1.292   3.027
  490    HB2  ALA  61           2HB      ALA  61  -0.832   1.902   2.403
  491    HB3  ALA  61           3HB      ALA  61  -2.338   2.765   2.040
  492    H    ALA  62           H        ALA  62   0.431   0.962   0.358
  493    HA   ALA  62           HA       ALA  62   0.580   2.952  -1.668
  494    HB1  ALA  62           1HB      ALA  62   2.477   2.141  -0.289
  495    HB2  ALA  62           2HB      ALA  62   2.418   0.576  -1.121
  496    HB3  ALA  62           3HB      ALA  62   2.840   2.043  -2.029
  497    H    ARG  63           H        ARG  63   0.410  -0.655  -2.022
  498    HA   ARG  63           HA       ARG  63   0.341  -0.673  -4.828
  499    HB2  ARG  63           1HB      ARG  63   0.572  -2.713  -3.352
  500    HB3  ARG  63           2HB      ARG  63  -1.123  -2.559  -2.924
  501    HG2  ARG  63           1HG      ARG  63  -0.879  -4.262  -4.624
  502    HG3  ARG  63           2HG      ARG  63  -1.786  -2.910  -5.273
  503    HD2  ARG  63           1HD      ARG  63   0.686  -2.190  -6.150
  504    HD3  ARG  63           2HD      ARG  63   0.953  -3.923  -5.991
  505    HE   ARG  63           HE       ARG  63  -1.319  -2.707  -7.546
  506   HH11  ARG  63          1HH2      ARG  63   1.482  -4.903  -7.668
  507   HH12  ARG  63          2HH2      ARG  63   1.011  -5.492  -9.232
  508   HH21  ARG  63          1HH1      ARG  63  -1.789  -3.439  -9.491
  509   HH22  ARG  63          2HH1      ARG  63  -0.823  -4.664 -10.279
  510    H    ASP  64           H        ASP  64  -2.394  -0.255  -2.552
  511    HA   ASP  64           HA       ASP  64  -4.415  -0.199  -4.573
  512    HB2  ASP  64           1HB      ASP  64  -4.710  -0.684  -2.142
  513    HB3  ASP  64           2HB      ASP  64  -4.453   1.027  -1.799
  514    H    PHE  65           H        PHE  65  -2.317   2.414  -3.325
  515    HA   PHE  65           HA       PHE  65  -3.760   4.452  -4.872
  516    HB2  PHE  65           1HB      PHE  65  -2.501   4.940  -2.750
  517    HB3  PHE  65           2HB      PHE  65  -1.002   4.674  -3.625
  518    HD1  PHE  65           1HD      PHE  65  -4.144   6.719  -3.561
  519    HD2  PHE  65           2HD      PHE  65  -0.110   6.431  -5.033
  520    HE1  PHE  65           1HE      PHE  65  -4.306   9.029  -4.457
  521    HE2  PHE  65           2HE      PHE  65  -0.263   8.764  -5.885
  522    HZ   PHE  65           HZ       PHE  65  -2.363  10.048  -5.622
  523    H    VAL  66           H        VAL  66  -0.767   2.522  -5.343
  524    HA   VAL  66           HA       VAL  66  -0.039   3.700  -7.859
  525    HB   VAL  66           HB       VAL  66   0.444   0.898  -6.785
  526   HG11  VAL  66          1HG1      VAL  66   0.641   0.698  -9.204
  527   HG12  VAL  66          2HG1      VAL  66   1.559   2.218  -9.299
  528   HG13  VAL  66          3HG1      VAL  66   2.270   0.788  -8.528
  529   HG21  VAL  66          3HG2      VAL  66   2.675   1.740  -6.305
  530   HG22  VAL  66          1HG2      VAL  66   2.310   3.291  -7.102
  531   HG23  VAL  66          2HG2      VAL  66   1.499   2.849  -5.593
  532    H    ASN  67           H        ASN  67  -2.220   0.987  -7.099
  533    HA   ASN  67           HA       ASN  67  -3.128   0.380  -9.721
  534    HB2  ASN  67           1HB      ASN  67  -4.594   0.339  -7.057
  535    HB3  ASN  67           2HB      ASN  67  -5.312  -0.237  -8.554
  536   HD21  ASN  67          2HD2      ASN  67  -5.082  -1.937  -6.380
  537   HD22  ASN  67          1HD2      ASN  67  -3.925  -3.189  -6.787
  538    H    TYR  68           H        TYR  68  -4.451   2.936  -7.490
  539    HA   TYR  68           HA       TYR  68  -6.302   4.026  -9.371
  540    HB2  TYR  68           1HB      TYR  68  -6.527   4.620  -7.105
  541    HB3  TYR  68           2HB      TYR  68  -4.871   5.178  -6.968
  542    HD1  TYR  68           1HD      TYR  68  -8.141   5.965  -8.615
  543    HD2  TYR  68           2HD      TYR  68  -4.295   7.456  -7.349
  544    HE1  TYR  68           1HE      TYR  68  -8.846   8.282  -9.190
  545    HE2  TYR  68           2HE      TYR  68  -4.983   9.757  -7.943
  546    HH   TYR  68           HH       TYR  68  -6.676  11.106  -8.760
  547    H    LEU  69           H        LEU  69  -2.844   4.913  -8.827
  548    HA   LEU  69           HA       LEU  69  -2.734   6.950 -10.820
  549    HB2  LEU  69           1HB      LEU  69  -0.555   5.104  -9.792
  550    HB3  LEU  69           2HB      LEU  69  -0.293   6.501 -10.829
  551    HG   LEU  69           HG       LEU  69  -1.488   6.706  -8.042
  552   HD11  LEU  69          1HD1      LEU  69   0.806   5.847  -7.941
  553   HD12  LEU  69          2HD1      LEU  69   1.360   7.116  -9.048
  554   HD13  LEU  69          3HD1      LEU  69   0.789   7.535  -7.426
  555   HD21  LEU  69          3HD2      LEU  69  -0.889   9.119  -8.307
  556   HD22  LEU  69          1HD2      LEU  69  -0.466   8.807 -10.002
  557   HD23  LEU  69          2HD2      LEU  69  -2.138   8.597  -9.438
  558    H    VAL  70           H        VAL  70  -2.259   3.428 -11.203
  559    HA   VAL  70           HA       VAL  70  -1.642   3.544 -14.017
  560    HB   VAL  70           HB       VAL  70  -2.863   1.317 -12.351
  561   HG11  VAL  70          1HG1      VAL  70  -3.537   0.896 -14.677
  562   HG12  VAL  70          2HG1      VAL  70  -1.872   1.180 -15.234
  563   HG13  VAL  70          3HG1      VAL  70  -2.261  -0.223 -14.209
  564   HG21  VAL  70          3HG2      VAL  70  -0.650   0.318 -12.464
  565   HG22  VAL  70          1HG2      VAL  70  -0.064   1.630 -13.512
  566   HG23  VAL  70          2HG2      VAL  70  -0.503   1.961 -11.830
  567    H    ARG  71           H        ARG  71  -4.740   3.201 -12.281
  568    HA   ARG  71           HA       ARG  71  -6.391   3.042 -14.614
  569    HB2  ARG  71           1HB      ARG  71  -7.000   3.857 -11.751
  570    HB3  ARG  71           2HB      ARG  71  -8.247   3.711 -12.981
  571    HG2  ARG  71           1HG      ARG  71  -6.398   1.414 -12.203
  572    HG3  ARG  71           2HG      ARG  71  -7.982   1.713 -11.485
  573    HD2  ARG  71           1HD      ARG  71  -9.030   1.488 -13.748
  574    HD3  ARG  71           2HD      ARG  71  -7.440   1.150 -14.431
  575    HE   ARG  71           HE       ARG  71  -7.456  -0.978 -13.550
  576   HH11  ARG  71          1HH1      ARG  71 -10.210   0.737 -12.131
  577   HH12  ARG  71          2HH1      ARG  71 -10.891  -0.722 -11.475
  578   HH21  ARG  71          1HH2      ARG  71  -8.388  -2.811 -12.675
  579   HH22  ARG  71          2HH2      ARG  71  -9.871  -2.698 -11.777
  580    H    ILE  72           H        ILE  72  -4.825   5.824 -13.330
  581    HA   ILE  72           HA       ILE  72  -6.348   7.540 -15.279
  582    HB   ILE  72           HB       ILE  72  -5.727   9.485 -14.017
  583   HG12  ILE  72          1HG1      ILE  72  -4.421   7.662 -11.971
  584   HG13  ILE  72          2HG1      ILE  72  -3.529   8.620 -13.144
  585   HG21  ILE  72          1HG2      ILE  72  -7.805   8.201 -13.445
  586   HG22  ILE  72          2HG2      ILE  72  -6.923   7.430 -12.108
  587   HG23  ILE  72          3HG2      ILE  72  -7.190   9.184 -12.116
  588   HD11  ILE  72          3HD1      ILE  72  -3.529   9.741 -11.014
  589   HD12  ILE  72          1HD1      ILE  72  -4.483  10.694 -12.170
  590   HD13  ILE  72          2HD1      ILE  72  -5.294   9.712 -10.926
  591    H    ASN  73           H        ASN  73  -3.789   5.714 -15.474
  592    HA   ASN  73           HA       ASN  73  -2.009   5.584 -16.788
  593    HB2  ASN  73           1HB      ASN  73  -3.076   8.059 -18.200
  594    HB3  ASN  73           2HB      ASN  73  -1.933   6.887 -18.841
  595   HD21  ASN  73          2HD2      ASN  73  -2.688   4.649 -19.252
  596   HD22  ASN  73          1HD2      ASN  73  -4.398   4.389 -19.546
  597    H    GLU  74           H        GLU  74  -1.836   7.415 -14.347
  598    HA   GLU  74           HA       GLU  74   0.503   9.108 -14.967
  599    HB2  GLU  74           1HB      GLU  74  -1.142   8.556 -12.482
  600    HB3  GLU  74           2HB      GLU  74   0.359   9.455 -12.394
  601    HG2  GLU  74           1HG      GLU  74  -1.838  10.327 -14.289
  602    HG3  GLU  74           2HG      GLU  74  -1.839  10.764 -12.586
  603    H    VAL  75           H        VAL  75  -0.010   5.860 -14.147
  604    HA   VAL  75           HA       VAL  75   2.936   5.435 -13.936
  605    HB   VAL  75           HB       VAL  75   0.805   4.006 -12.276
  606   HG11  VAL  75          1HG1      VAL  75   2.441   2.331 -13.056
  607   HG12  VAL  75          2HG1      VAL  75   3.787   3.404 -12.567
  608   HG13  VAL  75          3HG1      VAL  75   2.713   2.675 -11.353
  609   HG21  VAL  75          3HG2      VAL  75   1.941   4.767 -10.321
  610   HG22  VAL  75          1HG2      VAL  75   3.330   5.334 -11.254
  611   HG23  VAL  75          2HG2      VAL  75   1.796   6.208 -11.344
  612    H    LYS  76           H        LYS  76   3.637   3.829 -15.333
  613    HA   LYS  76           HA       LYS  76   1.647   2.457 -17.062
  614    HB2  LYS  76           1HB      LYS  76   4.688   2.303 -17.056
  615    HB3  LYS  76           2HB      LYS  76   3.607   1.567 -18.237
  616    HG2  LYS  76           1HG      LYS  76   2.768   3.827 -18.889
  617    HG3  LYS  76           2HG      LYS  76   3.919   4.568 -17.759
  618    HD2  LYS  76           1HD      LYS  76   5.807   3.539 -18.997
  619    HD3  LYS  76           2HD      LYS  76   4.657   2.798 -20.134
  620    HE2  LYS  76           1HE      LYS  76   3.832   5.063 -20.763
  621    HE3  LYS  76           2HE      LYS  76   4.983   5.797 -19.640
  622    HZ1  LYS  76           3HZ      LYS  76   5.839   5.789 -21.906
  623    HZ2  LYS  76           1HZ      LYS  76   6.786   4.844 -20.970
  624    HZ3  LYS  76           2HZ      LYS  76   5.720   4.163 -22.008
  625    H    SER  77           H        SER  77   0.903   0.436 -16.632
  626    HA   SER  77           HA       SER  77   1.347  -0.901 -14.190
  627    HB2  SER  77           1HB      SER  77   0.211  -2.821 -15.310
  628    HB3  SER  77           2HB      SER  77  -0.640  -1.276 -15.454
  629    HG   SER  77           HG       SER  77  -0.539  -2.425 -17.471
  630    H    GLU  78           H        GLU  78   3.050  -1.323 -17.269
  631    HA   GLU  78           HA       GLU  78   4.383  -3.754 -16.755
  632    HB2  GLU  78           1HB      GLU  78   5.336  -1.370 -18.396
  633    HB3  GLU  78           2HB      GLU  78   5.979  -3.015 -18.490
  634    HG2  GLU  78           1HG      GLU  78   3.696  -3.826 -19.160
  635    HG3  GLU  78           2HG      GLU  78   3.144  -2.151 -19.209
  636    H    GLU  79           H        GLU  79   5.024  -0.634 -15.326
  637    HA   GLU  79           HA       GLU  79   7.756  -1.353 -14.441
  638    HB2  GLU  79           1HB      GLU  79   5.997   1.078 -13.929
  639    HB3  GLU  79           2HB      GLU  79   7.652   0.894 -13.387
  640    HG2  GLU  79           1HG      GLU  79   6.739   0.980 -16.297
  641    HG3  GLU  79           2HG      GLU  79   7.476   2.303 -15.406
  642    H    VAL  80           H        VAL  80   4.559  -1.814 -13.268
  643    HA   VAL  80           HA       VAL  80   5.057  -1.171 -10.488
  644    HB   VAL  80           HB       VAL  80   2.689  -2.629 -11.714
  645   HG11  VAL  80          1HG1      VAL  80   2.784  -3.068  -9.309
  646   HG12  VAL  80          2HG1      VAL  80   3.055  -1.348  -8.973
  647   HG13  VAL  80          3HG1      VAL  80   1.501  -1.901  -9.635
  648   HG21  VAL  80          3HG2      VAL  80   1.553  -0.440 -11.549
  649   HG22  VAL  80          1HG2      VAL  80   3.059   0.305 -10.965
  650   HG23  VAL  80          2HG2      VAL  80   2.952  -0.332 -12.616
  651    HA   PRO  81           HA       PRO  81   6.699  -5.289  -9.561
  652    HB2  PRO  81           1HB      PRO  81   7.241  -5.008  -6.904
  653    HB3  PRO  81           2HB      PRO  81   8.200  -4.193  -8.178
  654    HG2  PRO  81           1HG      PRO  81   5.912  -3.049  -6.551
  655    HG3  PRO  81           2HG      PRO  81   7.527  -2.328  -6.842
  656    HD2  PRO  81           1HD      PRO  81   5.349  -1.636  -8.333
  657    HD3  PRO  81           2HD      PRO  81   6.972  -1.759  -9.066
  658    H    ALA  82           H        ALA  82   6.032  -7.204  -8.582
  659    HA   ALA  82           HA       ALA  82   3.616  -7.304  -6.912
  660    HB1  ALA  82           1HB      ALA  82   2.764  -7.246  -9.252
  661    HB2  ALA  82           2HB      ALA  82   3.778  -8.646  -9.654
  662    HB3  ALA  82           3HB      ALA  82   2.449  -8.816  -8.489
  663    H    VAL  83           H        VAL  83   3.288  -9.373  -5.909
  664    HA   VAL  83           HA       VAL  83   5.624 -10.554  -5.005
  665    HB   VAL  83           HB       VAL  83   3.208 -10.270  -4.041
  666   HG11  VAL  83          1HG1      VAL  83   2.061 -11.820  -5.614
  667   HG12  VAL  83          2HG1      VAL  83   2.955 -13.179  -4.893
  668   HG13  VAL  83          3HG1      VAL  83   1.829 -12.232  -3.907
  669   HG21  VAL  83          3HG2      VAL  83   3.713 -11.814  -2.259
  670   HG22  VAL  83          1HG2      VAL  83   4.940 -12.623  -3.267
  671   HG23  VAL  83          2HG2      VAL  83   5.147 -10.916  -2.791
  672    H    GLY  84           H        GLY  84   3.989 -11.424  -7.899
  673    HA2  GLY  84           1HA      GLY  84   5.812 -13.461  -8.636
  674    HA3  GLY  84           2HA      GLY  84   4.360 -14.237  -8.036
  675    H    ILE  85           H        ILE  85   4.860 -14.848 -10.459
  676    HA   ILE  85           HA       ILE  85   3.247 -13.154 -12.337
  677    HB   ILE  85           HB       ILE  85   5.457 -15.161 -12.940
  678   HG12  ILE  85          1HG1      ILE  85   6.458 -13.202 -11.873
  679   HG13  ILE  85          2HG1      ILE  85   6.893 -13.323 -13.555
  680   HG21  ILE  85          1HG2      ILE  85   3.929 -15.075 -14.804
  681   HG22  ILE  85          2HG2      ILE  85   3.898 -13.300 -14.781
  682   HG23  ILE  85          3HG2      ILE  85   5.376 -14.171 -15.244
  683   HD11  ILE  85          3HD1      ILE  85   6.453 -10.996 -12.899
  684   HD12  ILE  85          1HD1      ILE  85   5.294 -11.511 -14.134
  685   HD13  ILE  85          2HD1      ILE  85   4.799 -11.407 -12.427
  686    H    VAL  86           H        VAL  86   1.594 -14.124 -13.494
  687    HA   VAL  86           HA       VAL  86   0.999 -16.999 -13.142
  688    HB   VAL  86           HB       VAL  86  -1.398 -16.371 -12.738
  689   HG11  VAL  86          1HG1      VAL  86   0.067 -17.218 -10.931
  690   HG12  VAL  86          2HG1      VAL  86   0.496 -15.545 -10.507
  691   HG13  VAL  86          3HG1      VAL  86  -1.176 -16.108 -10.332
  692   HG21  VAL  86          3HG2      VAL  86  -1.986 -14.222 -11.755
  693   HG22  VAL  86          1HG2      VAL  86  -0.338 -13.618 -11.994
  694   HG23  VAL  86          2HG2      VAL  86  -1.371 -13.992 -13.394
  695    HA   PRO  87           HA       PRO  87  -0.120 -16.593 -17.411
  696    HB2  PRO  87           1HB      PRO  87  -1.765 -18.742 -17.833
  697    HB3  PRO  87           2HB      PRO  87  -0.019 -18.910 -17.479
  698    HG2  PRO  87           1HG      PRO  87  -2.342 -19.095 -15.529
  699    HG3  PRO  87           2HG      PRO  87  -0.980 -20.246 -15.740
  700    HD2  PRO  87           1HD      PRO  87  -0.947 -18.330 -13.812
  701    HD3  PRO  87           2HD      PRO  87   0.543 -18.785 -14.688
  702    HA   PRO  88           HA       PRO  88  -3.959 -14.402 -17.922
  703    HB2  PRO  88           1HB      PRO  88  -4.485 -16.090 -20.371
  704    HB3  PRO  88           2HB      PRO  88  -4.583 -14.311 -20.185
  705    HG2  PRO  88           1HG      PRO  88  -2.426 -15.435 -21.373
  706    HG3  PRO  88           2HG      PRO  88  -2.197 -14.111 -20.183
  707    HD2  PRO  88           1HD      PRO  88  -1.933 -17.099 -19.742
  708    HD3  PRO  88           2HD      PRO  88  -0.843 -15.775 -19.228
  709    HA   PRO  89           HA       PRO  89  -7.142 -17.013 -16.102
  710    HB2  PRO  89           1HB      PRO  89  -9.069 -15.058 -17.361
  711    HB3  PRO  89           2HB      PRO  89  -9.040 -15.691 -15.686
  712    HG2  PRO  89           1HG      PRO  89  -8.092 -13.213 -16.212
  713    HG3  PRO  89           2HG      PRO  89  -7.175 -14.302 -15.119
  714    HD2  PRO  89           1HD      PRO  89  -6.671 -13.728 -18.051
  715    HD3  PRO  89           2HD      PRO  89  -5.514 -13.809 -16.686
  716    H    SER  90           H        SER  90  -7.337 -16.190 -19.554
  717    HA   SER  90           HA       SER  90  -9.320 -18.190 -20.246
  718    HB2  SER  90           1HB      SER  90  -7.296 -16.770 -22.011
  719    HB3  SER  90           2HB      SER  90  -8.762 -17.611 -22.539
  720    HG   SER  90           HG       SER  90  -9.078 -15.333 -22.416
  721    H    GLY  91           H        GLY  91  -6.106 -18.605 -19.298
  722    HA2  GLY  91           1HA      GLY  91  -5.430 -20.818 -21.132
  723    HA3  GLY  91           2HA      GLY  91  -4.419 -20.153 -19.833
  724    HA   PRO  92           HA       PRO  92  -6.380 -24.271 -18.583
  725    HB2  PRO  92           1HB      PRO  92  -3.499 -25.131 -18.470
  726    HB3  PRO  92           2HB      PRO  92  -4.934 -26.049 -19.017
  727    HG2  PRO  92           1HG      PRO  92  -3.192 -25.012 -20.819
  728    HG3  PRO  92           2HG      PRO  92  -4.960 -24.902 -21.110
  729    HD2  PRO  92           1HD      PRO  92  -3.113 -22.780 -19.970
  730    HD3  PRO  92           2HD      PRO  92  -4.337 -22.637 -21.265
  731    H    SER  93           H        SER  93  -3.537 -22.506 -17.377
  732    HA   SER  93           HA       SER  93  -2.807 -21.844 -15.353
  733    HB2  SER  93           1HB      SER  93  -5.605 -22.505 -14.397
  734    HB3  SER  93           2HB      SER  93  -4.386 -21.612 -13.482
  735    HG   SER  93           HG       SER  93  -5.851 -20.233 -14.645
  736    H    SER  94           H        SER  94  -3.645 -25.117 -15.691
  737    HA   SER  94           HA       SER  94  -1.571 -25.982 -13.844
  738    HB2  SER  94           1HB      SER  94  -2.999 -27.369 -12.428
  739    HB3  SER  94           2HB      SER  94  -3.396 -25.662 -12.239
  740    HG   SER  94           HG       SER  94  -5.282 -26.973 -12.416
  741    H    GLY  95           H        GLY  95  -1.389 -28.419 -13.830
  742    HA2  GLY  95           1HA      GLY  95  -2.637 -30.154 -15.675
  743    HA3  GLY  95           2HA      GLY  95  -1.239 -29.458 -16.494
  Start of MODEL   12
    1    H1   GLY  -3           1H       GLY  -3  19.421  -2.055  16.856
    2    H2   GLY  -3           2H       GLY  -3  20.364  -1.023  16.006
    3    H3   GLY  -3           3H       GLY  -3  19.717  -0.551  17.436
    4    HA2  GLY  -3           1HA      GLY  -3  17.488  -0.658  16.544
    5    HA3  GLY  -3           2HA      GLY  -3  18.509   0.466  15.627
    6    H    SER  -2           H        SER  -2  16.374  -0.307  14.305
    7    HA   SER  -2           HA       SER  -2  17.337  -1.775  12.010
    8    HB2  SER  -2           1HB      SER  -2  16.697  -3.637  13.625
    9    HB3  SER  -2           2HB      SER  -2  15.028  -3.055  13.514
   10    HG   SER  -2           HG       SER  -2  15.545  -4.771  12.012
   11    H    SER  -1           H        SER  -1  15.293  -2.125  10.467
   12    HA   SER  -1           HA       SER  -1  13.159  -0.179  10.647
   13    HB2  SER  -1           1HB      SER  -1  15.158   1.279  10.097
   14    HB3  SER  -1           2HB      SER  -1  15.291   0.404   8.562
   15    HG   SER  -1           HG       SER  -1  14.038   2.355   8.399
   16    H    GLY   0           H        GLY   0  11.718  -0.268   8.806
   17    HA2  GLY   0           1HA      GLY   0  11.621  -2.968   7.566
   18    HA3  GLY   0           2HA      GLY   0  10.302  -1.785   7.666
   19    H    SER   1           H        SER   1  10.782  -3.172   5.364
   20    HA   SER   1           HA       SER   1  11.032  -1.026   3.435
   21    HB2  SER   1           1HB      SER   1  13.445  -1.671   3.836
   22    HB3  SER   1           2HB      SER   1  13.053  -3.286   3.219
   23    HG   SER   1           HG       SER   1  13.886  -1.856   1.585
   24    H    SER   2           H        SER   2  10.422  -1.733   1.260
   25    HA   SER   2           HA       SER   2   9.370  -4.336   0.657
   26    HB2  SER   2           1HB      SER   2   7.619  -3.749   2.263
   27    HB3  SER   2           2HB      SER   2   7.374  -2.190   1.465
   28    HG   SER   2           HG       SER   2   5.841  -3.709   0.842
   29    H    GLY   3           H        GLY   3   8.921  -4.479  -1.550
   30    HA2  GLY   3           1HA      GLY   3  10.204  -2.498  -3.151
   31    HA3  GLY   3           2HA      GLY   3   9.337  -3.927  -3.751
   32    H    ILE   4           H        ILE   4   6.720  -3.206  -2.740
   33    HA   ILE   4           HA       ILE   4   5.972  -1.272  -4.821
   34    HB   ILE   4           HB       ILE   4   4.646  -3.308  -4.392
   35   HG12  ILE   4          1HG1      ILE   4   2.402  -2.320  -4.435
   36   HG13  ILE   4          2HG1      ILE   4   3.039  -0.754  -3.943
   37   HG21  ILE   4          1HG2      ILE   4   4.819  -3.386  -1.907
   38   HG22  ILE   4          2HG2      ILE   4   3.747  -1.972  -1.803
   39   HG23  ILE   4          3HG2      ILE   4   3.150  -3.497  -2.476
   40   HD11  ILE   4          3HD1      ILE   4   2.570  -0.929  -6.384
   41   HD12  ILE   4          1HD1      ILE   4   4.276  -0.578  -6.075
   42   HD13  ILE   4          2HD1      ILE   4   3.769  -2.228  -6.519
   43    H    LYS   5           H        LYS   5   6.231  -1.194  -1.309
   44    HA   LYS   5           HA       LYS   5   5.086   1.436  -0.940
   45    HB2  LYS   5           1HB      LYS   5   5.565  -0.548   0.696
   46    HB3  LYS   5           2HB      LYS   5   7.179   0.113   0.839
   47    HG2  LYS   5           1HG      LYS   5   4.571   1.600   1.428
   48    HG3  LYS   5           2HG      LYS   5   5.517   0.744   2.633
   49    HD2  LYS   5           1HD      LYS   5   6.448   3.207   1.105
   50    HD3  LYS   5           2HD      LYS   5   5.869   3.149   2.768
   51    HE2  LYS   5           1HE      LYS   5   7.746   1.596   3.357
   52    HE3  LYS   5           2HE      LYS   5   8.371   1.752   1.709
   53    HZ1  LYS   5           3HZ      LYS   5   9.477   3.285   3.227
   54    HZ2  LYS   5           1HZ      LYS   5   8.641   4.144   2.117
   55    HZ3  LYS   5           2HZ      LYS   5   8.065   3.989   3.642
   56    H    ASN   6           H        ASN   6   8.435   0.248  -1.420
   57    HA   ASN   6           HA       ASN   6   9.682   2.830  -1.549
   58    HB2  ASN   6           1HB      ASN   6  10.868   0.676  -1.135
   59    HB3  ASN   6           2HB      ASN   6  10.508   0.176  -2.789
   60   HD21  ASN   6          2HD2      ASN   6  12.289   0.422  -4.114
   61   HD22  ASN   6          1HD2      ASN   6  13.451   1.729  -3.971
   62    H    PHE   7           H        PHE   7   8.010   0.862  -4.048
   63    HA   PHE   7           HA       PHE   7   8.960   2.380  -6.291
   64    HB2  PHE   7           1HB      PHE   7   8.063   0.154  -6.569
   65    HB3  PHE   7           2HB      PHE   7   6.494   0.650  -5.936
   66    HD1  PHE   7           2HD      PHE   7   8.878   1.114  -8.776
   67    HD2  PHE   7           1HD      PHE   7   4.854   1.687  -7.341
   68    HE1  PHE   7           2HE      PHE   7   8.156   1.773 -11.056
   69    HE2  PHE   7           1HE      PHE   7   4.139   2.355  -9.621
   70    HZ   PHE   7           HZ       PHE   7   5.782   2.390 -11.487
   71    H    LEU   8           H        LEU   8   5.941   2.712  -4.316
   72    HA   LEU   8           HA       LEU   8   4.989   5.007  -5.743
   73    HB2  LEU   8           1HB      LEU   8   3.623   3.645  -4.175
   74    HB3  LEU   8           2HB      LEU   8   4.605   4.222  -2.821
   75    HG   LEU   8           HG       LEU   8   3.807   6.494  -3.097
   76   HD11  LEU   8          1HD1      LEU   8   3.545   6.664  -5.547
   77   HD12  LEU   8          2HD1      LEU   8   2.196   5.507  -5.497
   78   HD13  LEU   8          3HD1      LEU   8   2.054   7.109  -4.731
   79   HD21  LEU   8          3HD2      LEU   8   1.433   6.162  -2.546
   80   HD22  LEU   8          1HD2      LEU   8   1.483   4.527  -3.240
   81   HD23  LEU   8          2HD2      LEU   8   2.426   4.907  -1.784
   82    H    TYR   9           H        TYR   9   7.148   4.744  -2.890
   83    HA   TYR   9           HA       TYR   9   7.486   7.527  -2.483
   84    HB2  TYR   9           1HB      TYR   9   8.068   5.667  -0.911
   85    HB3  TYR   9           2HB      TYR   9   9.465   5.290  -1.907
   86    HD1  TYR   9           2HD      TYR   9  11.419   6.826  -1.985
   87    HD2  TYR   9           1HD      TYR   9   8.005   7.632   0.523
   88    HE1  TYR   9           2HE      TYR   9  12.736   8.531  -0.746
   89    HE2  TYR   9           1HE      TYR   9   9.321   9.337   1.770
   90    HH   TYR   9           HH       TYR   9  12.736  10.086   0.954
   91    H    ALA  10           H        ALA  10   9.412   5.290  -4.519
   92    HA   ALA  10           HA       ALA  10  11.288   7.259  -5.455
   93    HB1  ALA  10           1HB      ALA  10  11.714   4.826  -5.477
   94    HB2  ALA  10           2HB      ALA  10  10.409   4.596  -6.663
   95    HB3  ALA  10           3HB      ALA  10  11.864   5.513  -7.106
   96    H    TRP  11           H        TRP  11   8.178   6.085  -6.840
   97    HA   TRP  11           HA       TRP  11   8.215   7.628  -9.238
   98    HB2  TRP  11           1HB      TRP  11   6.658   5.798  -8.817
   99    HB3  TRP  11           2HB      TRP  11   5.936   6.655  -7.475
  100    HD1  TRP  11           HD       TRP  11   5.906   6.554 -11.279
  101    HE1  TRP  11           1HE      TRP  11   3.893   7.897 -12.141
  102    HE3  TRP  11           3HE      TRP  11   4.378   8.651  -6.874
  103    HZ2  TRP  11           2HZ      TRP  11   2.076   9.891 -11.093
  104    HZ3  TRP  11           3HZ      TRP  11   2.490  10.251  -6.825
  105    HH2  TRP  11           HH       TRP  11   1.334  10.885  -8.930
  106    H    CYS  12           H        CYS  12   6.881   8.414  -6.012
  107    HA   CYS  12           HA       CYS  12   6.124  11.126  -6.521
  108    HB2  CYS  12           1HB      CYS  12   7.142   9.739  -4.003
  109    HB3  CYS  12           2HB      CYS  12   6.504  11.383  -4.029
  110    HG   CYS  12           HG       CYS  12   5.009   8.542  -4.745
  111    H    GLY  13           H        GLY  13   9.293   9.842  -5.406
  112    HA2  GLY  13           1HA      GLY  13  10.606  12.348  -5.157
  113    HA3  GLY  13           2HA      GLY  13  11.397  10.766  -5.344
  114    H    LYS  14           H        LYS  14  10.108  10.370  -8.055
  115    HA   LYS  14           HA       LYS  14  11.985  11.943  -9.702
  116    HB2  LYS  14           1HB      LYS  14   9.890   9.815 -10.313
  117    HB3  LYS  14           2HB      LYS  14  10.848  10.596 -11.564
  118    HG2  LYS  14           1HG      LYS  14  12.068   9.014  -9.263
  119    HG3  LYS  14           2HG      LYS  14  11.676   8.352 -10.850
  120    HD2  LYS  14           1HD      LYS  14  13.248  10.000 -11.905
  121    HD3  LYS  14           2HD      LYS  14  13.645  10.616 -10.298
  122    HE2  LYS  14           1HE      LYS  14  15.396   9.131 -10.890
  123    HE3  LYS  14           2HE      LYS  14  14.443   8.337  -9.633
  124    HZ1  LYS  14           3HZ      LYS  14  14.994   6.828 -11.457
  125    HZ2  LYS  14           1HZ      LYS  14  13.375   7.016 -11.384
  126    HZ3  LYS  14           2HZ      LYS  14  14.240   7.779 -12.547
  127    H    ARG  15           H        ARG  15   8.957  12.551  -8.444
  128    HA   ARG  15           HA       ARG  15   8.238  14.561 -10.538
  129    HB2  ARG  15           1HB      ARG  15   6.488  12.955  -8.638
  130    HB3  ARG  15           2HB      ARG  15   5.908  14.209  -9.747
  131    HG2  ARG  15           1HG      ARG  15   6.709  12.856 -11.682
  132    HG3  ARG  15           2HG      ARG  15   7.276  11.612 -10.588
  133    HD2  ARG  15           1HD      ARG  15   5.182  10.898 -11.446
  134    HD3  ARG  15           2HD      ARG  15   4.960  11.291  -9.744
  135    HE   ARG  15           HE       ARG  15   3.976  13.474 -10.476
  136   HH11  ARG  15          1HH1      ARG  15   3.844  10.827 -12.886
  137   HH12  ARG  15          2HH1      ARG  15   2.383  11.531 -13.574
  138   HH21  ARG  15          1HH2      ARG  15   2.122  14.221 -11.564
  139   HH22  ARG  15          2HH2      ARG  15   1.505  13.245 -12.896
  140    H    LYS  16           H        LYS  16   9.827  14.572  -7.759
  141    HA   LYS  16           HA       LYS  16  10.265  16.013  -6.080
  142    HB2  LYS  16           1HB      LYS  16   8.679  18.054  -7.691
  143    HB3  LYS  16           2HB      LYS  16   9.805  18.392  -6.378
  144    HG2  LYS  16           1HG      LYS  16  11.658  17.372  -7.690
  145    HG3  LYS  16           2HG      LYS  16  10.541  17.108  -9.044
  146    HD2  LYS  16           1HD      LYS  16  10.110  19.547  -9.173
  147    HD3  LYS  16           2HD      LYS  16  11.237  19.815  -7.825
  148    HE2  LYS  16           1HE      LYS  16  13.073  18.798  -9.162
  149    HE3  LYS  16           2HE      LYS  16  11.952  18.535 -10.506
  150    HZ1  LYS  16           3HZ      LYS  16  13.239  20.565 -10.811
  151    HZ2  LYS  16           1HZ      LYS  16  11.660  20.947 -10.645
  152    HZ3  LYS  16           2HZ      LYS  16  12.697  21.189  -9.403
  153    H    MET  17           H        MET  17   8.043  14.278  -5.731
  154    HA   MET  17           HA       MET  17   6.394  15.725  -3.680
  155    HB2  MET  17           1HB      MET  17   5.655  13.346  -5.438
  156    HB3  MET  17           2HB      MET  17   4.634  14.032  -4.175
  157    HG2  MET  17           1HG      MET  17   4.697  16.230  -5.418
  158    HG3  MET  17           2HG      MET  17   5.498  15.395  -6.745
  159    HE1  MET  17           3HE      MET  17   2.702  12.810  -7.856
  160    HE2  MET  17           1HE      MET  17   4.406  13.271  -7.987
  161    HE3  MET  17           2HE      MET  17   3.808  12.472  -6.517
  162    H    THR  18           H        THR  18   5.493  14.156  -2.059
  163    HA   THR  18           HA       THR  18   7.169  11.798  -1.397
  164    HB   THR  18           HB       THR  18   6.507  13.970   0.632
  165    HG1  THR  18           1HG      THR  18   8.727  14.385   0.557
  166   HG21  THR  18          3HG2      THR  18   8.079  12.700   2.080
  167   HG22  THR  18          1HG2      THR  18   6.686  11.711   1.635
  168   HG23  THR  18          2HG2      THR  18   8.245  11.462   0.816
  169    HA   PRO  19           HA       PRO  19   2.864  10.587  -0.610
  170    HB2  PRO  19           1HB      PRO  19   3.167   7.961   0.000
  171    HB3  PRO  19           2HB      PRO  19   3.447   8.582  -1.657
  172    HG2  PRO  19           1HG      PRO  19   5.507   8.018   0.498
  173    HG3  PRO  19           2HG      PRO  19   5.540   7.524  -1.223
  174    HD2  PRO  19           1HD      PRO  19   6.838   9.759  -0.246
  175    HD3  PRO  19           2HD      PRO  19   6.191   9.672  -1.905
  176    H    ALA  20           H        ALA  20   1.529  10.361   1.168
  177    HA   ALA  20           HA       ALA  20   2.816  10.363   3.879
  178    HB1  ALA  20           1HB      ALA  20   2.028  12.594   3.213
  179    HB2  ALA  20           2HB      ALA  20   0.411  11.936   2.867
  180    HB3  ALA  20           3HB      ALA  20   1.036  11.934   4.532
  181    H    TYR  21           H        TYR  21   2.324   8.647   5.011
  182    HA   TYR  21           HA       TYR  21  -0.086   7.021   4.409
  183    HB2  TYR  21           1HB      TYR  21   2.462   6.390   5.944
  184    HB3  TYR  21           2HB      TYR  21   1.118   5.284   5.746
  185    HD1  TYR  21           1HD      TYR  21   3.845   7.053   3.916
  186    HD2  TYR  21           2HD      TYR  21   0.822   3.984   3.752
  187    HE1  TYR  21           1HE      TYR  21   4.839   6.192   1.813
  188    HE2  TYR  21           2HE      TYR  21   1.828   3.106   1.654
  189    HH   TYR  21           HH       TYR  21   4.680   4.656   0.112
  190    H    GLU  22           H        GLU  22  -1.391   6.158   6.110
  191    HA   GLU  22           HA       GLU  22  -0.966   7.056   8.871
  192    HB2  GLU  22           1HB      GLU  22  -2.366   8.851   7.885
  193    HB3  GLU  22           2HB      GLU  22  -3.561   7.655   7.398
  194    HG2  GLU  22           1HG      GLU  22  -4.269   8.846   9.402
  195    HG3  GLU  22           2HG      GLU  22  -4.059   7.140   9.751
  196    H    ILE  23           H        ILE  23  -2.105   5.757  10.429
  197    HA   ILE  23           HA       ILE  23  -2.977   3.071   9.414
  198    HB   ILE  23           HB       ILE  23  -0.711   3.690  11.347
  199   HG12  ILE  23          1HG1      ILE  23  -0.793   2.205   8.683
  200   HG13  ILE  23          2HG1      ILE  23  -0.107   3.807   8.957
  201   HG21  ILE  23          1HG2      ILE  23  -1.972   1.790  12.289
  202   HG22  ILE  23          2HG2      ILE  23  -1.886   0.944  10.722
  203   HG23  ILE  23          3HG2      ILE  23  -0.428   1.258  11.686
  204   HD11  ILE  23          3HD1      ILE  23   1.722   2.341   8.833
  205   HD12  ILE  23          1HD1      ILE  23   1.552   2.742  10.552
  206   HD13  ILE  23          2HD1      ILE  23   0.985   1.166   9.929
  207    H    ARG  24           H        ARG  24  -4.281   1.860  10.732
  208    HA   ARG  24           HA       ARG  24  -5.043   2.881  13.419
  209    HB2  ARG  24           1HB      ARG  24  -6.773   3.522  11.618
  210    HB3  ARG  24           2HB      ARG  24  -7.115   1.798  11.474
  211    HG2  ARG  24           1HG      ARG  24  -7.519   1.880  14.062
  212    HG3  ARG  24           2HG      ARG  24  -7.491   3.636  13.874
  213    HD2  ARG  24           1HD      ARG  24  -9.314   3.357  12.115
  214    HD3  ARG  24           2HD      ARG  24  -9.409   1.653  12.567
  215    HE   ARG  24           HE       ARG  24 -10.493   3.932  13.974
  216   HH11  ARG  24          1HH1      ARG  24  -9.225   0.674  14.737
  217   HH12  ARG  24          2HH1      ARG  24 -10.312   0.515  16.073
  218   HH21  ARG  24          1HH2      ARG  24 -11.775   3.636  15.755
  219   HH22  ARG  24          2HH2      ARG  24 -11.686   2.163  16.672
  220    H    ALA  25           H        ALA  25  -5.283   1.287  14.906
  221    HA   ALA  25           HA       ALA  25  -4.633  -1.504  14.211
  222    HB1  ALA  25           1HB      ALA  25  -3.708  -0.434  16.248
  223    HB2  ALA  25           2HB      ALA  25  -5.357  -0.217  16.881
  224    HB3  ALA  25           3HB      ALA  25  -4.702  -1.850  16.641
  225    H    VAL  26           H        VAL  26  -5.994  -3.250  14.340
  226    HA   VAL  26           HA       VAL  26  -8.819  -3.016  15.167
  227    HB   VAL  26           HB       VAL  26  -9.616  -4.150  13.092
  228   HG11  VAL  26          1HG1      VAL  26  -9.927  -1.707  13.440
  229   HG12  VAL  26          2HG1      VAL  26  -8.461  -1.414  12.471
  230   HG13  VAL  26          3HG1      VAL  26  -9.875  -2.201  11.744
  231   HG21  VAL  26          3HG2      VAL  26  -8.323  -4.056  11.018
  232   HG22  VAL  26          1HG2      VAL  26  -6.930  -3.363  11.873
  233   HG23  VAL  26          2HG2      VAL  26  -7.469  -5.019  12.227
  234    H    GLY  27           H        GLY  27  -9.873  -5.304  14.972
  235    HA2  GLY  27           1HA      GLY  27  -9.790  -7.630  15.208
  236    HA3  GLY  27           2HA      GLY  27  -8.019  -7.593  15.131
  237    H    ASN  28           H        ASN  28  -8.851  -9.307  16.814
  238    HA   ASN  28           HA       ASN  28  -9.498  -8.247  19.460
  239    HB2  ASN  28           1HB      ASN  28 -10.537 -10.295  18.472
  240    HB3  ASN  28           2HB      ASN  28  -8.970 -11.096  18.545
  241   HD21  ASN  28          2HD2      ASN  28  -9.048 -12.558  20.232
  242   HD22  ASN  28          1HD2      ASN  28  -9.766 -12.227  21.807
  243    H    LYS  29           H        LYS  29  -8.339  -8.984  21.413
  244    HA   LYS  29           HA       LYS  29  -5.745  -7.930  21.532
  245    HB2  LYS  29           1HB      LYS  29  -6.985  -9.906  23.510
  246    HB3  LYS  29           2HB      LYS  29  -5.733  -8.698  23.830
  247    HG2  LYS  29           1HG      LYS  29  -7.454  -6.952  23.084
  248    HG3  LYS  29           2HG      LYS  29  -8.670  -8.232  23.190
  249    HD2  LYS  29           1HD      LYS  29  -8.062  -8.611  25.588
  250    HD3  LYS  29           2HD      LYS  29  -6.865  -7.317  25.471
  251    HE2  LYS  29           1HE      LYS  29  -8.783  -6.372  26.520
  252    HE3  LYS  29           2HE      LYS  29  -8.696  -5.701  24.890
  253    HZ1  LYS  29           3HZ      LYS  29 -10.952  -6.386  25.482
  254    HZ2  LYS  29           1HZ      LYS  29 -10.429  -7.287  24.227
  255    HZ3  LYS  29           2HZ      LYS  29 -10.479  -7.927  25.734
  256    H    ASN  30           H        ASN  30  -6.682 -11.292  21.247
  257    HA   ASN  30           HA       ASN  30  -4.094 -12.438  21.744
  258    HB2  ASN  30           1HB      ASN  30  -5.030 -14.509  21.165
  259    HB3  ASN  30           2HB      ASN  30  -6.303 -13.611  21.986
  260   HD21  ASN  30          2HD2      ASN  30  -6.214 -15.895  19.836
  261   HD22  ASN  30          1HD2      ASN  30  -7.353 -15.312  18.635
  262    H    ARG  31           H        ARG  31  -5.556 -11.275  18.799
  263    HA   ARG  31           HA       ARG  31  -2.979 -11.426  17.377
  264    HB2  ARG  31           1HB      ARG  31  -4.100 -13.584  16.890
  265    HB3  ARG  31           2HB      ARG  31  -5.473 -12.717  16.198
  266    HG2  ARG  31           1HG      ARG  31  -3.995 -11.728  14.469
  267    HG3  ARG  31           2HG      ARG  31  -2.585 -12.510  15.195
  268    HD2  ARG  31           1HD      ARG  31  -4.999 -13.985  14.058
  269    HD3  ARG  31           2HD      ARG  31  -3.500 -13.670  13.165
  270    HE   ARG  31           HE       ARG  31  -2.650 -14.917  15.486
  271   HH11  ARG  31          1HH1      ARG  31  -4.795 -15.878  12.839
  272   HH12  ARG  31          2HH1      ARG  31  -4.442 -17.567  13.048
  273   HH21  ARG  31          1HH2      ARG  31  -2.249 -17.109  15.706
  274   HH22  ARG  31          2HH2      ARG  31  -3.018 -18.249  14.645
  275    H    GLN  32           H        GLN  32  -2.906  -9.236  17.490
  276    HA   GLN  32           HA       GLN  32  -5.093  -7.524  16.577
  277    HB2  GLN  32           1HB      GLN  32  -3.555  -6.964  18.464
  278    HB3  GLN  32           2HB      GLN  32  -2.214  -6.837  17.315
  279    HG2  GLN  32           1HG      GLN  32  -3.309  -4.933  16.202
  280    HG3  GLN  32           2HG      GLN  32  -4.759  -5.159  17.186
  281   HE21  GLN  32          2HE2      GLN  32  -4.894  -3.585  18.791
  282   HE22  GLN  32          1HE2      GLN  32  -3.497  -2.942  19.638
  283    H    LYS  33           H        LYS  33  -5.095  -6.200  14.784
  284    HA   LYS  33           HA       LYS  33  -3.189  -6.700  12.544
  285    HB2  LYS  33           1HB      LYS  33  -6.230  -6.904  12.594
  286    HB3  LYS  33           2HB      LYS  33  -5.343  -6.588  11.101
  287    HG2  LYS  33           1HG      LYS  33  -4.095  -8.698  11.363
  288    HG3  LYS  33           2HG      LYS  33  -4.941  -9.034  12.885
  289    HD2  LYS  33           1HD      LYS  33  -7.095  -9.082  11.705
  290    HD3  LYS  33           2HD      LYS  33  -6.305  -8.711  10.168
  291    HE2  LYS  33           1HE      LYS  33  -5.680 -11.174  11.869
  292    HE3  LYS  33           2HE      LYS  33  -6.887 -11.158  10.580
  293    HZ1  LYS  33           3HZ      LYS  33  -4.784 -11.984   9.756
  294    HZ2  LYS  33           1HZ      LYS  33  -5.125 -10.576   9.007
  295    HZ3  LYS  33           2HZ      LYS  33  -3.984 -10.629  10.185
  296    H    PHE  34           H        PHE  34  -3.458  -5.051  10.811
  297    HA   PHE  34           HA       PHE  34  -4.112  -2.349  11.891
  298    HB2  PHE  34           1HB      PHE  34  -1.533  -3.162  10.500
  299    HB3  PHE  34           2HB      PHE  34  -1.959  -1.542  11.044
  300    HD1  PHE  34           1HD      PHE  34  -2.336  -1.135  13.552
  301    HD2  PHE  34           2HD      PHE  34  -0.557  -4.747  12.012
  302    HE1  PHE  34           1HE      PHE  34  -1.553  -1.725  15.834
  303    HE2  PHE  34           2HE      PHE  34   0.245  -5.325  14.287
  304    HZ   PHE  34           HZ       PHE  34  -0.272  -3.828  16.207
  305    H    MET  35           H        MET  35  -5.080  -1.047  10.563
  306    HA   MET  35           HA       MET  35  -5.326  -1.642   7.638
  307    HB2  MET  35           1HB      MET  35  -6.928   0.349   9.291
  308    HB3  MET  35           2HB      MET  35  -7.218  -0.164   7.622
  309    HG2  MET  35           1HG      MET  35  -7.518  -2.543   8.608
  310    HG3  MET  35           2HG      MET  35  -7.621  -1.738  10.177
  311    HE1  MET  35           3HE      MET  35 -10.856   0.479   9.743
  312    HE2  MET  35           1HE      MET  35  -9.458   0.092  10.766
  313    HE3  MET  35           2HE      MET  35  -9.239   1.026   9.267
  314    H    CYS  36           H        CYS  36  -4.867   0.082   6.179
  315    HA   CYS  36           HA       CYS  36  -3.470   2.460   7.235
  316    HB2  CYS  36           1HB      CYS  36  -1.783   0.638   7.045
  317    HB3  CYS  36           2HB      CYS  36  -2.209   0.440   5.331
  318    HG   CYS  36           HG       CYS  36  -1.308   3.317   6.736
  319    H    GLU  37           H        GLU  37  -3.353   4.179   5.851
  320    HA   GLU  37           HA       GLU  37  -4.464   3.906   3.141
  321    HB2  GLU  37           1HB      GLU  37  -5.639   5.998   3.317
  322    HB3  GLU  37           2HB      GLU  37  -6.260   4.856   4.507
  323    HG2  GLU  37           1HG      GLU  37  -5.020   6.002   6.298
  324    HG3  GLU  37           2HG      GLU  37  -4.306   7.115   5.120
  325    H    VAL  38           H        VAL  38  -3.646   5.446   1.639
  326    HA   VAL  38           HA       VAL  38  -1.384   7.149   2.516
  327    HB   VAL  38           HB       VAL  38  -0.456   4.974   1.724
  328   HG11  VAL  38          1HG1      VAL  38  -2.103   4.506  -0.092
  329   HG12  VAL  38          2HG1      VAL  38  -1.384   5.828  -1.040
  330   HG13  VAL  38          3HG1      VAL  38  -0.416   4.407  -0.622
  331   HG21  VAL  38          3HG2      VAL  38   1.300   5.953   0.309
  332   HG22  VAL  38          1HG2      VAL  38   0.307   7.374  -0.011
  333   HG23  VAL  38          2HG2      VAL  38   0.898   7.055   1.636
  334    H    ARG  39           H        ARG  39  -1.053   8.973   1.405
  335    HA   ARG  39           HA       ARG  39  -2.856   9.721  -0.854
  336    HB2  ARG  39           1HB      ARG  39  -2.384  11.325   1.702
  337    HB3  ARG  39           2HB      ARG  39  -3.313  11.866   0.297
  338    HG2  ARG  39           1HG      ARG  39  -4.904   9.967   0.649
  339    HG3  ARG  39           2HG      ARG  39  -4.016   9.521   2.119
  340    HD2  ARG  39           1HD      ARG  39  -4.468  11.809   3.034
  341    HD3  ARG  39           2HD      ARG  39  -5.469  12.141   1.614
  342    HE   ARG  39           HE       ARG  39  -6.008   9.858   3.513
  343   HH11  ARG  39          1HH1      ARG  39  -7.384  12.643   1.776
  344   HH12  ARG  39          2HH1      ARG  39  -8.985  12.256   2.334
  345   HH21  ARG  39          1HH2      ARG  39  -7.922   9.461   4.151
  346   HH22  ARG  39          2HH2      ARG  39  -9.320  10.438   3.698
  347    H    VAL  40           H        VAL  40  -2.143  11.592  -2.010
  348    HA   VAL  40           HA       VAL  40   0.660  12.518  -1.671
  349    HB   VAL  40           HB       VAL  40  -0.432  11.469  -4.320
  350   HG11  VAL  40          1HG1      VAL  40   1.091  13.372  -4.664
  351   HG12  VAL  40          2HG1      VAL  40   2.306  12.621  -3.604
  352   HG13  VAL  40          3HG1      VAL  40   1.877  11.876  -5.159
  353   HG21  VAL  40          3HG2      VAL  40   1.382   9.763  -4.184
  354   HG22  VAL  40          1HG2      VAL  40   1.782  10.325  -2.553
  355   HG23  VAL  40          2HG2      VAL  40   0.210   9.562  -2.879
  356    H    GLU  41           H        GLU  41   0.870  14.660  -2.147
  357    HA   GLU  41           HA       GLU  41  -1.423  16.307  -2.191
  358    HB2  GLU  41           1HB      GLU  41   0.804  16.916  -1.286
  359    HB3  GLU  41           2HB      GLU  41   1.441  17.036  -2.933
  360    HG2  GLU  41           1HG      GLU  41  -0.150  18.867  -3.425
  361    HG3  GLU  41           2HG      GLU  41  -0.876  18.687  -1.825
  362    H    GLY  42           H        GLY  42  -2.669  17.138  -3.750
  363    HA2  GLY  42           1HA      GLY  42  -3.235  18.027  -5.855
  364    HA3  GLY  42           2HA      GLY  42  -1.795  17.281  -6.586
  365    H    PHE  43           H        PHE  43  -3.242  14.870  -4.785
  366    HA   PHE  43           HA       PHE  43  -5.006  13.959  -7.030
  367    HB2  PHE  43           1HB      PHE  43  -3.265  12.315  -5.157
  368    HB3  PHE  43           2HB      PHE  43  -4.373  11.671  -6.358
  369    HD1  PHE  43           1HD      PHE  43  -3.868  11.825  -8.786
  370    HD2  PHE  43           2HD      PHE  43  -1.144  13.391  -5.834
  371    HE1  PHE  43           1HE      PHE  43  -2.101  12.029 -10.514
  372    HE2  PHE  43           2HE      PHE  43   0.608  13.606  -7.563
  373    HZ   PHE  43           HZ       PHE  43   0.140  12.918  -9.913
  374    H    ASN  44           H        ASN  44  -7.053  13.494  -6.559
  375    HA   ASN  44           HA       ASN  44  -8.093  14.187  -3.949
  376    HB2  ASN  44           1HB      ASN  44  -9.153  14.810  -6.094
  377    HB3  ASN  44           2HB      ASN  44  -9.458  13.106  -6.448
  378   HD21  ASN  44          2HD2      ASN  44 -10.240  15.747  -4.119
  379   HD22  ASN  44          1HD2      ASN  44 -11.786  15.064  -3.650
  380    H    TYR  45           H        TYR  45  -7.310  11.123  -5.470
  381    HA   TYR  45           HA       TYR  45  -9.019   9.470  -3.811
  382    HB2  TYR  45           1HB      TYR  45  -8.237   8.903  -6.108
  383    HB3  TYR  45           2HB      TYR  45  -6.596   8.735  -5.483
  384    HD1  TYR  45           1HD      TYR  45 -10.095   7.464  -4.926
  385    HD2  TYR  45           2HD      TYR  45  -5.879   6.565  -4.838
  386    HE1  TYR  45           1HE      TYR  45 -10.611   5.104  -4.340
  387    HE2  TYR  45           2HE      TYR  45  -6.392   4.200  -4.269
  388    HH   TYR  45           HH       TYR  45  -8.057   2.686  -3.659
  389    H    ALA  46           H        ALA  46  -8.351   7.912  -2.274
  390    HA   ALA  46           HA       ALA  46  -5.677   8.208  -1.006
  391    HB1  ALA  46           1HB      ALA  46  -7.308   9.440   0.401
  392    HB2  ALA  46           2HB      ALA  46  -8.331   7.991   0.494
  393    HB3  ALA  46           3HB      ALA  46  -6.710   7.981   1.219
  394    H    GLY  47           H        GLY  47  -4.694   6.320  -1.310
  395    HA2  GLY  47           1HA      GLY  47  -6.206   3.890  -2.009
  396    HA3  GLY  47           2HA      GLY  47  -4.440   4.059  -2.013
  397    H    MET  48           H        MET  48  -6.262   1.991  -0.841
  398    HA   MET  48           HA       MET  48  -5.404   2.157   2.025
  399    HB2  MET  48           1HB      MET  48  -8.199   1.515   1.002
  400    HB3  MET  48           2HB      MET  48  -7.646   1.340   2.670
  401    HG2  MET  48           1HG      MET  48  -7.066   3.811   2.649
  402    HG3  MET  48           2HG      MET  48  -7.847   3.916   1.077
  403    HE1  MET  48           3HE      MET  48  -9.970   3.211   5.131
  404    HE2  MET  48           1HE      MET  48  -8.887   1.980   4.461
  405    HE3  MET  48           2HE      MET  48  -8.248   3.576   4.916
  406    H    GLY  49           H        GLY  49  -5.123   0.340   3.158
  407    HA2  GLY  49           1HA      GLY  49  -5.552  -2.349   2.021
  408    HA3  GLY  49           2HA      GLY  49  -3.878  -1.868   2.257
  409    H    ASN  50           H        ASN  50  -4.553  -4.012   3.601
  410    HA   ASN  50           HA       ASN  50  -4.170  -3.171   6.355
  411    HB2  ASN  50           1HB      ASN  50  -6.012  -4.377   7.331
  412    HB3  ASN  50           2HB      ASN  50  -6.668  -3.245   6.162
  413   HD21  ASN  50          2HD2      ASN  50  -6.655  -6.526   7.165
  414   HD22  ASN  50          1HD2      ASN  50  -7.455  -7.188   5.752
  415    H    SER  51           H        SER  51  -3.504  -4.942   7.784
  416    HA   SER  51           HA       SER  51  -3.019  -7.619   6.824
  417    HB2  SER  51           1HB      SER  51  -1.262  -6.278   5.540
  418    HB3  SER  51           2HB      SER  51  -0.512  -5.926   7.099
  419    HG   SER  51           HG       SER  51  -0.031  -7.956   5.642
  420    H    THR  52           H        THR  52  -1.249  -8.669   8.382
  421    HA   THR  52           HA       THR  52  -2.006  -8.154  11.188
  422    HB   THR  52           HB       THR  52  -0.005 -10.156  10.094
  423    HG1  THR  52           1HG      THR  52  -1.698 -11.528   9.877
  424   HG21  THR  52          3HG2      THR  52  -0.759 -11.493  12.091
  425   HG22  THR  52          1HG2      THR  52   0.090 -10.015  12.540
  426   HG23  THR  52          2HG2      THR  52  -1.684 -10.081  12.649
  427    H    ASN  53           H        ASN  53   0.383  -6.970   9.065
  428    HA   ASN  53           HA       ASN  53   1.967  -5.861  11.343
  429    HB2  ASN  53           1HB      ASN  53   3.057  -7.043   8.757
  430    HB3  ASN  53           2HB      ASN  53   4.010  -6.180   9.957
  431   HD21  ASN  53          2HD2      ASN  53   2.807  -9.284   9.058
  432   HD22  ASN  53          1HD2      ASN  53   3.293 -10.115  10.525
  433    H    LYS  54           H        LYS  54   2.687  -3.794  11.115
  434    HA   LYS  54           HA       LYS  54   1.135  -2.024   9.511
  435    HB2  LYS  54           1HB      LYS  54   3.706  -1.577  11.093
  436    HB3  LYS  54           2HB      LYS  54   2.736  -0.286  10.385
  437    HG2  LYS  54           1HG      LYS  54   0.764  -1.071  11.753
  438    HG3  LYS  54           2HG      LYS  54   1.842  -2.233  12.552
  439    HD2  LYS  54           1HD      LYS  54   3.317  -0.286  13.241
  440    HD3  LYS  54           2HD      LYS  54   2.139   0.804  12.507
  441    HE2  LYS  54           1HE      LYS  54   1.653   0.827  14.818
  442    HE3  LYS  54           2HE      LYS  54   0.380  -0.145  14.073
  443    HZ1  LYS  54           3HZ      LYS  54   1.284  -1.168  16.096
  444    HZ2  LYS  54           1HZ      LYS  54   1.566  -2.137  14.812
  445    HZ3  LYS  54           2HZ      LYS  54   2.781  -1.238  15.450
  446    H    LYS  55           H        LYS  55   4.339  -3.382   8.836
  447    HA   LYS  55           HA       LYS  55   4.996  -1.551   6.658
  448    HB2  LYS  55           1HB      LYS  55   6.036  -4.276   7.546
  449    HB3  LYS  55           2HB      LYS  55   6.565  -3.517   6.055
  450    HG2  LYS  55           1HG      LYS  55   8.190  -3.057   7.712
  451    HG3  LYS  55           2HG      LYS  55   7.390  -1.544   7.287
  452    HD2  LYS  55           1HD      LYS  55   6.115  -1.582   9.385
  453    HD3  LYS  55           2HD      LYS  55   6.753  -3.201   9.772
  454    HE2  LYS  55           1HE      LYS  55   9.059  -2.263   9.812
  455    HE3  LYS  55           2HE      LYS  55   8.417  -0.658   9.437
  456    HZ1  LYS  55           3HZ      LYS  55   8.799  -0.934  11.816
  457    HZ2  LYS  55           1HZ      LYS  55   7.202  -0.725  11.546
  458    HZ3  LYS  55           2HZ      LYS  55   7.791  -2.215  11.889
  459    H    ASP  56           H        ASP  56   3.469  -4.783   6.758
  460    HA   ASP  56           HA       ASP  56   3.137  -4.905   3.876
  461    HB2  ASP  56           1HB      ASP  56   3.425  -6.862   5.397
  462    HB3  ASP  56           2HB      ASP  56   1.817  -6.561   6.043
  463    H    ALA  57           H        ALA  57   1.084  -3.816   6.579
  464    HA   ALA  57           HA       ALA  57  -1.295  -3.346   5.035
  465    HB1  ALA  57           1HB      ALA  57  -1.202  -3.377   7.526
  466    HB2  ALA  57           2HB      ALA  57  -0.275  -1.860   7.501
  467    HB3  ALA  57           3HB      ALA  57  -1.945  -1.896   6.899
  468    H    GLN  58           H        GLN  58   1.499  -1.171   5.734
  469    HA   GLN  58           HA       GLN  58   0.650   1.005   4.043
  470    HB2  GLN  58           1HB      GLN  58   3.376   0.041   4.997
  471    HB3  GLN  58           2HB      GLN  58   3.183   1.446   3.950
  472    HG2  GLN  58           1HG      GLN  58   1.916   2.648   5.598
  473    HG3  GLN  58           2HG      GLN  58   1.760   1.221   6.627
  474   HE21  GLN  58          2HE2      GLN  58   3.642   0.460   7.776
  475   HE22  GLN  58          1HE2      GLN  58   5.012   1.545   8.055
  476    H    SER  59           H        SER  59   2.571  -1.948   3.306
  477    HA   SER  59           HA       SER  59   3.106  -1.284   0.576
  478    HB2  SER  59           1HB      SER  59   2.704  -4.031   1.824
  479    HB3  SER  59           2HB      SER  59   3.452  -3.695   0.262
  480    HG   SER  59           HG       SER  59   4.404  -2.861   2.831
  481    H    ASN  60           H        ASN  60   0.250  -2.833   2.062
  482    HA   ASN  60           HA       ASN  60  -1.036  -3.340  -0.500
  483    HB2  ASN  60           1HB      ASN  60  -2.055  -3.408   2.361
  484    HB3  ASN  60           2HB      ASN  60  -3.026  -3.859   0.957
  485   HD21  ASN  60          2HD2      ASN  60  -2.349  -5.674   3.166
  486   HD22  ASN  60          1HD2      ASN  60  -1.312  -6.906   2.487
  487    H    ALA  61           H        ALA  61  -1.193  -0.660   1.872
  488    HA   ALA  61           HA       ALA  61  -3.218   0.858   0.480
  489    HB1  ALA  61           1HB      ALA  61  -2.490   1.269   2.837
  490    HB2  ALA  61           2HB      ALA  61  -0.911   1.825   2.232
  491    HB3  ALA  61           3HB      ALA  61  -2.384   2.726   1.829
  492    H    ALA  62           H        ALA  62   0.366   0.859   0.225
  493    HA   ALA  62           HA       ALA  62   0.580   2.797  -1.848
  494    HB1  ALA  62           1HB      ALA  62   2.441   1.996  -0.421
  495    HB2  ALA  62           2HB      ALA  62   2.364   0.407  -1.206
  496    HB3  ALA  62           3HB      ALA  62   2.826   1.841  -2.149
  497    H    ARG  63           H        ARG  63   0.386  -0.795  -2.095
  498    HA   ARG  63           HA       ARG  63   0.391  -1.061  -4.875
  499    HB2  ARG  63           1HB      ARG  63   0.448  -2.934  -3.231
  500    HB3  ARG  63           2HB      ARG  63  -1.230  -2.620  -2.816
  501    HG2  ARG  63           1HG      ARG  63  -1.142  -4.525  -4.253
  502    HG3  ARG  63           2HG      ARG  63  -1.913  -3.215  -5.143
  503    HD2  ARG  63           1HD      ARG  63   0.244  -2.785  -6.335
  504    HD3  ARG  63           2HD      ARG  63   0.989  -4.107  -5.411
  505    HE   ARG  63           HE       ARG  63  -1.391  -5.015  -6.740
  506   HH11  ARG  63          1HH2      ARG  63   2.022  -4.337  -7.404
  507   HH12  ARG  63          2HH2      ARG  63   2.055  -5.380  -8.781
  508   HH21  ARG  63          1HH1      ARG  63  -1.280  -6.344  -8.542
  509   HH22  ARG  63          2HH1      ARG  63   0.206  -6.498  -9.424
  510    H    ASP  64           H        ASP  64  -2.442  -0.336  -2.782
  511    HA   ASP  64           HA       ASP  64  -4.318  -0.296  -4.971
  512    HB2  ASP  64           1HB      ASP  64  -4.919  -0.767  -2.634
  513    HB3  ASP  64           2HB      ASP  64  -4.503   0.889  -2.184
  514    H    PHE  65           H        PHE  65  -2.428   2.330  -3.385
  515    HA   PHE  65           HA       PHE  65  -3.675   4.408  -4.973
  516    HB2  PHE  65           1HB      PHE  65  -2.529   4.744  -2.764
  517    HB3  PHE  65           2HB      PHE  65  -0.986   4.531  -3.575
  518    HD1  PHE  65           1HD      PHE  65  -4.016   6.675  -3.298
  519    HD2  PHE  65           2HD      PHE  65  -0.109   6.294  -5.057
  520    HE1  PHE  65           1HE      PHE  65  -4.110   9.048  -4.013
  521    HE2  PHE  65           2HE      PHE  65  -0.196   8.683  -5.745
  522    HZ   PHE  65           HZ       PHE  65  -2.199  10.051  -5.245
  523    H    VAL  66           H        VAL  66  -0.683   2.477  -5.398
  524    HA   VAL  66           HA       VAL  66   0.174   3.737  -7.839
  525    HB   VAL  66           HB       VAL  66   0.560   0.908  -6.795
  526   HG11  VAL  66          1HG1      VAL  66   0.823   0.706  -9.202
  527   HG12  VAL  66          2HG1      VAL  66   1.773   2.208  -9.272
  528   HG13  VAL  66          3HG1      VAL  66   2.435   0.762  -8.479
  529   HG21  VAL  66          3HG2      VAL  66   2.776   1.686  -6.220
  530   HG22  VAL  66          1HG2      VAL  66   2.508   3.241  -7.049
  531   HG23  VAL  66          2HG2      VAL  66   1.619   2.853  -5.571
  532    H    ASN  67           H        ASN  67  -2.034   0.977  -7.252
  533    HA   ASN  67           HA       ASN  67  -2.788   0.637 -10.007
  534    HB2  ASN  67           1HB      ASN  67  -4.032  -0.173  -7.386
  535    HB3  ASN  67           2HB      ASN  67  -4.995  -0.264  -8.858
  536   HD21  ASN  67          2HD2      ASN  67  -2.033  -1.504  -7.318
  537   HD22  ASN  67          1HD2      ASN  67  -1.856  -2.871  -8.422
  538    H    TYR  68           H        TYR  68  -4.032   3.010  -7.595
  539    HA   TYR  68           HA       TYR  68  -6.071   4.094  -9.370
  540    HB2  TYR  68           1HB      TYR  68  -6.374   4.696  -7.180
  541    HB3  TYR  68           2HB      TYR  68  -4.685   5.024  -6.884
  542    HD1  TYR  68           2HD      TYR  68  -7.689   6.361  -8.684
  543    HD2  TYR  68           1HD      TYR  68  -3.768   7.194  -7.087
  544    HE1  TYR  68           2HE      TYR  68  -8.049   8.791  -9.069
  545    HE2  TYR  68           1HE      TYR  68  -4.120   9.616  -7.475
  546    HH   TYR  68           HH       TYR  68  -7.187  10.911  -8.836
  547    H    LEU  69           H        LEU  69  -2.623   5.014  -8.830
  548    HA   LEU  69           HA       LEU  69  -2.552   7.060 -10.810
  549    HB2  LEU  69           1HB      LEU  69  -0.336   5.239  -9.824
  550    HB3  LEU  69           2HB      LEU  69  -0.118   6.687 -10.804
  551    HG   LEU  69           HG       LEU  69  -1.329   6.747  -8.018
  552   HD11  LEU  69          1HD1      LEU  69   0.964   5.927  -7.908
  553   HD12  LEU  69          2HD1      LEU  69   1.517   7.224  -8.981
  554   HD13  LEU  69          3HD1      LEU  69   0.928   7.605  -7.355
  555   HD21  LEU  69          3HD2      LEU  69  -0.786   9.176  -8.174
  556   HD22  LEU  69          1HD2      LEU  69  -0.347   8.946  -9.880
  557   HD23  LEU  69          2HD2      LEU  69  -2.016   8.671  -9.334
  558    H    VAL  70           H        VAL  70  -2.050   3.553 -11.221
  559    HA   VAL  70           HA       VAL  70  -1.557   3.686 -14.059
  560    HB   VAL  70           HB       VAL  70  -2.712   1.434 -12.381
  561   HG11  VAL  70          1HG1      VAL  70  -3.417   1.032 -14.698
  562   HG12  VAL  70          2HG1      VAL  70  -1.775   1.371 -15.288
  563   HG13  VAL  70          3HG1      VAL  70  -2.100  -0.067 -14.291
  564   HG21  VAL  70          3HG2      VAL  70  -0.488   0.452 -12.552
  565   HG22  VAL  70          1HG2      VAL  70   0.067   1.789 -13.584
  566   HG23  VAL  70          2HG2      VAL  70  -0.347   2.082 -11.888
  567    H    ARG  71           H        ARG  71  -4.599   3.284 -12.212
  568    HA   ARG  71           HA       ARG  71  -6.339   3.133 -14.472
  569    HB2  ARG  71           1HB      ARG  71  -6.791   3.884 -11.573
  570    HB3  ARG  71           2HB      ARG  71  -8.101   3.924 -12.749
  571    HG2  ARG  71           1HG      ARG  71  -7.862   1.591 -13.275
  572    HG3  ARG  71           2HG      ARG  71  -6.415   1.426 -12.286
  573    HD2  ARG  71           1HD      ARG  71  -9.145   2.220 -11.179
  574    HD3  ARG  71           2HD      ARG  71  -8.560   0.549 -11.265
  575    HE   ARG  71           HE       ARG  71  -6.550   1.962  -9.958
  576   HH11  ARG  71          1HH2      ARG  71  -9.911   1.100  -9.273
  577   HH12  ARG  71          2HH2      ARG  71  -9.668   1.102  -7.552
  578   HH21  ARG  71          1HH1      ARG  71  -6.332   2.017  -7.649
  579   HH22  ARG  71          2HH1      ARG  71  -7.674   1.539  -6.673
  580    H    ILE  72           H        ILE  72  -4.852   5.967 -13.038
  581    HA   ILE  72           HA       ILE  72  -6.345   7.697 -14.986
  582    HB   ILE  72           HB       ILE  72  -5.667   9.610 -13.741
  583   HG12  ILE  72          1HG1      ILE  72  -4.374   7.885 -11.618
  584   HG13  ILE  72          2HG1      ILE  72  -3.423   8.579 -12.928
  585   HG21  ILE  72          1HG2      ILE  72  -7.715   8.349 -13.081
  586   HG22  ILE  72          2HG2      ILE  72  -6.778   7.510 -11.826
  587   HG23  ILE  72          3HG2      ILE  72  -7.014   9.266 -11.743
  588   HD11  ILE  72          3HD1      ILE  72  -3.295   9.978 -10.950
  589   HD12  ILE  72          1HD1      ILE  72  -4.131  10.850 -12.249
  590   HD13  ILE  72          2HD1      ILE  72  -5.057  10.152 -10.901
  591    H    ASN  73           H        ASN  73  -3.731   5.888 -15.280
  592    HA   ASN  73           HA       ASN  73  -2.082   5.772 -16.750
  593    HB2  ASN  73           1HB      ASN  73  -3.164   8.293 -18.056
  594    HB3  ASN  73           2HB      ASN  73  -2.140   7.068 -18.784
  595   HD21  ASN  73          2HD2      ASN  73  -5.361   8.047 -18.438
  596   HD22  ASN  73          1HD2      ASN  73  -6.113   6.537 -18.928
  597    H    GLU  74           H        GLU  74  -1.737   7.599 -14.301
  598    HA   GLU  74           HA       GLU  74   0.596   9.249 -15.100
  599    HB2  GLU  74           1HB      GLU  74  -0.851   8.863 -12.457
  600    HB3  GLU  74           2HB      GLU  74   0.583   9.864 -12.658
  601    HG2  GLU  74           1HG      GLU  74  -2.064  10.304 -14.085
  602    HG3  GLU  74           2HG      GLU  74  -1.462  11.214 -12.704
  603    H    VAL  75           H        VAL  75   0.091   6.047 -14.237
  604    HA   VAL  75           HA       VAL  75   3.029   5.602 -14.028
  605    HB   VAL  75           HB       VAL  75   0.892   4.186 -12.359
  606   HG11  VAL  75          1HG1      VAL  75   2.507   2.495 -13.163
  607   HG12  VAL  75          2HG1      VAL  75   3.864   3.551 -12.673
  608   HG13  VAL  75          3HG1      VAL  75   2.791   2.821 -11.458
  609   HG21  VAL  75          3HG2      VAL  75   2.064   4.917 -10.409
  610   HG22  VAL  75          1HG2      VAL  75   3.446   5.470 -11.360
  611   HG23  VAL  75          2HG2      VAL  75   1.922   6.366 -11.423
  612    H    LYS  76           H        LYS  76   3.690   4.007 -15.468
  613    HA   LYS  76           HA       LYS  76   1.622   2.624 -17.105
  614    HB2  LYS  76           1HB      LYS  76   4.660   2.574 -17.327
  615    HB3  LYS  76           2HB      LYS  76   3.518   1.802 -18.412
  616    HG2  LYS  76           1HG      LYS  76   2.519   4.191 -18.789
  617    HG3  LYS  76           2HG      LYS  76   3.988   4.766 -18.000
  618    HD2  LYS  76           1HD      LYS  76   4.799   4.811 -20.110
  619    HD3  LYS  76           2HD      LYS  76   5.137   3.110 -19.831
  620    HE2  LYS  76           1HE      LYS  76   2.712   4.317 -21.255
  621    HE3  LYS  76           2HE      LYS  76   4.078   3.508 -22.023
  622    HZ1  LYS  76           3HZ      LYS  76   2.210   2.017 -21.861
  623    HZ2  LYS  76           1HZ      LYS  76   3.389   1.433 -20.898
  624    HZ3  LYS  76           2HZ      LYS  76   2.100   2.196 -20.244
  625    H    SER  77           H        SER  77   1.004   0.568 -16.723
  626    HA   SER  77           HA       SER  77   1.509  -0.735 -14.292
  627    HB2  SER  77           1HB      SER  77   0.333  -2.616 -15.191
  628    HB3  SER  77           2HB      SER  77  -0.435  -1.134 -15.762
  629    HG   SER  77           HG       SER  77   0.934  -1.487 -17.761
  630    H    GLU  78           H        GLU  78   3.255  -1.144 -17.338
  631    HA   GLU  78           HA       GLU  78   4.692  -3.488 -16.795
  632    HB2  GLU  78           1HB      GLU  78   5.778  -1.129 -18.380
  633    HB3  GLU  78           2HB      GLU  78   6.172  -2.835 -18.551
  634    HG2  GLU  78           1HG      GLU  78   4.766  -2.627 -20.326
  635    HG3  GLU  78           2HG      GLU  78   3.571  -3.071 -19.113
  636    H    GLU  79           H        GLU  79   5.197  -0.329 -15.393
  637    HA   GLU  79           HA       GLU  79   7.957  -0.878 -14.503
  638    HB2  GLU  79           1HB      GLU  79   6.031   1.406 -13.917
  639    HB3  GLU  79           2HB      GLU  79   7.707   1.335 -13.413
  640    HG2  GLU  79           1HG      GLU  79   6.719   1.420 -16.299
  641    HG3  GLU  79           2HG      GLU  79   7.392   2.768 -15.393
  642    H    VAL  80           H        VAL  80   4.794  -1.559 -13.321
  643    HA   VAL  80           HA       VAL  80   5.278  -0.975 -10.524
  644    HB   VAL  80           HB       VAL  80   3.009  -2.558 -11.788
  645   HG11  VAL  80          1HG1      VAL  80   3.166  -3.064  -9.397
  646   HG12  VAL  80          2HG1      VAL  80   3.274  -1.337  -9.009
  647   HG13  VAL  80          3HG1      VAL  80   1.779  -2.012  -9.691
  648   HG21  VAL  80          3HG2      VAL  80   1.715  -0.459 -11.546
  649   HG22  VAL  80          1HG2      VAL  80   3.170   0.374 -10.956
  650   HG23  VAL  80          2HG2      VAL  80   3.092  -0.220 -12.623
  651    HA   PRO  81           HA       PRO  81   7.297  -4.941  -9.782
  652    HB2  PRO  81           1HB      PRO  81   7.684  -4.815  -7.080
  653    HB3  PRO  81           2HB      PRO  81   8.608  -3.816  -8.244
  654    HG2  PRO  81           1HG      PRO  81   6.145  -3.026  -6.658
  655    HG3  PRO  81           2HG      PRO  81   7.689  -2.131  -6.830
  656    HD2  PRO  81           1HD      PRO  81   5.518  -1.549  -8.367
  657    HD3  PRO  81           2HD      PRO  81   7.172  -1.474  -9.040
  658    H    ALA  82           H        ALA  82   6.714  -6.992  -9.196
  659    HA   ALA  82           HA       ALA  82   4.423  -7.581  -7.481
  660    HB1  ALA  82           1HB      ALA  82   3.364  -7.031  -9.680
  661    HB2  ALA  82           2HB      ALA  82   4.378  -8.255 -10.467
  662    HB3  ALA  82           3HB      ALA  82   3.158  -8.744  -9.271
  663    H    VAL  83           H        VAL  83   4.174  -9.933  -7.132
  664    HA   VAL  83           HA       VAL  83   6.558 -11.279  -6.707
  665    HB   VAL  83           HB       VAL  83   4.146 -11.448  -5.707
  666   HG11  VAL  83          1HG1      VAL  83   3.026 -12.352  -7.738
  667   HG12  VAL  83          2HG1      VAL  83   3.970 -13.852  -7.564
  668   HG13  VAL  83          3HG1      VAL  83   2.827 -13.368  -6.301
  669   HG21  VAL  83          3HG2      VAL  83   4.717 -13.521  -4.614
  670   HG22  VAL  83          1HG2      VAL  83   5.957 -13.865  -5.849
  671   HG23  VAL  83          2HG2      VAL  83   6.115 -12.444  -4.781
  672    H    GLY  84           H        GLY  84   4.871 -11.117  -9.690
  673    HA2  GLY  84           1HA      GLY  84   6.778 -12.590 -11.173
  674    HA3  GLY  84           2HA      GLY  84   5.377 -13.619 -10.924
  675    H    ILE  85           H        ILE  85   5.839 -13.124 -13.435
  676    HA   ILE  85           HA       ILE  85   4.326 -10.760 -14.420
  677    HB   ILE  85           HB       ILE  85   5.695 -12.993 -15.966
  678   HG12  ILE  85          1HG1      ILE  85   6.594 -10.124 -15.397
  679   HG13  ILE  85          2HG1      ILE  85   7.292 -11.573 -14.677
  680   HG21  ILE  85          1HG2      ILE  85   3.803 -11.920 -17.207
  681   HG22  ILE  85          2HG2      ILE  85   4.538 -10.328 -16.926
  682   HG23  ILE  85          3HG2      ILE  85   5.352 -11.543 -17.935
  683   HD11  ILE  85          3HD1      ILE  85   8.759 -10.861 -16.411
  684   HD12  ILE  85          1HD1      ILE  85   7.973 -12.354 -16.961
  685   HD13  ILE  85          2HD1      ILE  85   7.454 -10.772 -17.600
  686    H    VAL  86           H        VAL  86   2.171 -10.899 -14.306
  687    HA   VAL  86           HA       VAL  86   0.711 -13.320 -15.162
  688    HB   VAL  86           HB       VAL  86  -0.780 -13.049 -13.169
  689   HG11  VAL  86          1HG1      VAL  86   0.909 -14.863 -13.297
  690   HG12  VAL  86          2HG1      VAL  86   2.057 -13.829 -12.412
  691   HG13  VAL  86          3HG1      VAL  86   0.553 -14.360 -11.637
  692   HG21  VAL  86          3HG2      VAL  86   0.006 -11.984 -11.122
  693   HG22  VAL  86          1HG2      VAL  86   1.447 -11.374 -11.953
  694   HG23  VAL  86          2HG2      VAL  86  -0.169 -10.790 -12.409
  695    HA   PRO  87           HA       PRO  87  -2.063 -10.219 -16.840
  696    HB2  PRO  87           1HB      PRO  87  -4.431 -11.587 -17.033
  697    HB3  PRO  87           2HB      PRO  87  -3.019 -11.934 -18.077
  698    HG2  PRO  87           1HG      PRO  87  -3.844 -13.360 -15.525
  699    HG3  PRO  87           2HG      PRO  87  -3.425 -14.087 -17.112
  700    HD2  PRO  87           1HD      PRO  87  -1.604 -13.892 -15.107
  701    HD3  PRO  87           2HD      PRO  87  -1.124 -13.644 -16.810
  702    HA   PRO  88           HA       PRO  88  -4.028  -8.364 -13.357
  703    HB2  PRO  88           1HB      PRO  88  -6.039  -6.819 -14.419
  704    HB3  PRO  88           2HB      PRO  88  -4.297  -6.462 -14.625
  705    HG2  PRO  88           1HG      PRO  88  -6.134  -7.934 -16.544
  706    HG3  PRO  88           2HG      PRO  88  -5.004  -6.589 -16.907
  707    HD2  PRO  88           1HD      PRO  88  -4.315  -9.181 -17.331
  708    HD3  PRO  88           2HD      PRO  88  -3.117  -8.004 -16.717
  709    HA   PRO  89           HA       PRO  89  -7.387 -11.038 -12.200
  710    HB2  PRO  89           1HB      PRO  89  -8.195  -9.972  -9.829
  711    HB3  PRO  89           2HB      PRO  89  -6.568 -10.686 -10.050
  712    HG2  PRO  89           1HG      PRO  89  -7.350  -7.754 -10.228
  713    HG3  PRO  89           2HG      PRO  89  -6.019  -8.484  -9.271
  714    HD2  PRO  89           1HD      PRO  89  -5.596  -7.397 -11.738
  715    HD3  PRO  89           2HD      PRO  89  -4.712  -8.856 -11.196
  716    H    SER  90           H        SER  90  -9.709 -11.148 -11.752
  717    HA   SER  90           HA       SER  90 -11.446  -8.852 -12.133
  718    HB2  SER  90           1HB      SER  90 -10.750  -9.405 -14.486
  719    HB3  SER  90           2HB      SER  90 -11.455 -11.016 -14.271
  720    HG   SER  90           HG       SER  90 -12.917  -9.505 -15.264
  721    H    GLY  91           H        GLY  91 -13.672  -9.383 -11.696
  722    HA2  GLY  91           1HA      GLY  91 -15.395 -10.568 -10.632
  723    HA3  GLY  91           2HA      GLY  91 -14.416 -12.045 -10.732
  724    HA   PRO  92           HA       PRO  92 -14.625 -10.961  -6.230
  725    HB2  PRO  92           1HB      PRO  92 -14.016 -13.922  -6.194
  726    HB3  PRO  92           2HB      PRO  92 -15.101 -12.981  -5.123
  727    HG2  PRO  92           1HG      PRO  92 -16.142 -14.458  -7.134
  728    HG3  PRO  92           2HG      PRO  92 -16.754 -12.793  -6.850
  729    HD2  PRO  92           1HD      PRO  92 -14.721 -13.725  -8.900
  730    HD3  PRO  92           2HD      PRO  92 -16.122 -12.631  -9.116
  731    H    SER  93           H        SER  93 -12.956 -10.667  -4.730
  732    HA   SER  93           HA       SER  93 -10.308 -10.491  -5.775
  733    HB2  SER  93           1HB      SER  93 -11.235 -10.187  -2.898
  734    HB3  SER  93           2HB      SER  93  -9.756  -9.528  -3.616
  735    HG   SER  93           HG       SER  93 -11.435  -7.949  -3.485
  736    H    SER  94           H        SER  94 -11.720 -13.262  -4.557
  737    HA   SER  94           HA       SER  94  -9.136 -14.566  -3.883
  738    HB2  SER  94           1HB      SER  94 -11.569 -14.551  -2.049
  739    HB3  SER  94           2HB      SER  94 -10.154 -15.595  -1.862
  740    HG   SER  94           HG       SER  94 -10.045 -13.719  -0.523
  741    H    GLY  95           H        GLY  95  -9.111 -16.783  -4.262
  742    HA2  GLY  95           1HA      GLY  95 -11.306 -18.524  -4.631
  743    HA3  GLY  95           2HA      GLY  95 -10.879 -17.888  -6.220
  Start of MODEL   13
    1    H1   GLY  -3           1H       GLY  -3  17.530  -2.562  18.139
    2    H2   GLY  -3           2H       GLY  -3  18.978  -2.410  17.393
    3    H3   GLY  -3           3H       GLY  -3  18.485  -1.271  18.464
    4    HA2  GLY  -3           1HA      GLY  -3  16.674  -0.608  17.030
    5    HA3  GLY  -3           2HA      GLY  -3  18.246  -0.433  16.229
    6    H    SER  -2           H        SER  -2  16.018  -0.560  14.669
    7    HA   SER  -2           HA       SER  -2  16.429  -2.895  12.996
    8    HB2  SER  -2           1HB      SER  -2  14.112  -3.735  13.124
    9    HB3  SER  -2           2HB      SER  -2  14.982  -3.949  14.644
   10    HG   SER  -2           HG       SER  -2  12.857  -3.141  14.986
   11    H    SER  -1           H        SER  -1  14.961  -2.833  11.049
   12    HA   SER  -1           HA       SER  -1  13.526  -0.433  10.305
   13    HB2  SER  -1           1HB      SER  -1  16.354  -0.877   9.272
   14    HB3  SER  -1           2HB      SER  -1  15.146   0.023   8.347
   15    HG   SER  -1           HG       SER  -1  15.673   0.696  11.043
   16    H    GLY   0           H        GLY   0  12.612  -0.624   8.130
   17    HA2  GLY   0           1HA      GLY   0  13.063  -2.845   6.406
   18    HA3  GLY   0           2HA      GLY   0  11.697  -3.226   7.426
   19    H    SER   1           H        SER   1  11.459  -3.077   4.715
   20    HA   SER   1           HA       SER   1   9.323  -1.222   4.203
   21    HB2  SER   1           1HB      SER   1  11.363   0.289   4.010
   22    HB3  SER   1           2HB      SER   1  11.878  -0.702   2.639
   23    HG   SER   1           HG       SER   1  10.639   1.211   2.078
   24    H    SER   2           H        SER   2   9.538  -1.282   1.336
   25    HA   SER   2           HA       SER   2   9.903  -4.072   0.488
   26    HB2  SER   2           1HB      SER   2   7.646  -4.518  -0.129
   27    HB3  SER   2           2HB      SER   2   7.618  -4.005   1.561
   28    HG   SER   2           HG       SER   2   6.118  -2.742   0.808
   29    H    GLY   3           H        GLY   3   9.291  -4.362  -1.873
   30    HA2  GLY   3           1HA      GLY   3  10.627  -2.380  -3.452
   31    HA3  GLY   3           2HA      GLY   3   9.711  -3.776  -4.068
   32    H    ILE   4           H        ILE   4   7.168  -2.916  -2.809
   33    HA   ILE   4           HA       ILE   4   6.372  -0.950  -4.846
   34    HB   ILE   4           HB       ILE   4   4.993  -2.948  -4.350
   35   HG12  ILE   4          1HG1      ILE   4   2.809  -1.830  -4.310
   36   HG13  ILE   4          2HG1      ILE   4   3.561  -0.293  -3.902
   37   HG21  ILE   4          1HG2      ILE   4   5.241  -3.035  -1.887
   38   HG22  ILE   4          2HG2      ILE   4   4.262  -1.556  -1.736
   39   HG23  ILE   4          3HG2      ILE   4   3.551  -3.040  -2.387
   40   HD11  ILE   4          3HD1      ILE   4   2.971  -0.538  -6.315
   41   HD12  ILE   4          1HD1      ILE   4   4.703  -0.273  -6.097
   42   HD13  ILE   4          2HD1      ILE   4   4.082  -1.909  -6.444
   43    H    LYS   5           H        LYS   5   6.840  -0.930  -1.322
   44    HA   LYS   5           HA       LYS   5   5.982   1.784  -0.875
   45    HB2  LYS   5           1HB      LYS   5   7.918  -0.139   0.469
   46    HB3  LYS   5           2HB      LYS   5   7.803   1.520   1.024
   47    HG2  LYS   5           1HG      LYS   5   5.296  -0.165   0.729
   48    HG3  LYS   5           2HG      LYS   5   6.316  -0.337   2.158
   49    HD2  LYS   5           1HD      LYS   5   5.335   2.385   1.241
   50    HD3  LYS   5           2HD      LYS   5   4.341   1.344   2.261
   51    HE2  LYS   5           1HE      LYS   5   6.029   1.289   4.012
   52    HE3  LYS   5           2HE      LYS   5   7.215   2.084   2.978
   53    HZ1  LYS   5           3HZ      LYS   5   6.222   3.631   4.558
   54    HZ2  LYS   5           1HZ      LYS   5   5.881   4.088   3.028
   55    HZ3  LYS   5           2HZ      LYS   5   4.724   3.379   3.942
   56    H    ASN   6           H        ASN   6   9.193   0.427  -1.744
   57    HA   ASN   6           HA       ASN   6  10.506   2.946  -2.029
   58    HB2  ASN   6           1HB      ASN   6  11.633   0.722  -1.830
   59    HB3  ASN   6           2HB      ASN   6  11.051   0.319  -3.452
   60   HD21  ASN   6          2HD2      ASN   6  12.704   0.510  -4.939
   61   HD22  ASN   6          1HD2      ASN   6  13.918   1.777  -4.905
   62    H    PHE   7           H        PHE   7   8.556   1.040  -4.385
   63    HA   PHE   7           HA       PHE   7   9.237   2.630  -6.669
   64    HB2  PHE   7           1HB      PHE   7   8.349   0.361  -6.834
   65    HB3  PHE   7           2HB      PHE   7   6.823   0.872  -6.117
   66    HD1  PHE   7           2HD      PHE   7   9.004   1.139  -9.116
   67    HD2  PHE   7           1HD      PHE   7   5.148   2.057  -7.422
   68    HE1  PHE   7           2HE      PHE   7   8.165   1.777 -11.362
   69    HE2  PHE   7           1HE      PHE   7   4.318   2.706  -9.665
   70    HZ   PHE   7           HZ       PHE   7   5.818   2.556 -11.645
   71    H    LEU   8           H        LEU   8   6.389   2.815  -4.424
   72    HA   LEU   8           HA       LEU   8   5.245   5.095  -5.731
   73    HB2  LEU   8           1HB      LEU   8   4.032   3.618  -4.146
   74    HB3  LEU   8           2HB      LEU   8   5.053   4.197  -2.823
   75    HG   LEU   8           HG       LEU   8   4.137   6.436  -2.975
   76   HD11  LEU   8          1HD1      LEU   8   3.734   6.683  -5.400
   77   HD12  LEU   8          2HD1      LEU   8   2.443   5.464  -5.321
   78   HD13  LEU   8          3HD1      LEU   8   2.273   7.027  -4.486
   79   HD21  LEU   8          3HD2      LEU   8   1.822   5.981  -2.306
   80   HD22  LEU   8          1HD2      LEU   8   1.892   4.380  -3.074
   81   HD23  LEU   8          2HD2      LEU   8   2.901   4.736  -1.656
   82    H    TYR   9           H        TYR   9   7.568   4.862  -2.994
   83    HA   TYR   9           HA       TYR   9   7.761   7.652  -2.537
   84    HB2  TYR   9           1HB      TYR   9   8.530   5.837  -1.018
   85    HB3  TYR   9           2HB      TYR   9   9.877   5.511  -2.099
   86    HD1  TYR   9           1HD      TYR   9   8.386   7.966   0.255
   87    HD2  TYR   9           2HD      TYR   9  11.828   6.985  -2.150
   88    HE1  TYR   9           1HE      TYR   9   9.693   9.746   1.405
   89    HE2  TYR   9           2HE      TYR   9  13.139   8.761  -1.007
   90    HH   TYR   9           HH       TYR   9  13.125  10.423   0.588
   91    H    ALA  10           H        ALA  10   9.750   5.557  -4.687
   92    HA   ALA  10           HA       ALA  10  11.431   7.659  -5.689
   93    HB1  ALA  10           1HB      ALA  10  11.994   5.259  -5.830
   94    HB2  ALA  10           2HB      ALA  10  10.628   4.991  -6.939
   95    HB3  ALA  10           3HB      ALA  10  11.996   6.008  -7.438
   96    H    TRP  11           H        TRP  11   8.296   6.370  -6.918
   97    HA   TRP  11           HA       TRP  11   8.150   7.976  -9.269
   98    HB2  TRP  11           1HB      TRP  11   6.716   6.040  -8.817
   99    HB3  TRP  11           2HB      TRP  11   5.970   6.862  -7.463
  100    HD1  TRP  11           HD       TRP  11   5.854   6.674 -11.252
  101    HE1  TRP  11           1HE      TRP  11   3.837   7.984 -12.122
  102    HE3  TRP  11           3HE      TRP  11   4.339   8.838  -6.870
  103    HZ2  TRP  11           2HZ      TRP  11   1.970   9.949 -11.091
  104    HZ3  TRP  11           3HZ      TRP  11   2.394  10.369  -6.828
  105    HH2  TRP  11           HH       TRP  11   1.207  10.940  -8.935
  106    H    CYS  12           H        CYS  12   6.926   8.601  -5.967
  107    HA   CYS  12           HA       CYS  12   5.986  11.276  -6.383
  108    HB2  CYS  12           1HB      CYS  12   7.148   9.888  -3.927
  109    HB3  CYS  12           2HB      CYS  12   6.393  11.485  -3.898
  110    HG   CYS  12           HG       CYS  12   5.096   8.560  -4.677
  111    H    GLY  13           H        GLY  13   9.252  10.152  -5.376
  112    HA2  GLY  13           1HA      GLY  13  10.411  12.733  -5.089
  113    HA3  GLY  13           2HA      GLY  13  11.295  11.206  -5.318
  114    H    LYS  14           H        LYS  14   9.999  10.770  -8.010
  115    HA   LYS  14           HA       LYS  14  11.766  12.432  -9.675
  116    HB2  LYS  14           1HB      LYS  14   9.750  10.217 -10.218
  117    HB3  LYS  14           2HB      LYS  14  10.583  11.081 -11.517
  118    HG2  LYS  14           1HG      LYS  14  12.760  10.381 -10.721
  119    HG3  LYS  14           2HG      LYS  14  12.064   9.630  -9.281
  120    HD2  LYS  14           1HD      LYS  14  10.814   8.028 -10.709
  121    HD3  LYS  14           2HD      LYS  14  11.527   8.774 -12.158
  122    HE2  LYS  14           1HE      LYS  14  13.805   8.211 -11.303
  123    HE3  LYS  14           2HE      LYS  14  13.079   7.446  -9.884
  124    HZ1  LYS  14           3HZ      LYS  14  13.622   5.814 -11.590
  125    HZ2  LYS  14           1HZ      LYS  14  12.002   5.852 -11.383
  126    HZ3  LYS  14           2HZ      LYS  14  12.679   6.563 -12.692
  127    H    ARG  15           H        ARG  15   8.721  12.899  -8.354
  128    HA   ARG  15           HA       ARG  15   7.894  14.932 -10.385
  129    HB2  ARG  15           1HB      ARG  15   6.238  13.208  -8.505
  130    HB3  ARG  15           2HB      ARG  15   5.591  14.453  -9.587
  131    HG2  ARG  15           1HG      ARG  15   6.444  13.169 -11.552
  132    HG3  ARG  15           2HG      ARG  15   7.068  11.934 -10.481
  133    HD2  ARG  15           1HD      ARG  15   5.010  11.134 -11.330
  134    HD3  ARG  15           2HD      ARG  15   4.771  11.505  -9.628
  135    HE   ARG  15           HE       ARG  15   3.664  13.626 -10.326
  136   HH11  ARG  15          1HH1      ARG  15   3.748  11.071 -12.831
  137   HH12  ARG  15          2HH1      ARG  15   2.239  11.682 -13.506
  138   HH21  ARG  15          1HH2      ARG  15   1.773  14.284 -11.416
  139   HH22  ARG  15          2HH2      ARG  15   1.236  13.309 -12.781
  140    H    LYS  16           H        LYS  16   9.503  14.929  -7.610
  141    HA   LYS  16           HA       LYS  16   9.897  16.341  -5.898
  142    HB2  LYS  16           1HB      LYS  16   8.228  18.364  -7.449
  143    HB3  LYS  16           2HB      LYS  16   9.347  18.708  -6.132
  144    HG2  LYS  16           1HG      LYS  16  11.230  17.793  -7.480
  145    HG3  LYS  16           2HG      LYS  16  10.113  17.528  -8.834
  146    HD2  LYS  16           1HD      LYS  16   9.608  19.963  -8.900
  147    HD3  LYS  16           2HD      LYS  16  10.675  20.219  -7.517
  148    HE2  LYS  16           1HE      LYS  16  11.905  20.854  -9.455
  149    HE3  LYS  16           2HE      LYS  16  12.604  19.348  -8.858
  150    HZ1  LYS  16           3HZ      LYS  16  12.312  19.335 -11.271
  151    HZ2  LYS  16           1HZ      LYS  16  11.380  18.173 -10.608
  152    HZ3  LYS  16           2HZ      LYS  16  10.703  19.570 -11.134
  153    H    MET  17           H        MET  17   7.767  14.511  -5.555
  154    HA   MET  17           HA       MET  17   6.055  15.856  -3.487
  155    HB2  MET  17           1HB      MET  17   5.423  13.474  -5.281
  156    HB3  MET  17           2HB      MET  17   4.371  14.094  -4.009
  157    HG2  MET  17           1HG      MET  17   4.351  16.318  -5.218
  158    HG3  MET  17           2HG      MET  17   5.180  15.531  -6.556
  159    HE1  MET  17           3HE      MET  17   2.484  12.858  -7.696
  160    HE2  MET  17           1HE      MET  17   4.171  13.378  -7.813
  161    HE3  MET  17           2HE      MET  17   3.594  12.545  -6.354
  162    H    THR  18           H        THR  18   5.228  14.252  -1.878
  163    HA   THR  18           HA       THR  18   7.019  11.979  -1.210
  164    HB   THR  18           HB       THR  18   6.256  14.142   0.791
  165    HG1  THR  18           1HG      THR  18   8.459  14.639   0.714
  166   HG21  THR  18          3HG2      THR  18   7.875  12.957   2.263
  167   HG22  THR  18          1HG2      THR  18   6.515  11.915   1.840
  168   HG23  THR  18          2HG2      THR  18   8.080  11.699   1.024
  169    HA   PRO  19           HA       PRO  19   2.790  10.532  -0.392
  170    HB2  PRO  19           1HB      PRO  19   3.263   7.923   0.208
  171    HB3  PRO  19           2HB      PRO  19   3.457   8.569  -1.451
  172    HG2  PRO  19           1HG      PRO  19   5.616   8.097   0.627
  173    HG3  PRO  19           2HG      PRO  19   5.626   7.647  -1.107
  174    HD2  PRO  19           1HD      PRO  19   6.811   9.930  -0.101
  175    HD3  PRO  19           2HD      PRO  19   6.139   9.834  -1.752
  176    H    ALA  20           H        ALA  20   1.486  10.288   1.403
  177    HA   ALA  20           HA       ALA  20   2.791  10.315   4.104
  178    HB1  ALA  20           1HB      ALA  20   2.114  12.577   3.391
  179    HB2  ALA  20           2HB      ALA  20   0.462  11.996   3.075
  180    HB3  ALA  20           3HB      ALA  20   1.102  12.002   4.733
  181    H    TYR  21           H        TYR  21   2.000   8.944   5.558
  182    HA   TYR  21           HA       TYR  21  -0.267   7.179   4.757
  183    HB2  TYR  21           1HB      TYR  21   2.238   6.611   6.381
  184    HB3  TYR  21           2HB      TYR  21   0.948   5.460   6.097
  185    HD1  TYR  21           1HD      TYR  21   3.584   7.472   4.353
  186    HD2  TYR  21           2HD      TYR  21   0.911   4.095   4.155
  187    HE1  TYR  21           1HE      TYR  21   4.683   6.734   2.263
  188    HE2  TYR  21           2HE      TYR  21   2.042   3.321   2.077
  189    HH   TYR  21           HH       TYR  21   4.715   5.187   0.561
  190    H    GLU  22           H        GLU  22  -1.517   6.152   6.384
  191    HA   GLU  22           HA       GLU  22  -1.320   7.056   9.191
  192    HB2  GLU  22           1HB      GLU  22  -3.042   8.508   8.066
  193    HB3  GLU  22           2HB      GLU  22  -3.975   7.051   7.688
  194    HG2  GLU  22           1HG      GLU  22  -4.168   6.549  10.115
  195    HG3  GLU  22           2HG      GLU  22  -3.196   7.974  10.495
  196    H    ILE  23           H        ILE  23  -1.988   5.438  10.660
  197    HA   ILE  23           HA       ILE  23  -2.671   2.750   9.552
  198    HB   ILE  23           HB       ILE  23  -0.476   3.412  11.560
  199   HG12  ILE  23          1HG1      ILE  23  -0.382   2.297   8.722
  200   HG13  ILE  23          2HG1      ILE  23   0.218   3.868   9.259
  201   HG21  ILE  23          1HG2      ILE  23  -1.640   1.317  12.201
  202   HG22  ILE  23          2HG2      ILE  23  -1.389   0.676  10.558
  203   HG23  ILE  23          3HG2      ILE  23  -0.020   0.996  11.646
  204   HD11  ILE  23          3HD1      ILE  23   2.128   2.535   9.016
  205   HD12  ILE  23          1HD1      ILE  23   1.852   2.599  10.765
  206   HD13  ILE  23          2HD1      ILE  23   1.389   1.148   9.827
  207    H    ARG  24           H        ARG  24  -3.954   1.473  10.848
  208    HA   ARG  24           HA       ARG  24  -5.045   2.617  13.374
  209    HB2  ARG  24           1HB      ARG  24  -6.222   3.342  11.218
  210    HB3  ARG  24           2HB      ARG  24  -6.847   1.701  11.107
  211    HG2  ARG  24           1HG      ARG  24  -7.952   1.992  13.313
  212    HG3  ARG  24           2HG      ARG  24  -7.249   3.613  13.461
  213    HD2  ARG  24           1HD      ARG  24  -9.243   2.688  11.351
  214    HD3  ARG  24           2HD      ARG  24  -9.591   3.736  12.724
  215    HE   ARG  24           HE       ARG  24  -8.053   5.430  11.739
  216   HH11  ARG  24          1HH1      ARG  24  -9.472   3.087   9.429
  217   HH12  ARG  24          2HH1      ARG  24  -9.042   4.147   8.088
  218   HH21  ARG  24          1HH2      ARG  24  -7.529   6.611   9.825
  219   HH22  ARG  24          2HH2      ARG  24  -8.134   5.956   8.306
  220    H    ALA  25           H        ALA  25  -5.503   1.152  14.835
  221    HA   ALA  25           HA       ALA  25  -4.811  -1.665  14.313
  222    HB1  ALA  25           1HB      ALA  25  -3.910  -0.505  16.290
  223    HB2  ALA  25           2HB      ALA  25  -5.560  -0.254  16.908
  224    HB3  ALA  25           3HB      ALA  25  -4.906  -1.897  16.756
  225    H    VAL  26           H        VAL  26  -6.126  -3.392  14.313
  226    HA   VAL  26           HA       VAL  26  -8.994  -3.238  15.029
  227    HB   VAL  26           HB       VAL  26  -9.699  -4.210  12.874
  228   HG11  VAL  26          1HG1      VAL  26  -9.914  -1.765  13.284
  229   HG12  VAL  26          2HG1      VAL  26  -8.380  -1.510  12.415
  230   HG13  VAL  26          3HG1      VAL  26  -9.781  -2.201  11.577
  231   HG21  VAL  26          3HG2      VAL  26  -8.287  -4.103  10.875
  232   HG22  VAL  26          1HG2      VAL  26  -6.912  -3.521  11.835
  233   HG23  VAL  26          2HG2      VAL  26  -7.560  -5.157  12.087
  234    H    GLY  27           H        GLY  27  -9.991  -5.568  14.526
  235    HA2  GLY  27           1HA      GLY  27  -9.807  -7.920  14.671
  236    HA3  GLY  27           2HA      GLY  27  -8.064  -7.782  14.968
  237    H    ASN  28           H        ASN  28  -7.972  -9.072  16.754
  238    HA   ASN  28           HA       ASN  28  -9.657  -8.400  19.146
  239    HB2  ASN  28           1HB      ASN  28  -8.482 -11.048  18.222
  240    HB3  ASN  28           2HB      ASN  28  -9.368 -10.808  19.727
  241   HD21  ASN  28          2HD2      ASN  28  -9.999 -12.602  17.447
  242   HD22  ASN  28          1HD2      ASN  28 -11.612 -12.129  16.941
  243    H    LYS  29           H        LYS  29  -8.681  -8.937  21.257
  244    HA   LYS  29           HA       LYS  29  -6.145  -7.718  21.665
  245    HB2  LYS  29           1HB      LYS  29  -8.000  -7.837  23.309
  246    HB3  LYS  29           2HB      LYS  29  -7.797  -9.582  23.430
  247    HG2  LYS  29           1HG      LYS  29  -6.831  -8.545  25.352
  248    HG3  LYS  29           2HG      LYS  29  -5.528  -9.254  24.407
  249    HD2  LYS  29           1HD      LYS  29  -4.936  -7.016  23.509
  250    HD3  LYS  29           2HD      LYS  29  -6.308  -6.298  24.384
  251    HE2  LYS  29           1HE      LYS  29  -5.309  -7.053  26.539
  252    HE3  LYS  29           2HE      LYS  29  -3.944  -7.754  25.661
  253    HZ1  LYS  29           3HZ      LYS  29  -3.413  -5.549  26.513
  254    HZ2  LYS  29           1HZ      LYS  29  -3.385  -5.516  24.881
  255    HZ3  LYS  29           2HZ      LYS  29  -4.650  -4.869  25.693
  256    H    ASN  30           H        ASN  30  -6.993 -11.163  21.448
  257    HA   ASN  30           HA       ASN  30  -4.291 -12.113  21.972
  258    HB2  ASN  30           1HB      ASN  30  -5.190 -14.281  21.652
  259    HB3  ASN  30           2HB      ASN  30  -6.359 -13.353  22.588
  260   HD21  ASN  30          2HD2      ASN  30  -6.634 -15.819  20.783
  261   HD22  ASN  30          1HD2      ASN  30  -7.912 -15.363  19.670
  262    H    ARG  31           H        ARG  31  -6.060 -11.271  19.120
  263    HA   ARG  31           HA       ARG  31  -3.716 -11.782  17.367
  264    HB2  ARG  31           1HB      ARG  31  -5.198 -13.765  17.241
  265    HB3  ARG  31           2HB      ARG  31  -6.534 -12.734  16.718
  266    HG2  ARG  31           1HG      ARG  31  -5.227 -12.096  14.680
  267    HG3  ARG  31           2HG      ARG  31  -3.861 -13.053  15.266
  268    HD2  ARG  31           1HD      ARG  31  -5.017 -14.330  13.590
  269    HD3  ARG  31           2HD      ARG  31  -5.267 -15.103  15.164
  270    HE   ARG  31           HE       ARG  31  -7.396 -13.246  14.533
  271   HH11  ARG  31          1HH1      ARG  31  -6.313 -16.517  13.732
  272   HH12  ARG  31          2HH1      ARG  31  -7.917 -17.050  13.331
  273   HH21  ARG  31          1HH2      ARG  31  -9.446 -14.002  14.007
  274   HH22  ARG  31          2HH2      ARG  31  -9.661 -15.643  13.481
  275    H    GLN  32           H        GLN  32  -3.358  -9.599  17.407
  276    HA   GLN  32           HA       GLN  32  -5.443  -7.705  16.534
  277    HB2  GLN  32           1HB      GLN  32  -3.961  -7.307  18.513
  278    HB3  GLN  32           2HB      GLN  32  -2.572  -7.196  17.422
  279    HG2  GLN  32           1HG      GLN  32  -3.573  -5.243  16.308
  280    HG3  GLN  32           2HG      GLN  32  -5.042  -5.400  17.276
  281   HE21  GLN  32          2HE2      GLN  32  -2.438  -3.447  17.014
  282   HE22  GLN  32          1HE2      GLN  32  -2.228  -3.033  18.710
  283    H    LYS  33           H        LYS  33  -5.227  -6.305  14.804
  284    HA   LYS  33           HA       LYS  33  -3.277  -6.889  12.631
  285    HB2  LYS  33           1HB      LYS  33  -6.318  -6.979  12.534
  286    HB3  LYS  33           2HB      LYS  33  -5.344  -6.702  11.085
  287    HG2  LYS  33           1HG      LYS  33  -4.154  -8.848  11.477
  288    HG3  LYS  33           2HG      LYS  33  -5.180  -9.168  12.881
  289    HD2  LYS  33           1HD      LYS  33  -6.160  -8.834  10.012
  290    HD3  LYS  33           2HD      LYS  33  -5.901 -10.376  10.843
  291    HE2  LYS  33           1HE      LYS  33  -7.586  -9.716  12.572
  292    HE3  LYS  33           2HE      LYS  33  -7.893  -8.216  11.685
  293    HZ1  LYS  33           3HZ      LYS  33  -9.515  -9.926  11.119
  294    HZ2  LYS  33           1HZ      LYS  33  -8.635  -9.560   9.794
  295    HZ3  LYS  33           2HZ      LYS  33  -8.348 -10.948  10.611
  296    H    PHE  34           H        PHE  34  -3.366  -5.222  10.934
  297    HA   PHE  34           HA       PHE  34  -4.031  -2.504  11.979
  298    HB2  PHE  34           1HB      PHE  34  -1.404  -3.411  10.740
  299    HB3  PHE  34           2HB      PHE  34  -1.829  -1.754  11.139
  300    HD1  PHE  34           1HD      PHE  34  -2.288  -1.133  13.582
  301    HD2  PHE  34           2HD      PHE  34  -0.477  -4.867  12.406
  302    HE1  PHE  34           1HE      PHE  34  -1.397  -1.428  15.882
  303    HE2  PHE  34           2HE      PHE  34   0.416  -5.157  14.701
  304    HZ   PHE  34           HZ       PHE  34  -0.029  -3.437  16.440
  305    H    MET  35           H        MET  35  -5.112  -1.354  10.615
  306    HA   MET  35           HA       MET  35  -5.156  -1.893   7.687
  307    HB2  MET  35           1HB      MET  35  -6.727   0.178   9.273
  308    HB3  MET  35           2HB      MET  35  -6.947  -0.286   7.586
  309    HG2  MET  35           1HG      MET  35  -7.469  -2.658   8.485
  310    HG3  MET  35           2HG      MET  35  -7.528  -1.899  10.076
  311    HE1  MET  35           3HE      MET  35 -10.540  -1.339   6.623
  312    HE2  MET  35           1HE      MET  35  -8.850  -0.830   6.444
  313    HE3  MET  35           2HE      MET  35  -9.239  -2.545   6.705
  314    H    CYS  36           H        CYS  36  -4.640  -0.150   6.237
  315    HA   CYS  36           HA       CYS  36  -3.276   2.212   7.356
  316    HB2  CYS  36           1HB      CYS  36  -1.524   0.471   7.086
  317    HB3  CYS  36           2HB      CYS  36  -1.955   0.323   5.367
  318    HG   CYS  36           HG       CYS  36  -1.164   3.171   6.897
  319    H    GLU  37           H        GLU  37  -3.188   3.958   6.039
  320    HA   GLU  37           HA       GLU  37  -4.574   3.890   3.407
  321    HB2  GLU  37           1HB      GLU  37  -4.898   6.015   5.563
  322    HB3  GLU  37           2HB      GLU  37  -5.572   6.060   3.928
  323    HG2  GLU  37           1HG      GLU  37  -6.984   4.094   4.445
  324    HG3  GLU  37           2HG      GLU  37  -6.288   4.005   6.064
  325    H    VAL  38           H        VAL  38  -3.576   5.219   1.866
  326    HA   VAL  38           HA       VAL  38  -1.407   7.057   2.756
  327    HB   VAL  38           HB       VAL  38  -0.401   4.918   1.957
  328   HG11  VAL  38          1HG1      VAL  38  -2.028   4.396   0.141
  329   HG12  VAL  38          2HG1      VAL  38  -1.373   5.758  -0.796
  330   HG13  VAL  38          3HG1      VAL  38  -0.342   4.378  -0.400
  331   HG21  VAL  38          3HG2      VAL  38   1.304   5.960   0.516
  332   HG22  VAL  38          1HG2      VAL  38   0.265   7.353   0.229
  333   HG23  VAL  38          2HG2      VAL  38   0.889   7.034   1.863
  334    H    ARG  39           H        ARG  39  -1.137   8.892   1.652
  335    HA   ARG  39           HA       ARG  39  -2.945   9.597  -0.616
  336    HB2  ARG  39           1HB      ARG  39  -2.607  11.060   2.042
  337    HB3  ARG  39           2HB      ARG  39  -3.357  11.786   0.614
  338    HG2  ARG  39           1HG      ARG  39  -5.116  10.094   0.597
  339    HG3  ARG  39           2HG      ARG  39  -4.378   9.252   1.971
  340    HD2  ARG  39           1HD      ARG  39  -4.735  11.236   3.407
  341    HD3  ARG  39           2HD      ARG  39  -5.438  12.101   2.040
  342    HE   ARG  39           HE       ARG  39  -7.422  10.982   2.324
  343   HH11  ARG  39          1HH1      ARG  39  -5.033   9.167   4.271
  344   HH12  ARG  39          2HH1      ARG  39  -6.317   8.109   4.867
  345   HH21  ARG  39          1HH2      ARG  39  -8.914   9.512   3.254
  346   HH22  ARG  39          2HH2      ARG  39  -8.282   8.280   4.344
  347    H    VAL  40           H        VAL  40  -2.276  11.476  -1.762
  348    HA   VAL  40           HA       VAL  40   0.497  12.483  -1.412
  349    HB   VAL  40           HB       VAL  40  -0.554  11.417  -4.069
  350   HG11  VAL  40          1HG1      VAL  40   0.949  13.336  -4.387
  351   HG12  VAL  40          2HG1      VAL  40   2.161  12.595  -3.318
  352   HG13  VAL  40          3HG1      VAL  40   1.760  11.852  -4.882
  353   HG21  VAL  40          3HG2      VAL  40   1.283   9.731  -3.921
  354   HG22  VAL  40          1HG2      VAL  40   1.641  10.281  -2.276
  355   HG23  VAL  40          2HG2      VAL  40   0.086   9.504  -2.645
  356    H    GLU  41           H        GLU  41   0.640  14.633  -1.884
  357    HA   GLU  41           HA       GLU  41  -1.700  16.205  -1.954
  358    HB2  GLU  41           1HB      GLU  41   0.501  16.888  -1.038
  359    HB3  GLU  41           2HB      GLU  41   1.144  17.022  -2.681
  360    HG2  GLU  41           1HG      GLU  41  -0.500  18.802  -3.188
  361    HG3  GLU  41           2HG      GLU  41  -1.230  18.604  -1.592
  362    H    GLY  42           H        GLY  42  -2.961  16.999  -3.522
  363    HA2  GLY  42           1HA      GLY  42  -3.537  17.866  -5.634
  364    HA3  GLY  42           2HA      GLY  42  -2.075  17.155  -6.354
  365    H    PHE  43           H        PHE  43  -3.478  14.720  -4.547
  366    HA   PHE  43           HA       PHE  43  -5.231  13.768  -6.784
  367    HB2  PHE  43           1HB      PHE  43  -3.399  12.148  -4.979
  368    HB3  PHE  43           2HB      PHE  43  -4.493  11.495  -6.188
  369    HD1  PHE  43           1HD      PHE  43  -4.016  11.752  -8.619
  370    HD2  PHE  43           2HD      PHE  43  -1.319  13.299  -5.632
  371    HE1  PHE  43           1HE      PHE  43  -2.268  12.061 -10.351
  372    HE2  PHE  43           2HE      PHE  43   0.409  13.628  -7.367
  373    HZ   PHE  43           HZ       PHE  43  -0.052  13.001  -9.734
  374    H    ASN  44           H        ASN  44  -7.242  13.176  -6.272
  375    HA   ASN  44           HA       ASN  44  -8.201  13.734  -3.568
  376    HB2  ASN  44           1HB      ASN  44  -9.650  12.918  -6.115
  377    HB3  ASN  44           2HB      ASN  44 -10.439  13.419  -4.622
  378   HD21  ASN  44          2HD2      ASN  44  -9.976  14.618  -7.553
  379   HD22  ASN  44          1HD2      ASN  44  -9.661  16.301  -7.167
  380    H    TYR  45           H        TYR  45  -7.237  10.843  -5.159
  381    HA   TYR  45           HA       TYR  45  -8.966   9.025  -3.640
  382    HB2  TYR  45           1HB      TYR  45  -8.184   8.604  -5.969
  383    HB3  TYR  45           2HB      TYR  45  -6.532   8.475  -5.365
  384    HD1  TYR  45           2HD      TYR  45  -9.956   6.986  -5.101
  385    HD2  TYR  45           1HD      TYR  45  -5.724   6.363  -4.558
  386    HE1  TYR  45           2HE      TYR  45 -10.372   4.581  -4.616
  387    HE2  TYR  45           1HE      TYR  45  -6.136   3.957  -4.084
  388    HH   TYR  45           HH       TYR  45  -7.768   2.333  -3.636
  389    H    ALA  46           H        ALA  46  -8.202   7.436  -2.170
  390    HA   ALA  46           HA       ALA  46  -5.529   7.835  -0.931
  391    HB1  ALA  46           1HB      ALA  46  -7.224   8.889   0.544
  392    HB2  ALA  46           2HB      ALA  46  -8.136   7.369   0.588
  393    HB3  ALA  46           3HB      ALA  46  -6.505   7.445   1.291
  394    H    GLY  47           H        GLY  47  -4.408   6.008  -1.135
  395    HA2  GLY  47           1HA      GLY  47  -5.680   3.483  -1.965
  396    HA3  GLY  47           2HA      GLY  47  -3.939   3.767  -1.764
  397    H    MET  48           H        MET  48  -5.893   1.649  -0.745
  398    HA   MET  48           HA       MET  48  -5.268   1.888   2.175
  399    HB2  MET  48           1HB      MET  48  -7.917   0.993   0.979
  400    HB3  MET  48           2HB      MET  48  -7.494   1.089   2.695
  401    HG2  MET  48           1HG      MET  48  -7.024   3.581   2.291
  402    HG3  MET  48           2HG      MET  48  -7.810   3.373   0.730
  403    HE1  MET  48           3HE      MET  48 -10.400   5.447   2.737
  404    HE2  MET  48           1HE      MET  48  -8.631   5.542   2.850
  405    HE3  MET  48           2HE      MET  48  -9.411   5.327   1.265
  406    H    GLY  49           H        GLY  49  -4.879   0.130   3.339
  407    HA2  GLY  49           1HA      GLY  49  -4.897  -2.597   2.130
  408    HA3  GLY  49           2HA      GLY  49  -3.367  -1.912   2.683
  409    H    ASN  50           H        ASN  50  -4.143  -4.240   3.772
  410    HA   ASN  50           HA       ASN  50  -4.166  -3.555   6.578
  411    HB2  ASN  50           1HB      ASN  50  -6.519  -3.555   6.381
  412    HB3  ASN  50           2HB      ASN  50  -6.523  -4.969   5.318
  413   HD21  ASN  50          2HD2      ASN  50  -6.608  -7.027   6.225
  414   HD22  ASN  50          1HD2      ASN  50  -6.697  -7.289   7.959
  415    H    SER  51           H        SER  51  -3.487  -5.216   7.910
  416    HA   SER  51           HA       SER  51  -2.868  -7.899   7.017
  417    HB2  SER  51           1HB      SER  51  -1.144  -6.492   5.743
  418    HB3  SER  51           2HB      SER  51  -0.423  -6.120   7.311
  419    HG   SER  51           HG       SER  51   0.154  -8.122   5.865
  420    H    THR  52           H        THR  52  -1.075  -8.871   8.592
  421    HA   THR  52           HA       THR  52  -1.852  -8.381  11.400
  422    HB   THR  52           HB       THR  52  -0.225 -10.273  11.805
  423    HG1  THR  52           1HG      THR  52   0.414 -11.405   9.917
  424   HG21  THR  52          3HG2      THR  52  -1.675 -12.025  10.860
  425   HG22  THR  52          1HG2      THR  52  -2.634 -10.721  11.572
  426   HG23  THR  52          2HG2      THR  52  -2.464 -10.832   9.804
  427    H    ASN  53           H        ASN  53   0.412  -7.054   9.279
  428    HA   ASN  53           HA       ASN  53   2.042  -5.970  11.527
  429    HB2  ASN  53           1HB      ASN  53   3.084  -7.137   8.914
  430    HB3  ASN  53           2HB      ASN  53   4.050  -6.190  10.036
  431   HD21  ASN  53          2HD2      ASN  53   2.535  -9.342   9.517
  432   HD22  ASN  53          1HD2      ASN  53   3.340 -10.121  10.865
  433    H    LYS  54           H        LYS  54   2.708  -3.902  11.302
  434    HA   LYS  54           HA       LYS  54   1.115  -2.109   9.786
  435    HB2  LYS  54           1HB      LYS  54   3.766  -1.740  11.257
  436    HB3  LYS  54           2HB      LYS  54   2.814  -0.411  10.600
  437    HG2  LYS  54           1HG      LYS  54   0.865  -1.140  12.010
  438    HG3  LYS  54           2HG      LYS  54   1.896  -2.379  12.744
  439    HD2  LYS  54           1HD      LYS  54   3.448  -0.632  13.556
  440    HD3  LYS  54           2HD      LYS  54   2.436   0.625  12.808
  441    HE2  LYS  54           1HE      LYS  54   0.523  -0.058  14.226
  442    HE3  LYS  54           2HE      LYS  54   1.502  -1.338  14.953
  443    HZ1  LYS  54           3HZ      LYS  54   1.450   0.638  16.357
  444    HZ2  LYS  54           1HZ      LYS  54   2.977   0.382  15.841
  445    HZ3  LYS  54           2HZ      LYS  54   2.074   1.570  15.170
  446    H    LYS  55           H        LYS  55   4.464  -3.197   9.112
  447    HA   LYS  55           HA       LYS  55   4.869  -1.476   6.843
  448    HB2  LYS  55           1HB      LYS  55   6.175  -4.086   7.720
  449    HB3  LYS  55           2HB      LYS  55   6.697  -3.145   6.319
  450    HG2  LYS  55           1HG      LYS  55   7.137  -1.181   7.749
  451    HG3  LYS  55           2HG      LYS  55   6.573  -2.073   9.176
  452    HD2  LYS  55           1HD      LYS  55   8.411  -3.716   8.891
  453    HD3  LYS  55           2HD      LYS  55   8.932  -2.882   7.423
  454    HE2  LYS  55           1HE      LYS  55  10.397  -2.208   9.203
  455    HE3  LYS  55           2HE      LYS  55   9.400  -0.824   8.747
  456    HZ1  LYS  55           3HZ      LYS  55   9.573  -1.085  11.164
  457    HZ2  LYS  55           1HZ      LYS  55   8.018  -1.267  10.706
  458    HZ3  LYS  55           2HZ      LYS  55   8.918  -2.579  11.102
  459    H    ASP  56           H        ASP  56   3.555  -4.801   7.021
  460    HA   ASP  56           HA       ASP  56   3.341  -5.043   4.128
  461    HB2  ASP  56           1HB      ASP  56   3.597  -6.945   5.736
  462    HB3  ASP  56           2HB      ASP  56   1.960  -6.644   6.301
  463    H    ALA  57           H        ALA  57   1.210  -3.866   6.707
  464    HA   ALA  57           HA       ALA  57  -1.151  -3.545   5.051
  465    HB1  ALA  57           1HB      ALA  57  -1.172  -3.571   7.546
  466    HB2  ALA  57           2HB      ALA  57  -0.320  -2.014   7.563
  467    HB3  ALA  57           3HB      ALA  57  -1.949  -2.126   6.873
  468    H    GLN  58           H        GLN  58   1.528  -1.314   5.916
  469    HA   GLN  58           HA       GLN  58   0.779   0.883   4.237
  470    HB2  GLN  58           1HB      GLN  58   3.474  -0.154   5.207
  471    HB3  GLN  58           2HB      GLN  58   3.296   1.305   4.244
  472    HG2  GLN  58           1HG      GLN  58   1.982   2.397   5.938
  473    HG3  GLN  58           2HG      GLN  58   1.961   0.953   6.950
  474   HE21  GLN  58          2HE2      GLN  58   3.380   3.920   6.831
  475   HE22  GLN  58          1HE2      GLN  58   4.937   3.506   7.526
  476    H    SER  59           H        SER  59   2.703  -2.066   3.460
  477    HA   SER  59           HA       SER  59   3.307  -1.253   0.772
  478    HB2  SER  59           1HB      SER  59   3.083  -4.045   1.953
  479    HB3  SER  59           2HB      SER  59   3.804  -3.634   0.389
  480    HG   SER  59           HG       SER  59   4.699  -2.834   2.983
  481    H    ASN  60           H        ASN  60   0.464  -2.933   2.111
  482    HA   ASN  60           HA       ASN  60  -0.746  -3.388  -0.511
  483    HB2  ASN  60           1HB      ASN  60  -1.723  -3.579   2.349
  484    HB3  ASN  60           2HB      ASN  60  -2.853  -3.640   0.995
  485   HD21  ASN  60          2HD2      ASN  60  -0.349  -5.437   2.694
  486   HD22  ASN  60          1HD2      ASN  60  -0.598  -6.921   1.793
  487    H    ALA  61           H        ALA  61  -0.998  -0.783   1.960
  488    HA   ALA  61           HA       ALA  61  -2.975   0.773   0.574
  489    HB1  ALA  61           1HB      ALA  61  -2.314   1.085   2.964
  490    HB2  ALA  61           2HB      ALA  61  -0.731   1.699   2.429
  491    HB3  ALA  61           3HB      ALA  61  -2.210   2.591   2.032
  492    H    ALA  62           H        ALA  62   0.611   0.896   0.440
  493    HA   ALA  62           HA       ALA  62   0.846   2.890  -1.570
  494    HB1  ALA  62           1HB      ALA  62   2.693   2.100  -0.135
  495    HB2  ALA  62           2HB      ALA  62   2.640   0.508  -0.923
  496    HB3  ALA  62           3HB      ALA  62   3.116   1.945  -1.854
  497    H    ARG  63           H        ARG  63   0.702  -0.717  -1.954
  498    HA   ARG  63           HA       ARG  63   0.806  -0.695  -4.755
  499    HB2  ARG  63           1HB      ARG  63   1.038  -2.748  -3.330
  500    HB3  ARG  63           2HB      ARG  63  -0.677  -2.661  -2.954
  501    HG2  ARG  63           1HG      ARG  63  -0.301  -4.332  -4.665
  502    HG3  ARG  63           2HG      ARG  63  -1.252  -3.014  -5.318
  503    HD2  ARG  63           1HD      ARG  63   1.209  -2.167  -6.114
  504    HD3  ARG  63           2HD      ARG  63   1.549  -3.888  -5.981
  505    HE   ARG  63           HE       ARG  63  -0.682  -2.679  -7.605
  506   HH11  ARG  63          1HH1      ARG  63   2.026  -4.985  -7.584
  507   HH12  ARG  63          2HH1      ARG  63   1.551  -5.633  -9.123
  508   HH21  ARG  63          1HH2      ARG  63  -1.153  -3.478  -9.525
  509   HH22  ARG  63          2HH2      ARG  63  -0.224  -4.775 -10.242
  510    H    ASP  64           H        ASP  64  -2.087  -0.314  -2.666
  511    HA   ASP  64           HA       ASP  64  -3.912  -0.284  -4.906
  512    HB2  ASP  64           1HB      ASP  64  -4.580  -0.921  -2.643
  513    HB3  ASP  64           2HB      ASP  64  -4.265   0.724  -2.076
  514    H    PHE  65           H        PHE  65  -2.074   2.330  -3.284
  515    HA   PHE  65           HA       PHE  65  -3.414   4.410  -4.827
  516    HB2  PHE  65           1HB      PHE  65  -2.232   4.793  -2.655
  517    HB3  PHE  65           2HB      PHE  65  -0.698   4.585  -3.491
  518    HD1  PHE  65           1HD      PHE  65  -3.728   6.706  -3.134
  519    HD2  PHE  65           2HD      PHE  65   0.094   6.316  -5.081
  520    HE1  PHE  65           1HE      PHE  65  -3.896   9.049  -3.929
  521    HE2  PHE  65           2HE      PHE  65  -0.067   8.676  -5.849
  522    HZ   PHE  65           HZ       PHE  65  -2.070  10.028  -5.303
  523    H    VAL  66           H        VAL  66  -0.376   2.538  -5.262
  524    HA   VAL  66           HA       VAL  66   0.369   3.769  -7.751
  525    HB   VAL  66           HB       VAL  66   0.927   0.978  -6.686
  526   HG11  VAL  66          1HG1      VAL  66   1.180   0.797  -9.091
  527   HG12  VAL  66          2HG1      VAL  66   2.014   2.366  -9.176
  528   HG13  VAL  66          3HG1      VAL  66   2.798   0.976  -8.399
  529   HG21  VAL  66          3HG2      VAL  66   3.124   1.903  -6.177
  530   HG22  VAL  66          1HG2      VAL  66   2.696   3.449  -6.947
  531   HG23  VAL  66          2HG2      VAL  66   1.891   2.940  -5.453
  532    H    ASN  67           H        ASN  67  -1.720   0.955  -7.065
  533    HA   ASN  67           HA       ASN  67  -2.548   0.409  -9.736
  534    HB2  ASN  67           1HB      ASN  67  -4.083   0.148  -7.127
  535    HB3  ASN  67           2HB      ASN  67  -4.708  -0.385  -8.679
  536   HD21  ASN  67          2HD2      ASN  67  -4.407  -2.156  -6.517
  537   HD22  ASN  67          1HD2      ASN  67  -3.202  -3.336  -6.986
  538    H    TYR  68           H        TYR  68  -4.122   2.735  -7.389
  539    HA   TYR  68           HA       TYR  68  -5.936   3.890  -9.209
  540    HB2  TYR  68           1HB      TYR  68  -6.205   4.505  -7.008
  541    HB3  TYR  68           2HB      TYR  68  -4.520   4.876  -6.756
  542    HD1  TYR  68           2HD      TYR  68  -7.593   6.117  -8.506
  543    HD2  TYR  68           1HD      TYR  68  -3.671   7.074  -6.983
  544    HE1  TYR  68           2HE      TYR  68  -8.033   8.532  -8.896
  545    HE2  TYR  68           1HE      TYR  68  -4.103   9.484  -7.377
  546    HH   TYR  68           HH       TYR  68  -7.239  10.676  -8.676
  547    H    LEU  69           H        LEU  69  -2.478   4.808  -8.799
  548    HA   LEU  69           HA       LEU  69  -2.541   6.851 -10.806
  549    HB2  LEU  69           1HB      LEU  69  -0.221   5.125  -9.899
  550    HB3  LEU  69           2HB      LEU  69  -0.110   6.574 -10.895
  551    HG   LEU  69           HG       LEU  69  -1.208   6.613  -8.062
  552   HD11  LEU  69          1HD1      LEU  69   1.122   5.875  -8.043
  553   HD12  LEU  69          2HD1      LEU  69   1.579   7.202  -9.122
  554   HD13  LEU  69          3HD1      LEU  69   1.027   7.545  -7.472
  555   HD21  LEU  69          3HD2      LEU  69  -0.768   9.053  -8.250
  556   HD22  LEU  69          1HD2      LEU  69  -0.367   8.832  -9.966
  557   HD23  LEU  69          2HD2      LEU  69  -2.010   8.497  -9.372
  558    H    VAL  70           H        VAL  70  -2.461   3.366 -11.245
  559    HA   VAL  70           HA       VAL  70  -1.957   3.607 -14.141
  560    HB   VAL  70           HB       VAL  70  -2.995   1.212 -12.582
  561   HG11  VAL  70          1HG1      VAL  70  -3.595   1.034 -14.963
  562   HG12  VAL  70          2HG1      VAL  70  -1.912   1.385 -15.426
  563   HG13  VAL  70          3HG1      VAL  70  -2.325  -0.109 -14.554
  564   HG21  VAL  70          3HG2      VAL  70  -0.730   0.302 -12.771
  565   HG22  VAL  70          1HG2      VAL  70  -0.174   1.774 -13.594
  566   HG23  VAL  70          2HG2      VAL  70  -0.689   1.834 -11.901
  567    H    ARG  71           H        ARG  71  -4.803   3.237 -11.987
  568    HA   ARG  71           HA       ARG  71  -6.811   3.058 -13.994
  569    HB2  ARG  71           1HB      ARG  71  -7.066   4.403 -11.277
  570    HB3  ARG  71           2HB      ARG  71  -8.391   3.890 -12.305
  571    HG2  ARG  71           1HG      ARG  71  -7.801   1.531 -12.021
  572    HG3  ARG  71           2HG      ARG  71  -6.358   1.971 -11.115
  573    HD2  ARG  71           1HD      ARG  71  -8.013   3.215  -9.509
  574    HD3  ARG  71           2HD      ARG  71  -9.246   2.200 -10.257
  575    HE   ARG  71           HE       ARG  71  -7.614   0.265  -9.610
  576   HH11  ARG  71          1HH1      ARG  71  -8.264   3.061  -7.514
  577   HH12  ARG  71          2HH1      ARG  71  -7.766   2.193  -6.091
  578   HH21  ARG  71          1HH2      ARG  71  -7.077  -0.775  -7.675
  579   HH22  ARG  71          2HH2      ARG  71  -7.048   0.126  -6.178
  580    H    ILE  72           H        ILE  72  -5.112   5.909 -12.752
  581    HA   ILE  72           HA       ILE  72  -6.578   7.654 -14.697
  582    HB   ILE  72           HB       ILE  72  -5.790   9.549 -13.500
  583   HG12  ILE  72          1HG1      ILE  72  -4.449   7.825 -11.402
  584   HG13  ILE  72          2HG1      ILE  72  -3.540   8.458 -12.771
  585   HG21  ILE  72          1HG2      ILE  72  -7.840   8.356 -12.736
  586   HG22  ILE  72          2HG2      ILE  72  -6.873   7.507 -11.512
  587   HG23  ILE  72          3HG2      ILE  72  -7.055   9.271 -11.444
  588   HD11  ILE  72          3HD1      ILE  72  -3.285   9.910 -10.843
  589   HD12  ILE  72          1HD1      ILE  72  -4.162  10.767 -12.126
  590   HD13  ILE  72          2HD1      ILE  72  -5.037  10.129 -10.717
  591    H    ASN  73           H        ASN  73  -3.997   5.780 -15.036
  592    HA   ASN  73           HA       ASN  73  -2.385   5.605 -16.551
  593    HB2  ASN  73           1HB      ASN  73  -3.568   8.050 -17.916
  594    HB3  ASN  73           2HB      ASN  73  -2.551   6.816 -18.640
  595   HD21  ASN  73          2HD2      ASN  73  -5.779   7.734 -18.143
  596   HD22  ASN  73          1HD2      ASN  73  -6.517   6.193 -18.547
  597    H    GLU  74           H        GLU  74  -1.923   7.541 -14.220
  598    HA   GLU  74           HA       GLU  74   0.351   9.177 -15.183
  599    HB2  GLU  74           1HB      GLU  74  -0.913   8.773 -12.448
  600    HB3  GLU  74           2HB      GLU  74   0.521   9.758 -12.725
  601    HG2  GLU  74           1HG      GLU  74  -2.200  10.257 -13.990
  602    HG3  GLU  74           2HG      GLU  74  -1.523  11.119 -12.611
  603    H    VAL  75           H        VAL  75  -0.110   5.967 -14.149
  604    HA   VAL  75           HA       VAL  75   2.840   5.521 -14.254
  605    HB   VAL  75           HB       VAL  75   0.909   4.175 -12.295
  606   HG11  VAL  75          1HG1      VAL  75   2.533   2.498 -13.138
  607   HG12  VAL  75          2HG1      VAL  75   3.875   3.641 -12.814
  608   HG13  VAL  75          3HG1      VAL  75   2.928   2.947 -11.484
  609   HG21  VAL  75          3HG2      VAL  75   2.299   5.063 -10.527
  610   HG22  VAL  75          1HG2      VAL  75   3.493   5.648 -11.698
  611   HG23  VAL  75          2HG2      VAL  75   1.917   6.437 -11.579
  612    H    LYS  76           H        LYS  76   3.398   3.752 -15.522
  613    HA   LYS  76           HA       LYS  76   1.227   2.305 -16.971
  614    HB2  LYS  76           1HB      LYS  76   4.252   2.273 -17.350
  615    HB3  LYS  76           2HB      LYS  76   3.076   1.395 -18.330
  616    HG2  LYS  76           1HG      LYS  76   2.025   3.551 -19.015
  617    HG3  LYS  76           2HG      LYS  76   3.254   4.435 -18.089
  618    HD2  LYS  76           1HD      LYS  76   5.040   3.428 -19.487
  619    HD3  LYS  76           2HD      LYS  76   3.811   2.547 -20.421
  620    HE2  LYS  76           1HE      LYS  76   2.772   4.711 -21.083
  621    HE3  LYS  76           2HE      LYS  76   4.001   5.586 -20.160
  622    HZ1  LYS  76           3HZ      LYS  76   4.575   5.468 -22.511
  623    HZ2  LYS  76           1HZ      LYS  76   5.688   4.645 -21.642
  624    HZ3  LYS  76           2HZ      LYS  76   4.549   3.836 -22.496
  625    H    SER  77           H        SER  77   0.661   0.229 -16.442
  626    HA   SER  77           HA       SER  77   1.374  -0.944 -13.980
  627    HB2  SER  77           1HB      SER  77   0.290  -2.996 -14.924
  628    HB3  SER  77           2HB      SER  77  -0.675  -1.519 -15.030
  629    HG   SER  77           HG       SER  77  -0.683  -2.730 -17.015
  630    H    GLU  78           H        GLU  78   2.869  -1.449 -17.157
  631    HA   GLU  78           HA       GLU  78   4.391  -3.755 -16.618
  632    HB2  GLU  78           1HB      GLU  78   5.080  -1.394 -18.417
  633    HB3  GLU  78           2HB      GLU  78   5.844  -2.989 -18.471
  634    HG2  GLU  78           1HG      GLU  78   3.609  -4.010 -18.975
  635    HG3  GLU  78           2HG      GLU  78   2.912  -2.390 -19.057
  636    H    GLU  79           H        GLU  79   4.917  -0.538 -15.363
  637    HA   GLU  79           HA       GLU  79   7.727  -1.051 -14.594
  638    HB2  GLU  79           1HB      GLU  79   5.837   1.272 -14.040
  639    HB3  GLU  79           2HB      GLU  79   7.530   1.212 -13.601
  640    HG2  GLU  79           1HG      GLU  79   6.432   1.166 -16.447
  641    HG3  GLU  79           2HG      GLU  79   7.141   2.553 -15.632
  642    H    VAL  80           H        VAL  80   4.631  -1.684 -13.244
  643    HA   VAL  80           HA       VAL  80   5.250  -0.942 -10.503
  644    HB   VAL  80           HB       VAL  80   2.857  -2.466 -11.591
  645   HG11  VAL  80          1HG1      VAL  80   3.076  -2.904  -9.201
  646   HG12  VAL  80          2HG1      VAL  80   3.347  -1.185  -8.870
  647   HG13  VAL  80          3HG1      VAL  80   1.766  -1.746  -9.454
  648   HG21  VAL  80          3HG2      VAL  80   1.686  -0.295 -11.375
  649   HG22  VAL  80          1HG2      VAL  80   3.210   0.482 -10.884
  650   HG23  VAL  80          2HG2      VAL  80   3.021  -0.173 -12.520
  651    HA   PRO  81           HA       PRO  81   7.084  -4.973  -9.640
  652    HB2  PRO  81           1HB      PRO  81   7.821  -4.638  -7.039
  653    HB3  PRO  81           2HB      PRO  81   8.625  -3.778  -8.389
  654    HG2  PRO  81           1HG      PRO  81   6.408  -2.754  -6.588
  655    HG3  PRO  81           2HG      PRO  81   7.956  -1.950  -7.011
  656    HD2  PRO  81           1HD      PRO  81   5.633  -1.389  -8.328
  657    HD3  PRO  81           2HD      PRO  81   7.203  -1.425  -9.179
  658    H    ALA  82           H        ALA  82   6.697  -6.877  -8.468
  659    HA   ALA  82           HA       ALA  82   4.477  -7.136  -6.591
  660    HB1  ALA  82           1HB      ALA  82   3.344  -7.185  -8.818
  661    HB2  ALA  82           2HB      ALA  82   4.406  -8.511  -9.325
  662    HB3  ALA  82           3HB      ALA  82   3.240  -8.757  -8.007
  663    H    VAL  83           H        VAL  83   4.349  -9.388  -5.721
  664    HA   VAL  83           HA       VAL  83   6.805 -10.429  -5.003
  665    HB   VAL  83           HB       VAL  83   4.390 -10.580  -4.013
  666   HG11  VAL  83          1HG1      VAL  83   3.394 -11.980  -5.814
  667   HG12  VAL  83          2HG1      VAL  83   4.449 -13.327  -5.321
  668   HG13  VAL  83          3HG1      VAL  83   3.241 -12.686  -4.195
  669   HG21  VAL  83          3HG2      VAL  83   5.094 -12.327  -2.502
  670   HG22  VAL  83          1HG2      VAL  83   6.387 -12.816  -3.627
  671   HG23  VAL  83          2HG2      VAL  83   6.406 -11.196  -2.880
  672    H    GLY  84           H        GLY  84   5.116 -11.105  -7.927
  673    HA2  GLY  84           1HA      GLY  84   7.279 -12.737  -8.950
  674    HA3  GLY  84           2HA      GLY  84   5.788 -13.653  -8.775
  675    H    ILE  85           H        ILE  85   7.094 -13.052 -11.265
  676    HA   ILE  85           HA       ILE  85   5.548 -10.919 -12.593
  677    HB   ILE  85           HB       ILE  85   7.513 -12.905 -13.771
  678   HG12  ILE  85          1HG1      ILE  85   8.994 -10.871 -14.011
  679   HG13  ILE  85          2HG1      ILE  85   7.918  -9.987 -12.937
  680   HG21  ILE  85          1HG2      ILE  85   5.922 -12.009 -15.450
  681   HG22  ILE  85          2HG2      ILE  85   6.280 -10.353 -14.917
  682   HG23  ILE  85          3HG2      ILE  85   7.528 -11.341 -15.705
  683   HD11  ILE  85          3HD1      ILE  85  10.069 -10.900 -11.946
  684   HD12  ILE  85          1HD1      ILE  85   8.618 -11.342 -11.052
  685   HD13  ILE  85          2HD1      ILE  85   9.400 -12.531 -12.133
  686    H    VAL  86           H        VAL  86   3.469 -11.499 -12.498
  687    HA   VAL  86           HA       VAL  86   2.428 -13.396 -14.420
  688    HB   VAL  86           HB       VAL  86   2.912 -14.915 -12.526
  689   HG11  VAL  86          1HG1      VAL  86   2.576 -13.343 -10.623
  690   HG12  VAL  86          2HG1      VAL  86   0.822 -13.405 -10.913
  691   HG13  VAL  86          3HG1      VAL  86   1.700 -14.868 -10.443
  692   HG21  VAL  86          3HG2      VAL  86   0.788 -16.060 -12.453
  693   HG22  VAL  86          1HG2      VAL  86  -0.071 -14.609 -12.992
  694   HG23  VAL  86          2HG2      VAL  86   1.076 -15.425 -14.080
  695    HA   PRO  87           HA       PRO  87  -0.718 -10.188 -14.321
  696    HB2  PRO  87           1HB      PRO  87  -2.542 -12.365 -15.356
  697    HB3  PRO  87           2HB      PRO  87  -2.339 -10.689 -15.953
  698    HG2  PRO  87           1HG      PRO  87  -1.165 -12.739 -17.265
  699    HG3  PRO  87           2HG      PRO  87  -0.239 -11.229 -16.969
  700    HD2  PRO  87           1HD      PRO  87  -0.150 -13.826 -15.409
  701    HD3  PRO  87           2HD      PRO  87   1.202 -12.811 -16.002
  702    HA   PRO  88           HA       PRO  88  -3.012 -11.058 -10.573
  703    HB2  PRO  88           1HB      PRO  88  -4.923  -9.097 -10.560
  704    HB3  PRO  88           2HB      PRO  88  -3.181  -8.764 -10.316
  705    HG2  PRO  88           1HG      PRO  88  -4.775  -8.547 -12.892
  706    HG3  PRO  88           2HG      PRO  88  -3.659  -7.339 -12.178
  707    HD2  PRO  88           1HD      PRO  88  -2.861  -9.072 -14.128
  708    HD3  PRO  88           2HD      PRO  88  -1.757  -8.587 -12.806
  709    HA   PRO  89           HA       PRO  89  -6.391 -13.639 -11.866
  710    HB2  PRO  89           1HB      PRO  89  -7.707 -14.151  -9.527
  711    HB3  PRO  89           2HB      PRO  89  -6.054 -14.754  -9.863
  712    HG2  PRO  89           1HG      PRO  89  -6.847 -12.274  -8.298
  713    HG3  PRO  89           2HG      PRO  89  -5.694 -13.562  -7.821
  714    HD2  PRO  89           1HD      PRO  89  -4.862 -11.222  -8.953
  715    HD3  PRO  89           2HD      PRO  89  -4.050 -12.775  -9.318
  716    H    SER  90           H        SER  90  -8.479 -13.505 -12.618
  717    HA   SER  90           HA       SER  90  -9.782 -10.920 -12.592
  718    HB2  SER  90           1HB      SER  90 -10.712 -13.552 -13.791
  719    HB3  SER  90           2HB      SER  90 -11.307 -11.934 -14.194
  720    HG   SER  90           HG       SER  90  -9.750 -12.693 -15.719
  721    H    GLY  91           H        GLY  91 -10.016 -13.340 -10.301
  722    HA2  GLY  91           1HA      GLY  91 -12.899 -13.404  -9.886
  723    HA3  GLY  91           2HA      GLY  91 -11.664 -14.104  -8.826
  724    HA   PRO  92           HA       PRO  92 -13.346  -9.988  -7.079
  725    HB2  PRO  92           1HB      PRO  92 -15.471 -10.716  -5.545
  726    HB3  PRO  92           2HB      PRO  92 -15.628 -10.443  -7.307
  727    HG2  PRO  92           1HG      PRO  92 -15.243 -13.093  -5.867
  728    HG3  PRO  92           2HG      PRO  92 -16.482 -12.675  -7.096
  729    HD2  PRO  92           1HD      PRO  92 -14.150 -13.942  -7.754
  730    HD3  PRO  92           2HD      PRO  92 -14.903 -12.739  -8.844
  731    H    SER  93           H        SER  93 -13.097  -9.292  -4.838
  732    HA   SER  93           HA       SER  93 -11.129 -10.672  -3.341
  733    HB2  SER  93           1HB      SER  93 -13.036  -8.514  -2.373
  734    HB3  SER  93           2HB      SER  93 -11.464  -8.935  -1.675
  735    HG   SER  93           HG       SER  93 -11.337  -7.089  -3.059
  736    H    SER  94           H        SER  94 -14.500 -11.289  -3.370
  737    HA   SER  94           HA       SER  94 -14.747 -12.366  -0.663
  738    HB2  SER  94           1HB      SER  94 -16.559 -12.712  -3.080
  739    HB3  SER  94           2HB      SER  94 -16.970 -13.039  -1.388
  740    HG   SER  94           HG       SER  94 -17.748 -10.982  -2.076
  741    H    GLY  95           H        GLY  95 -13.248 -13.634  -3.447
  742    HA2  GLY  95           1HA      GLY  95 -12.727 -16.203  -2.314
  743    HA3  GLY  95           2HA      GLY  95 -14.037 -16.368  -3.480
  Start of MODEL   14
    1    H1   GLY  -3           1H       GLY  -3  17.615  -2.361   9.990
    2    H2   GLY  -3           2H       GLY  -3  17.663  -2.790   8.413
    3    H3   GLY  -3           3H       GLY  -3  17.799  -1.212   8.836
    4    HA2  GLY  -3           1HA      GLY  -3  15.547  -1.169   9.676
    5    HA3  GLY  -3           2HA      GLY  -3  15.600  -1.629   7.964
    6    H    SER  -2           H        SER  -2  13.343  -2.331   9.106
    7    HA   SER  -2           HA       SER  -2  13.362  -4.818  10.559
    8    HB2  SER  -2           1HB      SER  -2  11.056  -3.574   9.036
    9    HB3  SER  -2           2HB      SER  -2  10.964  -4.677  10.413
   10    HG   SER  -2           HG       SER  -2  11.931  -3.002  11.707
   11    H    SER  -1           H        SER  -1  13.732  -4.304   7.195
   12    HA   SER  -1           HA       SER  -1  13.160  -7.148   6.531
   13    HB2  SER  -1           1HB      SER  -1  12.025  -4.751   5.029
   14    HB3  SER  -1           2HB      SER  -1  11.955  -6.432   4.486
   15    HG   SER  -1           HG       SER  -1  10.008  -5.785   5.516
   16    H    GLY   0           H        GLY   0  14.243  -7.886   4.624
   17    HA2  GLY   0           1HA      GLY   0  16.843  -6.662   4.194
   18    HA3  GLY   0           2HA      GLY   0  16.215  -8.152   3.454
   19    H    SER   1           H        SER   1  13.899  -6.023   2.676
   20    HA   SER   1           HA       SER   1  15.039  -4.370   0.623
   21    HB2  SER   1           1HB      SER   1  15.246  -6.688  -0.418
   22    HB3  SER   1           2HB      SER   1  13.478  -6.774  -0.393
   23    HG   SER   1           HG       SER   1  14.374  -5.983  -2.405
   24    H    SER   2           H        SER   2  13.085  -3.655  -0.892
   25    HA   SER   2           HA       SER   2  10.422  -3.711   0.239
   26    HB2  SER   2           1HB      SER   2  11.450  -2.054   1.761
   27    HB3  SER   2           2HB      SER   2  11.907  -1.061   0.366
   28    HG   SER   2           HG       SER   2   9.869  -0.489   1.441
   29    H    GLY   3           H        GLY   3   9.029  -3.542  -1.410
   30    HA2  GLY   3           1HA      GLY   3  10.094  -2.862  -4.122
   31    HA3  GLY   3           2HA      GLY   3   8.781  -3.985  -3.734
   32    H    ILE   4           H        ILE   4   6.738  -3.101  -2.994
   33    HA   ILE   4           HA       ILE   4   6.018  -0.994  -4.834
   34    HB   ILE   4           HB       ILE   4   4.688  -3.024  -4.496
   35   HG12  ILE   4          1HG1      ILE   4   2.466  -2.045  -4.487
   36   HG13  ILE   4          2HG1      ILE   4   3.081  -0.510  -3.871
   37   HG21  ILE   4          1HG2      ILE   4   4.889  -3.258  -2.026
   38   HG22  ILE   4          2HG2      ILE   4   3.841  -1.837  -1.821
   39   HG23  ILE   4          3HG2      ILE   4   3.211  -3.312  -2.574
   40   HD11  ILE   4          3HD1      ILE   4   2.623  -0.574  -6.346
   41   HD12  ILE   4          1HD1      ILE   4   4.293  -0.127  -5.964
   42   HD13  ILE   4          2HD1      ILE   4   3.915  -1.777  -6.520
   43    H    LYS   5           H        LYS   5   6.215  -1.031  -1.297
   44    HA   LYS   5           HA       LYS   5   5.107   1.605  -0.888
   45    HB2  LYS   5           1HB      LYS   5   5.580  -0.449   0.696
   46    HB3  LYS   5           2HB      LYS   5   7.160   0.260   0.917
   47    HG2  LYS   5           1HG      LYS   5   4.488   1.656   1.442
   48    HG3  LYS   5           2HG      LYS   5   5.388   0.769   2.657
   49    HD2  LYS   5           1HD      LYS   5   6.373   3.297   1.273
   50    HD3  LYS   5           2HD      LYS   5   5.669   3.185   2.886
   51    HE2  LYS   5           1HE      LYS   5   7.518   1.630   3.564
   52    HE3  LYS   5           2HE      LYS   5   8.266   1.861   1.978
   53    HZ1  LYS   5           3HZ      LYS   5   9.222   3.349   3.633
   54    HZ2  LYS   5           1HZ      LYS   5   8.456   4.239   2.496
   55    HZ3  LYS   5           2HZ      LYS   5   7.768   4.013   3.964
   56    H    ASN   6           H        ASN   6   8.385   0.390  -1.409
   57    HA   ASN   6           HA       ASN   6   9.810   2.880  -1.389
   58    HB2  ASN   6           1HB      ASN   6  10.706   0.512  -1.177
   59    HB3  ASN   6           2HB      ASN   6  10.369   0.295  -2.887
   60   HD21  ASN   6          2HD2      ASN   6  12.674  -0.316  -2.824
   61   HD22  ASN   6          1HD2      ASN   6  13.860   0.971  -3.051
   62    H    PHE   7           H        PHE   7   8.071   1.098  -3.986
   63    HA   PHE   7           HA       PHE   7   9.013   2.728  -6.151
   64    HB2  PHE   7           1HB      PHE   7   8.194   0.481  -6.497
   65    HB3  PHE   7           2HB      PHE   7   6.600   0.911  -5.888
   66    HD1  PHE   7           1HD      PHE   7   8.962   1.327  -8.733
   67    HD2  PHE   7           2HD      PHE   7   4.980   2.073  -7.258
   68    HE1  PHE   7           1HE      PHE   7   8.217   1.923 -11.028
   69    HE2  PHE   7           2HE      PHE   7   4.252   2.691  -9.544
   70    HZ   PHE   7           HZ       PHE   7   5.863   2.605 -11.437
   71    H    LEU   8           H        LEU   8   5.971   2.926  -4.186
   72    HA   LEU   8           HA       LEU   8   4.960   5.213  -5.584
   73    HB2  LEU   8           1HB      LEU   8   3.628   3.800  -4.025
   74    HB3  LEU   8           2HB      LEU   8   4.590   4.398  -2.668
   75    HG   LEU   8           HG       LEU   8   3.734   6.649  -2.934
   76   HD11  LEU   8          1HD1      LEU   8   3.477   6.841  -5.379
   77   HD12  LEU   8          2HD1      LEU   8   2.170   5.638  -5.354
   78   HD13  LEU   8          3HD1      LEU   8   1.964   7.223  -4.572
   79   HD21  LEU   8          3HD2      LEU   8   1.366   6.260  -2.400
   80   HD22  LEU   8          1HD2      LEU   8   1.462   4.629  -3.101
   81   HD23  LEU   8          2HD2      LEU   8   2.384   5.029  -1.636
   82    H    TYR   9           H        TYR   9   7.110   4.974  -2.724
   83    HA   TYR   9           HA       TYR   9   7.398   7.764  -2.302
   84    HB2  TYR   9           1HB      TYR   9   8.003   5.953  -0.712
   85    HB3  TYR   9           2HB      TYR   9   9.371   5.520  -1.724
   86    HD1  TYR   9           2HD      TYR   9   7.968   8.075   0.562
   87    HD2  TYR   9           1HD      TYR   9  11.400   6.886  -1.762
   88    HE1  TYR   9           2HE      TYR   9   9.349   9.784   1.732
   89    HE2  TYR   9           1HE      TYR   9  12.784   8.592  -0.597
   90    HH   TYR   9           HH       TYR   9  12.830  10.262   0.988
   91    H    ALA  10           H        ALA  10   9.406   5.553  -4.301
   92    HA   ALA  10           HA       ALA  10  11.219   7.553  -5.264
   93    HB1  ALA  10           1HB      ALA  10  11.668   5.123  -5.309
   94    HB2  ALA  10           2HB      ALA  10  10.362   4.894  -6.495
   95    HB3  ALA  10           3HB      ALA  10  11.808   5.830  -6.930
   96    H    TRP  11           H        TRP  11   8.105   6.375  -6.633
   97    HA   TRP  11           HA       TRP  11   8.150   7.909  -9.036
   98    HB2  TRP  11           1HB      TRP  11   6.612   6.052  -8.620
   99    HB3  TRP  11           2HB      TRP  11   5.846   6.924  -7.310
  100    HD1  TRP  11           HD       TRP  11   5.931   6.742 -11.108
  101    HE1  TRP  11           1HE      TRP  11   4.003   8.107 -12.081
  102    HE3  TRP  11           3HE      TRP  11   4.219   8.917  -6.801
  103    HZ2  TRP  11           2HZ      TRP  11   2.068  10.042 -11.138
  104    HZ3  TRP  11           3HZ      TRP  11   2.281  10.455  -6.857
  105    HH2  TRP  11           HH       TRP  11   1.198  11.030  -9.020
  106    H    CYS  12           H        CYS  12   6.770   8.676  -5.828
  107    HA   CYS  12           HA       CYS  12   5.950  11.365  -6.365
  108    HB2  CYS  12           1HB      CYS  12   6.959  10.023  -3.817
  109    HB3  CYS  12           2HB      CYS  12   6.253  11.641  -3.873
  110    HG   CYS  12           HG       CYS  12   4.897   8.733  -4.605
  111    H    GLY  13           H        GLY  13   9.128  10.157  -5.190
  112    HA2  GLY  13           1HA      GLY  13  10.380  12.697  -4.935
  113    HA3  GLY  13           2HA      GLY  13  11.209  11.131  -5.099
  114    H    LYS  14           H        LYS  14   9.954  10.700  -7.828
  115    HA   LYS  14           HA       LYS  14  11.847  12.249  -9.467
  116    HB2  LYS  14           1HB      LYS  14   9.764  10.104 -10.038
  117    HB3  LYS  14           2HB      LYS  14  10.684  10.902 -11.318
  118    HG2  LYS  14           1HG      LYS  14  12.797  10.130 -10.417
  119    HG3  LYS  14           2HG      LYS  14  12.007   9.435  -8.996
  120    HD2  LYS  14           1HD      LYS  14  10.752   7.862 -10.452
  121    HD3  LYS  14           2HD      LYS  14  11.558   8.551 -11.881
  122    HE2  LYS  14           1HE      LYS  14  13.771   7.908 -10.917
  123    HE3  LYS  14           2HE      LYS  14  12.952   7.200  -9.519
  124    HZ1  LYS  14           3HZ      LYS  14  13.496   5.516 -11.174
  125    HZ2  LYS  14           1HZ      LYS  14  11.873   5.626 -11.036
  126    HZ3  LYS  14           2HZ      LYS  14  12.634   6.284 -12.327
  127    H    ARG  15           H        ARG  15   8.782  12.859  -8.256
  128    HA   ARG  15           HA       ARG  15   8.093  14.872 -10.355
  129    HB2  ARG  15           1HB      ARG  15   6.322  13.242  -8.497
  130    HB3  ARG  15           2HB      ARG  15   5.750  14.496  -9.611
  131    HG2  ARG  15           1HG      ARG  15   6.617  13.160 -11.535
  132    HG3  ARG  15           2HG      ARG  15   7.159  11.914 -10.430
  133    HD2  ARG  15           1HD      ARG  15   5.088  11.214 -11.383
  134    HD3  ARG  15           2HD      ARG  15   4.843  11.536  -9.670
  135    HE   ARG  15           HE       ARG  15   3.833  13.727 -10.312
  136   HH11  ARG  15          1HH1      ARG  15   3.817  11.247 -12.861
  137   HH12  ARG  15          2HH1      ARG  15   2.292  11.829 -13.497
  138   HH21  ARG  15          1HH2      ARG  15   1.918  14.406 -11.243
  139   HH22  ARG  15          2HH2      ARG  15   1.217  13.483 -12.550
  140    H    LYS  16           H        LYS  16   9.627  14.895  -7.549
  141    HA   LYS  16           HA       LYS  16  10.015  16.333  -5.855
  142    HB2  LYS  16           1HB      LYS  16   8.421  18.362  -7.476
  143    HB3  LYS  16           2HB      LYS  16   9.525  18.706  -6.147
  144    HG2  LYS  16           1HG      LYS  16  11.410  17.727  -7.444
  145    HG3  LYS  16           2HG      LYS  16  10.314  17.454  -8.812
  146    HD2  LYS  16           1HD      LYS  16   9.841  19.885  -8.929
  147    HD3  LYS  16           2HD      LYS  16  10.950  20.164  -7.567
  148    HE2  LYS  16           1HE      LYS  16  12.817  19.188  -8.892
  149    HE3  LYS  16           2HE      LYS  16  11.715  18.914 -10.248
  150    HZ1  LYS  16           3HZ      LYS  16  12.968  20.969 -10.527
  151    HZ2  LYS  16           1HZ      LYS  16  11.381  21.322 -10.376
  152    HZ3  LYS  16           2HZ      LYS  16  12.400  21.576  -9.121
  153    H    MET  17           H        MET  17   7.770  14.573  -5.590
  154    HA   MET  17           HA       MET  17   6.069  15.992  -3.562
  155    HB2  MET  17           1HB      MET  17   5.422  13.574  -5.302
  156    HB3  MET  17           2HB      MET  17   4.360  14.256  -4.071
  157    HG2  MET  17           1HG      MET  17   4.397  16.434  -5.344
  158    HG3  MET  17           2HG      MET  17   5.248  15.601  -6.641
  159    HE1  MET  17           3HE      MET  17   2.541  12.932  -7.772
  160    HE2  MET  17           1HE      MET  17   4.239  13.423  -7.865
  161    HE3  MET  17           2HE      MET  17   3.615  12.641  -6.398
  162    H    THR  18           H        THR  18   5.182  14.425  -1.941
  163    HA   THR  18           HA       THR  18   6.918  12.127  -1.215
  164    HB   THR  18           HB       THR  18   6.129  14.304   0.762
  165    HG1  THR  18           1HG      THR  18   8.338  14.781   0.741
  166   HG21  THR  18          3HG2      THR  18   7.696  13.104   2.276
  167   HG22  THR  18          1HG2      THR  18   6.341  12.073   1.814
  168   HG23  THR  18          2HG2      THR  18   7.928  11.846   1.042
  169    HA   PRO  19           HA       PRO  19   2.645  10.752  -0.514
  170    HB2  PRO  19           1HB      PRO  19   3.048   8.148   0.136
  171    HB3  PRO  19           2HB      PRO  19   3.328   8.759  -1.524
  172    HG2  PRO  19           1HG      PRO  19   5.379   8.312   0.667
  173    HG3  PRO  19           2HG      PRO  19   5.457   7.796  -1.046
  174    HD2  PRO  19           1HD      PRO  19   6.646  10.094  -0.082
  175    HD3  PRO  19           2HD      PRO  19   6.022   9.961  -1.748
  176    H    ALA  20           H        ALA  20   1.294  10.522   1.251
  177    HA   ALA  20           HA       ALA  20   2.548  10.597   3.976
  178    HB1  ALA  20           1HB      ALA  20   1.645  12.776   3.301
  179    HB2  ALA  20           2HB      ALA  20   0.069  12.027   2.941
  180    HB3  ALA  20           3HB      ALA  20   0.681  12.055   4.609
  181    H    TYR  21           H        TYR  21   2.184   8.833   5.048
  182    HA   TYR  21           HA       TYR  21  -0.150   7.085   4.488
  183    HB2  TYR  21           1HB      TYR  21   2.455   6.593   5.980
  184    HB3  TYR  21           2HB      TYR  21   1.163   5.422   5.832
  185    HD1  TYR  21           1HD      TYR  21   3.754   7.286   3.904
  186    HD2  TYR  21           2HD      TYR  21   0.900   4.053   3.887
  187    HE1  TYR  21           1HE      TYR  21   4.762   6.410   1.813
  188    HE2  TYR  21           2HE      TYR  21   1.913   3.170   1.792
  189    HH   TYR  21           HH       TYR  21   4.663   4.821   0.166
  190    H    GLU  22           H        GLU  22  -1.385   6.171   6.195
  191    HA   GLU  22           HA       GLU  22  -0.926   7.018   8.966
  192    HB2  GLU  22           1HB      GLU  22  -2.455   8.749   8.089
  193    HB3  GLU  22           2HB      GLU  22  -3.580   7.508   7.561
  194    HG2  GLU  22           1HG      GLU  22  -4.349   8.562   9.609
  195    HG3  GLU  22           2HG      GLU  22  -4.024   6.863   9.894
  196    H    ILE  23           H        ILE  23  -1.991   5.624  10.506
  197    HA   ILE  23           HA       ILE  23  -2.632   2.900   9.414
  198    HB   ILE  23           HB       ILE  23  -0.525   3.628  11.479
  199   HG12  ILE  23          1HG1      ILE  23  -0.368   2.280   8.742
  200   HG13  ILE  23          2HG1      ILE  23   0.200   3.903   9.138
  201   HG21  ILE  23          1HG2      ILE  23  -1.735   1.594  12.234
  202   HG22  ILE  23          2HG2      ILE  23  -1.444   0.835  10.650
  203   HG23  ILE  23          3HG2      ILE  23  -0.102   1.220  11.749
  204   HD11  ILE  23          3HD1      ILE  23   2.116   2.538   9.024
  205   HD12  ILE  23          1HD1      ILE  23   1.849   2.858  10.748
  206   HD13  ILE  23          2HD1      ILE  23   1.401   1.281  10.039
  207    H    ARG  24           H        ARG  24  -3.971   1.684  10.489
  208    HA   ARG  24           HA       ARG  24  -5.302   2.587  13.007
  209    HB2  ARG  24           1HB      ARG  24  -6.436   1.929  10.308
  210    HB3  ARG  24           2HB      ARG  24  -7.194   1.085  11.639
  211    HG2  ARG  24           1HG      ARG  24  -8.476   3.029  11.383
  212    HG3  ARG  24           2HG      ARG  24  -7.474   3.342  12.797
  213    HD2  ARG  24           1HD      ARG  24  -5.895   4.623  11.209
  214    HD3  ARG  24           2HD      ARG  24  -7.153   4.449   9.976
  215    HE   ARG  24           HE       ARG  24  -7.850   5.612  12.622
  216   HH11  ARG  24          1HH1      ARG  24  -7.439   6.342   9.123
  217   HH12  ARG  24          2HH1      ARG  24  -8.109   7.920   9.352
  218   HH21  ARG  24          1HH2      ARG  24  -8.722   7.636  12.742
  219   HH22  ARG  24          2HH2      ARG  24  -8.836   8.633  11.325
  220    H    ALA  25           H        ALA  25  -6.055   0.815  14.341
  221    HA   ALA  25           HA       ALA  25  -4.670  -1.800  13.834
  222    HB1  ALA  25           1HB      ALA  25  -3.656  -0.494  15.667
  223    HB2  ALA  25           2HB      ALA  25  -5.230  -0.434  16.494
  224    HB3  ALA  25           3HB      ALA  25  -4.405  -1.990  16.249
  225    H    VAL  26           H        VAL  26  -5.761  -3.681  14.181
  226    HA   VAL  26           HA       VAL  26  -8.601  -3.729  14.998
  227    HB   VAL  26           HB       VAL  26  -9.294  -4.852  12.888
  228   HG11  VAL  26          1HG1      VAL  26  -9.774  -2.441  13.296
  229   HG12  VAL  26          2HG1      VAL  26  -8.335  -2.030  12.326
  230   HG13  VAL  26          3HG1      VAL  26  -9.693  -2.900  11.591
  231   HG21  VAL  26          3HG2      VAL  26  -7.988  -4.589  10.827
  232   HG22  VAL  26          1HG2      VAL  26  -6.650  -3.850  11.733
  233   HG23  VAL  26          2HG2      VAL  26  -7.098  -5.546  12.010
  234    H    GLY  27           H        GLY  27  -9.447  -6.121  14.588
  235    HA2  GLY  27           1HA      GLY  27  -9.052  -8.462  14.695
  236    HA3  GLY  27           2HA      GLY  27  -7.340  -8.174  15.058
  237    H    ASN  28           H        ASN  28  -7.130  -9.324  16.881
  238    HA   ASN  28           HA       ASN  28  -8.840  -8.696  19.261
  239    HB2  ASN  28           1HB      ASN  28  -7.790 -11.454  18.530
  240    HB3  ASN  28           2HB      ASN  28  -8.886 -11.040  19.841
  241   HD21  ASN  28          2HD2      ASN  28 -11.129 -10.349  19.256
  242   HD22  ASN  28          1HD2      ASN  28 -11.787 -10.893  17.725
  243    H    LYS  29           H        LYS  29  -7.806  -9.331  21.351
  244    HA   LYS  29           HA       LYS  29  -5.228  -8.201  21.707
  245    HB2  LYS  29           1HB      LYS  29  -6.664 -10.203  23.524
  246    HB3  LYS  29           2HB      LYS  29  -5.379  -9.075  23.983
  247    HG2  LYS  29           1HG      LYS  29  -6.922  -7.212  23.183
  248    HG3  LYS  29           2HG      LYS  29  -8.225  -8.408  23.129
  249    HD2  LYS  29           1HD      LYS  29  -7.824  -8.954  25.525
  250    HD3  LYS  29           2HD      LYS  29  -6.596  -7.688  25.615
  251    HE2  LYS  29           1HE      LYS  29  -9.532  -7.241  24.884
  252    HE3  LYS  29           2HE      LYS  29  -8.866  -7.042  26.506
  253    HZ1  LYS  29           3HZ      LYS  29  -8.975  -4.927  25.368
  254    HZ2  LYS  29           1HZ      LYS  29  -7.409  -5.300  25.635
  255    HZ3  LYS  29           2HZ      LYS  29  -8.048  -5.457  24.135
  256    H    ASN  30           H        ASN  30  -6.156 -11.518  21.262
  257    HA   ASN  30           HA       ASN  30  -3.369 -12.532  21.406
  258    HB2  ASN  30           1HB      ASN  30  -5.314 -13.612  22.611
  259    HB3  ASN  30           2HB      ASN  30  -5.974 -14.056  21.039
  260   HD21  ASN  30          2HD2      ASN  30  -5.689 -16.292  20.941
  261   HD22  ASN  30          1HD2      ASN  30  -4.163 -17.095  21.264
  262    H    ARG  31           H        ARG  31  -5.021 -11.096  18.991
  263    HA   ARG  31           HA       ARG  31  -3.562 -12.392  16.808
  264    HB2  ARG  31           1HB      ARG  31  -5.586 -13.810  17.055
  265    HB3  ARG  31           2HB      ARG  31  -6.604 -12.389  16.824
  266    HG2  ARG  31           1HG      ARG  31  -5.694 -12.118  14.514
  267    HG3  ARG  31           2HG      ARG  31  -4.614 -13.491  14.789
  268    HD2  ARG  31           1HD      ARG  31  -6.549 -14.181  13.487
  269    HD3  ARG  31           2HD      ARG  31  -6.558 -14.986  15.064
  270    HE   ARG  31           HE       ARG  31  -8.109 -12.658  15.369
  271   HH11  ARG  31          1HH1      ARG  31  -8.376 -15.603  13.416
  272   HH12  ARG  31          2HH1      ARG  31 -10.113 -15.542  13.421
  273   HH21  ARG  31          1HH2      ARG  31 -10.290 -12.678  15.402
  274   HH22  ARG  31          2HH2      ARG  31 -11.198 -13.882  14.515
  275    H    GLN  32           H        GLN  32  -2.618 -10.248  17.122
  276    HA   GLN  32           HA       GLN  32  -4.194  -7.856  16.686
  277    HB2  GLN  32           1HB      GLN  32  -2.198  -7.980  18.179
  278    HB3  GLN  32           2HB      GLN  32  -1.174  -8.305  16.779
  279    HG2  GLN  32           1HG      GLN  32  -0.984  -5.967  17.432
  280    HG3  GLN  32           2HG      GLN  32  -1.715  -6.084  15.840
  281   HE21  GLN  32          2HE2      GLN  32  -3.437  -4.604  15.591
  282   HE22  GLN  32          1HE2      GLN  32  -4.510  -4.174  16.916
  283    H    LYS  33           H        LYS  33  -4.427  -6.625  14.883
  284    HA   LYS  33           HA       LYS  33  -2.892  -7.175  12.405
  285    HB2  LYS  33           1HB      LYS  33  -5.924  -7.322  12.700
  286    HB3  LYS  33           2HB      LYS  33  -5.105  -7.095  11.147
  287    HG2  LYS  33           1HG      LYS  33  -3.896  -9.262  11.513
  288    HG3  LYS  33           2HG      LYS  33  -4.862  -9.511  12.985
  289    HD2  LYS  33           1HD      LYS  33  -6.941  -9.416  11.645
  290    HD3  LYS  33           2HD      LYS  33  -5.980  -9.161  10.170
  291    HE2  LYS  33           1HE      LYS  33  -4.834 -11.344  10.554
  292    HE3  LYS  33           2HE      LYS  33  -5.819 -11.602  12.001
  293    HZ1  LYS  33           3HZ      LYS  33  -6.752 -12.742  10.070
  294    HZ2  LYS  33           1HZ      LYS  33  -7.796 -11.588  10.573
  295    HZ3  LYS  33           2HZ      LYS  33  -6.881 -11.344   9.238
  296    H    PHE  34           H        PHE  34  -3.249  -5.497  10.766
  297    HA   PHE  34           HA       PHE  34  -3.959  -2.831  11.886
  298    HB2  PHE  34           1HB      PHE  34  -1.347  -3.546  10.502
  299    HB3  PHE  34           2HB      PHE  34  -1.866  -1.917  10.920
  300    HD1  PHE  34           2HD      PHE  34  -2.189  -1.269  13.350
  301    HD2  PHE  34           1HD      PHE  34  -0.367  -4.991  12.175
  302    HE1  PHE  34           2HE      PHE  34  -1.284  -1.555  15.647
  303    HE2  PHE  34           1HE      PHE  34   0.575  -5.254  14.455
  304    HZ   PHE  34           HZ       PHE  34   0.111  -3.539  16.199
  305    H    MET  35           H        MET  35  -4.456  -1.273  10.471
  306    HA   MET  35           HA       MET  35  -4.917  -1.946   7.600
  307    HB2  MET  35           1HB      MET  35  -6.670  -0.212   9.379
  308    HB3  MET  35           2HB      MET  35  -6.856  -0.449   7.638
  309    HG2  MET  35           1HG      MET  35  -7.159  -2.925   8.086
  310    HG3  MET  35           2HG      MET  35  -7.110  -2.562   9.806
  311    HE1  MET  35           3HE      MET  35 -10.512  -1.516   6.873
  312    HE2  MET  35           1HE      MET  35  -8.911  -0.776   6.696
  313    HE3  MET  35           2HE      MET  35  -9.099  -2.538   6.532
  314    H    CYS  36           H        CYS  36  -4.639  -0.120   6.169
  315    HA   CYS  36           HA       CYS  36  -3.288   2.268   7.266
  316    HB2  CYS  36           1HB      CYS  36  -1.531   0.515   7.052
  317    HB3  CYS  36           2HB      CYS  36  -1.935   0.342   5.332
  318    HG   CYS  36           HG       CYS  36  -1.105   3.193   6.838
  319    H    GLU  37           H        GLU  37  -3.039   3.957   5.794
  320    HA   GLU  37           HA       GLU  37  -4.447   3.832   3.219
  321    HB2  GLU  37           1HB      GLU  37  -5.801   5.787   3.813
  322    HB3  GLU  37           2HB      GLU  37  -6.178   4.392   4.825
  323    HG2  GLU  37           1HG      GLU  37  -4.631   5.417   6.601
  324    HG3  GLU  37           2HG      GLU  37  -4.587   6.864   5.590
  325    H    VAL  38           H        VAL  38  -3.670   5.341   1.732
  326    HA   VAL  38           HA       VAL  38  -1.570   7.243   2.628
  327    HB   VAL  38           HB       VAL  38  -0.493   5.101   1.945
  328   HG11  VAL  38          1HG1      VAL  38  -2.038   4.499   0.074
  329   HG12  VAL  38          2HG1      VAL  38  -1.332   5.820  -0.884
  330   HG13  VAL  38          3HG1      VAL  38  -0.324   4.460  -0.371
  331   HG21  VAL  38          3HG2      VAL  38   1.255   6.131   0.544
  332   HG22  VAL  38          1HG2      VAL  38   0.204   7.497   0.179
  333   HG23  VAL  38          2HG2      VAL  38   0.766   7.227   1.844
  334    H    ARG  39           H        ARG  39  -1.298   9.039   1.499
  335    HA   ARG  39           HA       ARG  39  -3.029   9.656  -0.858
  336    HB2  ARG  39           1HB      ARG  39  -2.724  11.279   1.712
  337    HB3  ARG  39           2HB      ARG  39  -3.537  11.853   0.250
  338    HG2  ARG  39           1HG      ARG  39  -5.221  10.073   0.435
  339    HG3  ARG  39           2HG      ARG  39  -4.415   9.423   1.871
  340    HD2  ARG  39           1HD      ARG  39  -4.792  11.609   3.042
  341    HD3  ARG  39           2HD      ARG  39  -5.675  12.179   1.625
  342    HE   ARG  39           HE       ARG  39  -7.509  10.939   2.253
  343   HH11  ARG  39          1HH1      ARG  39  -4.792   9.713   4.226
  344   HH12  ARG  39          2HH1      ARG  39  -5.906   8.699   5.146
  345   HH21  ARG  39          1HH2      ARG  39  -8.763   9.539   3.571
  346   HH22  ARG  39          2HH2      ARG  39  -7.924   8.597   4.801
  347    H    VAL  40           H        VAL  40  -2.325  11.582  -1.997
  348    HA   VAL  40           HA       VAL  40   0.459  12.531  -1.567
  349    HB   VAL  40           HB       VAL  40  -0.553  11.534  -4.265
  350   HG11  VAL  40          1HG1      VAL  40   0.982  13.435  -4.522
  351   HG12  VAL  40          2HG1      VAL  40   2.159  12.667  -3.435
  352   HG13  VAL  40          3HG1      VAL  40   1.787  11.948  -5.016
  353   HG21  VAL  40          3HG2      VAL  40   1.237   9.813  -4.115
  354   HG22  VAL  40          1HG2      VAL  40   1.600  10.337  -2.462
  355   HG23  VAL  40          2HG2      VAL  40   0.033   9.593  -2.844
  356    H    GLU  41           H        GLU  41   0.671  14.685  -2.007
  357    HA   GLU  41           HA       GLU  41  -1.624  16.324  -2.089
  358    HB2  GLU  41           1HB      GLU  41   0.585  16.937  -1.141
  359    HB3  GLU  41           2HB      GLU  41   1.249  17.067  -2.775
  360    HG2  GLU  41           1HG      GLU  41  -0.338  18.897  -3.285
  361    HG3  GLU  41           2HG      GLU  41  -1.095  18.704  -1.701
  362    H    GLY  42           H        GLY  42  -2.841  17.171  -3.667
  363    HA2  GLY  42           1HA      GLY  42  -3.388  18.030  -5.792
  364    HA3  GLY  42           2HA      GLY  42  -1.935  17.283  -6.495
  365    H    PHE  43           H        PHE  43  -3.402  14.906  -4.662
  366    HA   PHE  43           HA       PHE  43  -5.184  13.961  -6.877
  367    HB2  PHE  43           1HB      PHE  43  -3.337  12.323  -5.102
  368    HB3  PHE  43           2HB      PHE  43  -4.470  11.678  -6.277
  369    HD1  PHE  43           1HD      PHE  43  -4.049  11.887  -8.715
  370    HD2  PHE  43           2HD      PHE  43  -1.255  13.441  -5.822
  371    HE1  PHE  43           1HE      PHE  43  -2.341  12.143 -10.495
  372    HE2  PHE  43           2HE      PHE  43   0.438  13.709  -7.604
  373    HZ   PHE  43           HZ       PHE  43  -0.096  13.051  -9.949
  374    H    ASN  44           H        ASN  44  -7.195  13.419  -6.319
  375    HA   ASN  44           HA       ASN  44  -8.075  13.992  -3.602
  376    HB2  ASN  44           1HB      ASN  44 -10.314  13.867  -4.528
  377    HB3  ASN  44           2HB      ASN  44  -9.274  14.858  -5.537
  378   HD21  ASN  44          2HD2      ASN  44  -9.301  14.404  -7.743
  379   HD22  ASN  44          1HD2      ASN  44  -9.912  12.907  -8.421
  380    H    TYR  45           H        TYR  45  -7.114  11.068  -5.097
  381    HA   TYR  45           HA       TYR  45  -8.961   9.316  -3.672
  382    HB2  TYR  45           1HB      TYR  45  -8.069   8.919  -5.964
  383    HB3  TYR  45           2HB      TYR  45  -6.463   8.688  -5.273
  384    HD1  TYR  45           2HD      TYR  45  -9.990   7.419  -5.107
  385    HD2  TYR  45           1HD      TYR  45  -5.808   6.495  -4.595
  386    HE1  TYR  45           2HE      TYR  45 -10.566   5.028  -4.757
  387    HE2  TYR  45           1HE      TYR  45  -6.380   4.095  -4.263
  388    HH   TYR  45           HH       TYR  45  -9.774   2.917  -4.341
  389    H    ALA  46           H        ALA  46  -8.337   7.644  -2.222
  390    HA   ALA  46           HA       ALA  46  -5.726   7.899  -0.827
  391    HB1  ALA  46           1HB      ALA  46  -7.443   9.003   0.580
  392    HB2  ALA  46           2HB      ALA  46  -8.425   7.527   0.548
  393    HB3  ALA  46           3HB      ALA  46  -6.830   7.514   1.334
  394    H    GLY  47           H        GLY  47  -4.689   6.074  -1.272
  395    HA2  GLY  47           1HA      GLY  47  -6.088   3.562  -1.965
  396    HA3  GLY  47           2HA      GLY  47  -4.331   3.832  -1.976
  397    H    MET  48           H        MET  48  -6.108   1.717  -0.705
  398    HA   MET  48           HA       MET  48  -5.161   1.999   2.120
  399    HB2  MET  48           1HB      MET  48  -7.959   1.211   1.217
  400    HB3  MET  48           2HB      MET  48  -7.351   1.172   2.880
  401    HG2  MET  48           1HG      MET  48  -6.850   3.642   2.666
  402    HG3  MET  48           2HG      MET  48  -7.707   3.621   1.125
  403    HE1  MET  48           3HE      MET  48 -10.138   5.585   3.415
  404    HE2  MET  48           1HE      MET  48  -8.365   5.613   3.483
  405    HE3  MET  48           2HE      MET  48  -9.196   5.573   1.910
  406    H    GLY  49           H        GLY  49  -4.888   0.204   3.339
  407    HA2  GLY  49           1HA      GLY  49  -4.752  -2.479   2.023
  408    HA3  GLY  49           2HA      GLY  49  -3.297  -1.734   2.689
  409    H    ASN  50           H        ASN  50  -4.022  -4.162   3.596
  410    HA   ASN  50           HA       ASN  50  -4.136  -3.615   6.421
  411    HB2  ASN  50           1HB      ASN  50  -6.022  -4.944   7.037
  412    HB3  ASN  50           2HB      ASN  50  -6.585  -3.771   5.855
  413   HD21  ASN  50          2HD2      ASN  50  -7.040  -4.576   3.618
  414   HD22  ASN  50          1HD2      ASN  50  -7.379  -6.282   3.393
  415    H    SER  51           H        SER  51  -3.383  -5.362   7.739
  416    HA   SER  51           HA       SER  51  -2.664  -7.947   6.702
  417    HB2  SER  51           1HB      SER  51  -0.978  -6.395   5.517
  418    HB3  SER  51           2HB      SER  51  -0.261  -6.138   7.111
  419    HG   SER  51           HG       SER  51   0.313  -8.032   5.502
  420    H    THR  52           H        THR  52  -0.688  -8.795   8.271
  421    HA   THR  52           HA       THR  52  -1.692  -8.681  11.038
  422    HB   THR  52           HB       THR  52   0.148 -10.305  11.451
  423    HG1  THR  52           1HG      THR  52   1.284 -11.032   9.587
  424   HG21  THR  52          3HG2      THR  52  -0.772 -12.152  10.159
  425   HG22  THR  52          1HG2      THR  52  -2.090 -11.097  10.696
  426   HG23  THR  52          2HG2      THR  52  -1.533 -11.034   9.008
  427    H    ASN  53           H        ASN  53   0.533  -6.864   9.226
  428    HA   ASN  53           HA       ASN  53   1.822  -5.732  11.636
  429    HB2  ASN  53           1HB      ASN  53   4.041  -6.143  10.786
  430    HB3  ASN  53           2HB      ASN  53   3.185  -7.676  10.904
  431   HD21  ASN  53          2HD2      ASN  53   2.457  -8.724   8.876
  432   HD22  ASN  53          1HD2      ASN  53   3.205  -8.253   7.361
  433    H    LYS  54           H        LYS  54   2.848  -3.732  11.338
  434    HA   LYS  54           HA       LYS  54   1.358  -1.946   9.692
  435    HB2  LYS  54           1HB      LYS  54   3.882  -1.590  11.368
  436    HB3  LYS  54           2HB      LYS  54   3.009  -0.259  10.609
  437    HG2  LYS  54           1HG      LYS  54   0.936  -0.932  11.864
  438    HG3  LYS  54           2HG      LYS  54   1.879  -2.175  12.702
  439    HD2  LYS  54           1HD      LYS  54   3.398  -0.424  13.596
  440    HD3  LYS  54           2HD      LYS  54   2.438   0.825  12.771
  441    HE2  LYS  54           1HE      LYS  54   0.430   0.133  14.068
  442    HE3  LYS  54           2HE      LYS  54   1.381  -1.117  14.878
  443    HZ1  LYS  54           3HZ      LYS  54   1.211   0.882  16.239
  444    HZ2  LYS  54           1HZ      LYS  54   2.771   0.641  15.826
  445    HZ3  LYS  54           2HZ      LYS  54   1.896   1.802  15.077
  446    H    LYS  55           H        LYS  55   4.497  -3.448   9.037
  447    HA   LYS  55           HA       LYS  55   5.254  -1.594   6.907
  448    HB2  LYS  55           1HB      LYS  55   6.224  -4.331   7.809
  449    HB3  LYS  55           2HB      LYS  55   6.729  -3.653   6.269
  450    HG2  LYS  55           1HG      LYS  55   8.427  -3.128   7.795
  451    HG3  LYS  55           2HG      LYS  55   7.594  -1.623   7.415
  452    HD2  LYS  55           1HD      LYS  55   6.424  -1.710   9.607
  453    HD3  LYS  55           2HD      LYS  55   7.193  -3.281   9.949
  454    HE2  LYS  55           1HE      LYS  55   9.439  -2.152   9.679
  455    HE3  LYS  55           2HE      LYS  55   8.610  -0.605   9.501
  456    HZ1  LYS  55           3HZ      LYS  55   9.376  -1.000  11.771
  457    HZ2  LYS  55           1HZ      LYS  55   7.742  -0.889  11.756
  458    HZ3  LYS  55           2HZ      LYS  55   8.474  -2.349  11.902
  459    H    ASP  56           H        ASP  56   3.861  -4.921   6.817
  460    HA   ASP  56           HA       ASP  56   3.482  -4.840   3.971
  461    HB2  ASP  56           1HB      ASP  56   3.748  -6.874   5.404
  462    HB3  ASP  56           2HB      ASP  56   2.114  -6.615   6.007
  463    H    ALA  57           H        ALA  57   1.339  -3.893   6.665
  464    HA   ALA  57           HA       ALA  57  -1.009  -3.428   5.085
  465    HB1  ALA  57           1HB      ALA  57  -0.978  -3.464   7.566
  466    HB2  ALA  57           2HB      ALA  57  -0.042  -1.949   7.577
  467    HB3  ALA  57           3HB      ALA  57  -1.700  -1.973   6.936
  468    H    GLN  58           H        GLN  58   1.801  -1.260   5.746
  469    HA   GLN  58           HA       GLN  58   0.861   0.933   4.106
  470    HB2  GLN  58           1HB      GLN  58   3.630   0.071   5.022
  471    HB3  GLN  58           2HB      GLN  58   3.357   1.478   3.998
  472    HG2  GLN  58           1HG      GLN  58   2.092   2.614   5.678
  473    HG3  GLN  58           2HG      GLN  58   1.993   1.173   6.695
  474   HE21  GLN  58          2HE2      GLN  58   3.874   0.504   7.872
  475   HE22  GLN  58          1HE2      GLN  58   5.237   1.610   8.105
  476    H    SER  59           H        SER  59   2.950  -1.930   3.289
  477    HA   SER  59           HA       SER  59   3.314  -1.228   0.567
  478    HB2  SER  59           1HB      SER  59   3.077  -3.979   1.835
  479    HB3  SER  59           2HB      SER  59   3.660  -3.661   0.194
  480    HG   SER  59           HG       SER  59   5.389  -3.835   1.727
  481    H    ASN  60           H        ASN  60   0.501  -2.833   2.088
  482    HA   ASN  60           HA       ASN  60  -0.830  -3.312  -0.469
  483    HB2  ASN  60           1HB      ASN  60  -1.687  -3.471   2.431
  484    HB3  ASN  60           2HB      ASN  60  -2.863  -3.571   1.114
  485   HD21  ASN  60          2HD2      ASN  60  -0.138  -5.265   2.638
  486   HD22  ASN  60          1HD2      ASN  60  -0.461  -6.785   1.830
  487    H    ALA  61           H        ALA  61  -0.948  -0.655   1.953
  488    HA   ALA  61           HA       ALA  61  -3.020   0.854   0.628
  489    HB1  ALA  61           1HB      ALA  61  -2.279   1.215   2.987
  490    HB2  ALA  61           2HB      ALA  61  -0.719   1.825   2.387
  491    HB3  ALA  61           3HB      ALA  61  -2.214   2.705   2.024
  492    H    ALA  62           H        ALA  62   0.544   0.969   0.360
  493    HA   ALA  62           HA       ALA  62   0.735   2.930  -1.684
  494    HB1  ALA  62           1HB      ALA  62   2.609   2.077  -0.296
  495    HB2  ALA  62           2HB      ALA  62   2.503   0.509  -1.119
  496    HB3  ALA  62           3HB      ALA  62   2.967   1.962  -2.035
  497    H    ARG  63           H        ARG  63   0.527  -0.669  -1.986
  498    HA   ARG  63           HA       ARG  63   0.515  -0.805  -4.778
  499    HB2  ARG  63           1HB      ARG  63   0.652  -2.781  -3.285
  500    HB3  ARG  63           2HB      ARG  63  -1.021  -2.545  -2.800
  501    HG2  ARG  63           1HG      ARG  63  -0.819  -4.344  -4.426
  502    HG3  ARG  63           2HG      ARG  63  -1.809  -3.040  -5.065
  503    HD2  ARG  63           1HD      ARG  63   0.109  -2.219  -6.414
  504    HD3  ARG  63           2HD      ARG  63   1.134  -3.497  -5.758
  505    HE   ARG  63           HE       ARG  63  -0.821  -3.683  -7.883
  506   HH11  ARG  63          1HH1      ARG  63   0.722  -5.688  -5.381
  507   HH12  ARG  63          2HH1      ARG  63   0.477  -7.148  -6.312
  508   HH21  ARG  63          1HH2      ARG  63  -1.025  -5.637  -9.008
  509   HH22  ARG  63          2HH2      ARG  63  -0.408  -7.107  -8.295
  510    H    ASP  64           H        ASP  64  -2.320  -0.230  -2.632
  511    HA   ASP  64           HA       ASP  64  -4.170  -0.187  -4.847
  512    HB2  ASP  64           1HB      ASP  64  -4.761  -0.782  -2.536
  513    HB3  ASP  64           2HB      ASP  64  -4.470   0.888  -2.039
  514    H    PHE  65           H        PHE  65  -2.261   2.419  -3.300
  515    HA   PHE  65           HA       PHE  65  -3.608   4.495  -4.857
  516    HB2  PHE  65           1HB      PHE  65  -2.482   4.889  -2.660
  517    HB3  PHE  65           2HB      PHE  65  -0.928   4.678  -3.455
  518    HD1  PHE  65           2HD      PHE  65  -0.184   6.349  -5.192
  519    HD2  PHE  65           1HD      PHE  65  -3.855   6.877  -3.002
  520    HE1  PHE  65           2HE      PHE  65  -0.308   8.710  -5.953
  521    HE2  PHE  65           1HE      PHE  65  -3.986   9.224  -3.789
  522    HZ   PHE  65           HZ       PHE  65  -2.218  10.137  -5.280
  523    H    VAL  66           H        VAL  66  -0.583   2.601  -5.262
  524    HA   VAL  66           HA       VAL  66   0.215   3.853  -7.734
  525    HB   VAL  66           HB       VAL  66   0.756   1.073  -6.631
  526   HG11  VAL  66          1HG1      VAL  66   1.039   0.856  -9.035
  527   HG12  VAL  66          2HG1      VAL  66   1.901   2.408  -9.125
  528   HG13  VAL  66          3HG1      VAL  66   2.643   1.014  -8.314
  529   HG21  VAL  66          3HG2      VAL  66   2.934   1.995  -6.082
  530   HG22  VAL  66          1HG2      VAL  66   2.552   3.523  -6.914
  531   HG23  VAL  66          2HG2      VAL  66   1.700   3.076  -5.427
  532    H    ASN  67           H        ASN  67  -1.873   1.038  -7.046
  533    HA   ASN  67           HA       ASN  67  -2.681   0.477  -9.718
  534    HB2  ASN  67           1HB      ASN  67  -4.231   0.227  -7.117
  535    HB3  ASN  67           2HB      ASN  67  -4.833  -0.330  -8.670
  536   HD21  ASN  67          2HD2      ASN  67  -4.629  -2.110  -6.575
  537   HD22  ASN  67          1HD2      ASN  67  -3.372  -3.268  -6.957
  538    H    TYR  68           H        TYR  68  -4.237   2.842  -7.393
  539    HA   TYR  68           HA       TYR  68  -6.022   4.006  -9.241
  540    HB2  TYR  68           1HB      TYR  68  -6.312   4.651  -7.059
  541    HB3  TYR  68           2HB      TYR  68  -4.631   4.997  -6.780
  542    HD1  TYR  68           2HD      TYR  68  -7.663   6.282  -8.565
  543    HD2  TYR  68           1HD      TYR  68  -3.756   7.193  -6.978
  544    HE1  TYR  68           2HE      TYR  68  -8.079   8.701  -8.932
  545    HE2  TYR  68           1HE      TYR  68  -4.160   9.606  -7.358
  546    HH   TYR  68           HH       TYR  68  -7.270  10.838  -8.679
  547    H    LEU  69           H        LEU  69  -2.557   4.889  -8.811
  548    HA   LEU  69           HA       LEU  69  -2.572   6.882 -10.870
  549    HB2  LEU  69           1HB      LEU  69  -0.281   5.147  -9.901
  550    HB3  LEU  69           2HB      LEU  69  -0.138   6.563 -10.934
  551    HG   LEU  69           HG       LEU  69  -1.263   6.692  -8.113
  552   HD11  LEU  69          1HD1      LEU  69   1.069   5.934  -8.079
  553   HD12  LEU  69          2HD1      LEU  69   1.536   7.264  -9.153
  554   HD13  LEU  69          3HD1      LEU  69   0.963   7.604  -7.510
  555   HD21  LEU  69          3HD2      LEU  69  -0.805   9.123  -8.356
  556   HD22  LEU  69          1HD2      LEU  69  -0.368   8.859 -10.056
  557   HD23  LEU  69          2HD2      LEU  69  -2.028   8.555  -9.494
  558    H    VAL  70           H        VAL  70  -2.530   3.388 -11.228
  559    HA   VAL  70           HA       VAL  70  -2.022   3.562 -14.127
  560    HB   VAL  70           HB       VAL  70  -3.087   1.202 -12.534
  561   HG11  VAL  70          1HG1      VAL  70  -3.657   0.978 -14.914
  562   HG12  VAL  70          2HG1      VAL  70  -1.976   1.342 -15.371
  563   HG13  VAL  70          3HG1      VAL  70  -2.373  -0.150 -14.488
  564   HG21  VAL  70          3HG2      VAL  70  -0.837   0.267 -12.665
  565   HG22  VAL  70          1HG2      VAL  70  -0.247   1.703 -13.523
  566   HG23  VAL  70          2HG2      VAL  70  -0.776   1.824 -11.840
  567    H    ARG  71           H        ARG  71  -4.879   3.243 -11.983
  568    HA   ARG  71           HA       ARG  71  -6.880   3.051 -13.990
  569    HB2  ARG  71           1HB      ARG  71  -7.114   4.416 -11.283
  570    HB3  ARG  71           2HB      ARG  71  -8.454   3.931 -12.307
  571    HG2  ARG  71           1HG      ARG  71  -7.937   1.565 -12.014
  572    HG3  ARG  71           2HG      ARG  71  -6.462   1.954 -11.140
  573    HD2  ARG  71           1HD      ARG  71  -8.053   3.259  -9.505
  574    HD3  ARG  71           2HD      ARG  71  -9.322   2.271 -10.223
  575    HE   ARG  71           HE       ARG  71  -7.769   0.290  -9.581
  576   HH11  ARG  71          1HH1      ARG  71  -8.160   3.158  -7.518
  577   HH12  ARG  71          2HH1      ARG  71  -7.682   2.280  -6.093
  578   HH21  ARG  71          1HH2      ARG  71  -7.261  -0.754  -7.626
  579   HH22  ARG  71          2HH2      ARG  71  -7.153   0.181  -6.149
  580    H    ILE  72           H        ILE  72  -5.177   5.920 -12.785
  581    HA   ILE  72           HA       ILE  72  -6.637   7.631 -14.767
  582    HB   ILE  72           HB       ILE  72  -5.908   9.548 -13.587
  583   HG12  ILE  72          1HG1      ILE  72  -4.484   7.863 -11.507
  584   HG13  ILE  72          2HG1      ILE  72  -3.629   8.593 -12.860
  585   HG21  ILE  72          1HG2      ILE  72  -7.925   8.295 -12.808
  586   HG22  ILE  72          2HG2      ILE  72  -6.933   7.525 -11.551
  587   HG23  ILE  72          3HG2      ILE  72  -7.183   9.283 -11.546
  588   HD11  ILE  72          3HD1      ILE  72  -3.449   9.983 -10.871
  589   HD12  ILE  72          1HD1      ILE  72  -4.358  10.836 -12.135
  590   HD13  ILE  72          2HD1      ILE  72  -5.208  10.113 -10.752
  591    H    ASN  73           H        ASN  73  -4.056   5.768 -15.071
  592    HA   ASN  73           HA       ASN  73  -2.414   5.599 -16.560
  593    HB2  ASN  73           1HB      ASN  73  -3.620   8.016 -17.956
  594    HB3  ASN  73           2HB      ASN  73  -2.576   6.795 -18.662
  595   HD21  ASN  73          2HD2      ASN  73  -5.822   7.664 -18.223
  596   HD22  ASN  73          1HD2      ASN  73  -6.529   6.104 -18.614
  597    H    GLU  74           H        GLU  74  -1.995   7.538 -14.240
  598    HA   GLU  74           HA       GLU  74   0.244   9.233 -15.155
  599    HB2  GLU  74           1HB      GLU  74  -1.117   8.697 -12.504
  600    HB3  GLU  74           2HB      GLU  74   0.426   9.529 -12.551
  601    HG2  GLU  74           1HG      GLU  74  -1.890  10.528 -14.234
  602    HG3  GLU  74           2HG      GLU  74  -1.748  10.920 -12.525
  603    H    VAL  75           H        VAL  75  -0.159   5.973 -14.119
  604    HA   VAL  75           HA       VAL  75   2.792   5.560 -14.334
  605    HB   VAL  75           HB       VAL  75   0.967   4.281 -12.234
  606   HG11  VAL  75          1HG1      VAL  75   2.591   2.595 -13.047
  607   HG12  VAL  75          2HG1      VAL  75   3.924   3.773 -12.825
  608   HG13  VAL  75          3HG1      VAL  75   3.031   3.135 -11.434
  609   HG21  VAL  75          3HG2      VAL  75   2.453   5.276 -10.577
  610   HG22  VAL  75          1HG2      VAL  75   3.517   5.879 -11.866
  611   HG23  VAL  75          2HG2      VAL  75   1.909   6.583 -11.640
  612    H    LYS  76           H        LYS  76   3.325   3.796 -15.602
  613    HA   LYS  76           HA       LYS  76   1.147   2.215 -16.867
  614    HB2  LYS  76           1HB      LYS  76   4.174   2.250 -17.243
  615    HB3  LYS  76           2HB      LYS  76   3.071   1.125 -18.032
  616    HG2  LYS  76           1HG      LYS  76   1.860   3.081 -19.060
  617    HG3  LYS  76           2HG      LYS  76   3.069   4.159 -18.353
  618    HD2  LYS  76           1HD      LYS  76   3.622   3.711 -20.693
  619    HD3  LYS  76           2HD      LYS  76   4.858   3.012 -19.633
  620    HE2  LYS  76           1HE      LYS  76   3.715   0.781 -19.840
  621    HE3  LYS  76           2HE      LYS  76   2.546   1.492 -20.953
  622    HZ1  LYS  76           3HZ      LYS  76   4.456   0.270 -21.935
  623    HZ2  LYS  76           1HZ      LYS  76   4.293   1.801 -22.538
  624    HZ3  LYS  76           2HZ      LYS  76   5.470   1.449 -21.447
  625    H    SER  77           H        SER  77   0.628   0.140 -16.276
  626    HA   SER  77           HA       SER  77   1.425  -1.023 -13.817
  627    HB2  SER  77           1HB      SER  77   0.402  -3.100 -14.770
  628    HB3  SER  77           2HB      SER  77  -0.624  -1.659 -14.834
  629    HG   SER  77           HG       SER  77  -0.619  -2.843 -16.840
  630    H    GLU  78           H        GLU  78   2.817  -1.468 -17.062
  631    HA   GLU  78           HA       GLU  78   4.539  -3.619 -16.614
  632    HB2  GLU  78           1HB      GLU  78   5.047  -1.153 -18.332
  633    HB3  GLU  78           2HB      GLU  78   5.917  -2.686 -18.444
  634    HG2  GLU  78           1HG      GLU  78   3.720  -3.826 -18.957
  635    HG3  GLU  78           2HG      GLU  78   2.973  -2.228 -19.060
  636    H    GLU  79           H        GLU  79   4.901  -0.383 -15.290
  637    HA   GLU  79           HA       GLU  79   7.754  -0.768 -14.598
  638    HB2  GLU  79           1HB      GLU  79   5.774   1.464 -13.985
  639    HB3  GLU  79           2HB      GLU  79   7.472   1.476 -13.558
  640    HG2  GLU  79           1HG      GLU  79   6.354   1.406 -16.393
  641    HG3  GLU  79           2HG      GLU  79   7.004   2.818 -15.574
  642    H    VAL  80           H        VAL  80   4.729  -1.561 -13.171
  643    HA   VAL  80           HA       VAL  80   5.379  -0.780 -10.450
  644    HB   VAL  80           HB       VAL  80   3.050  -2.448 -11.464
  645   HG11  VAL  80          1HG1      VAL  80   3.373  -2.850  -9.071
  646   HG12  VAL  80          2HG1      VAL  80   3.560  -1.108  -8.780
  647   HG13  VAL  80          3HG1      VAL  80   1.990  -1.773  -9.289
  648   HG21  VAL  80          3HG2      VAL  80   1.758  -0.354 -11.230
  649   HG22  VAL  80          1HG2      VAL  80   3.240   0.521 -10.779
  650   HG23  VAL  80          2HG2      VAL  80   3.054  -0.154 -12.406
  651    HA   PRO  81           HA       PRO  81   7.261  -4.832  -9.528
  652    HB2  PRO  81           1HB      PRO  81   8.227  -4.321  -7.043
  653    HB3  PRO  81           2HB      PRO  81   8.970  -3.632  -8.518
  654    HG2  PRO  81           1HG      PRO  81   7.051  -2.297  -6.596
  655    HG3  PRO  81           2HG      PRO  81   8.549  -1.640  -7.323
  656    HD2  PRO  81           1HD      PRO  81   5.996  -1.161  -8.305
  657    HD3  PRO  81           2HD      PRO  81   7.460  -1.146  -9.327
  658    H    ALA  82           H        ALA  82   6.094  -6.564  -8.913
  659    HA   ALA  82           HA       ALA  82   4.309  -6.492  -6.565
  660    HB1  ALA  82           1HB      ALA  82   2.908  -5.571  -8.346
  661    HB2  ALA  82           2HB      ALA  82   3.328  -6.920  -9.424
  662    HB3  ALA  82           3HB      ALA  82   2.366  -7.219  -7.966
  663    H    VAL  83           H        VAL  83   4.433  -8.372  -5.502
  664    HA   VAL  83           HA       VAL  83   5.598 -10.759  -6.669
  665    HB   VAL  83           HB       VAL  83   4.346 -11.354  -4.140
  666   HG11  VAL  83          1HG1      VAL  83   6.368 -12.386  -5.118
  667   HG12  VAL  83          2HG1      VAL  83   7.240 -10.848  -4.910
  668   HG13  VAL  83          3HG1      VAL  83   6.686 -11.761  -3.485
  669   HG21  VAL  83          3HG2      VAL  83   5.445  -9.841  -2.600
  670   HG22  VAL  83          1HG2      VAL  83   6.029  -8.833  -3.935
  671   HG23  VAL  83          2HG2      VAL  83   4.282  -8.961  -3.594
  672    H    GLY  84           H        GLY  84   2.488  -9.519  -6.769
  673    HA2  GLY  84           1HA      GLY  84   1.172 -11.492  -8.156
  674    HA3  GLY  84           2HA      GLY  84   0.903 -11.941  -6.480
  675    H    ILE  85           H        ILE  85  -1.346 -11.563  -6.875
  676    HA   ILE  85           HA       ILE  85  -2.246  -8.709  -7.066
  677    HB   ILE  85           HB       ILE  85  -3.847 -11.269  -7.426
  678   HG12  ILE  85          1HG1      ILE  85  -2.297 -11.153  -9.279
  679   HG13  ILE  85          2HG1      ILE  85  -3.918 -10.789  -9.819
  680   HG21  ILE  85          1HG2      ILE  85  -5.275  -9.454  -6.693
  681   HG22  ILE  85          2HG2      ILE  85  -4.578  -8.345  -7.891
  682   HG23  ILE  85          3HG2      ILE  85  -5.559  -9.732  -8.411
  683   HD11  ILE  85          3HD1      ILE  85  -2.295  -9.333 -10.917
  684   HD12  ILE  85          1HD1      ILE  85  -3.354  -8.354  -9.891
  685   HD13  ILE  85          2HD1      ILE  85  -1.698  -8.744  -9.360
  686    H    VAL  86           H        VAL  86  -3.160  -7.756  -5.300
  687    HA   VAL  86           HA       VAL  86  -4.145  -9.367  -3.040
  688    HB   VAL  86           HB       VAL  86  -3.018  -7.746  -1.486
  689   HG11  VAL  86          1HG1      VAL  86  -2.334 -10.113  -1.717
  690   HG12  VAL  86          2HG1      VAL  86  -1.162  -9.643  -2.971
  691   HG13  VAL  86          3HG1      VAL  86  -0.974  -9.056  -1.307
  692   HG21  VAL  86          3HG2      VAL  86  -0.865  -6.737  -2.156
  693   HG22  VAL  86          1HG2      VAL  86  -1.141  -7.220  -3.835
  694   HG23  VAL  86          2HG2      VAL  86  -2.202  -6.022  -3.057
  695    HA   PRO  87           HA       PRO  87  -7.162  -6.161  -3.577
  696    HB2  PRO  87           1HB      PRO  87  -9.117  -6.982  -1.893
  697    HB3  PRO  87           2HB      PRO  87  -8.615  -7.963  -3.304
  698    HG2  PRO  87           1HG      PRO  87  -7.719  -8.266  -0.414
  699    HG3  PRO  87           2HG      PRO  87  -8.327  -9.538  -1.521
  700    HD2  PRO  87           1HD      PRO  87  -5.643  -9.050  -1.141
  701    HD3  PRO  87           2HD      PRO  87  -6.312  -9.616  -2.702
  702    HA   PRO  88           HA       PRO  88  -6.781  -3.248  -0.083
  703    HB2  PRO  88           1HB      PRO  88  -8.585  -1.354  -0.808
  704    HB3  PRO  88           2HB      PRO  88  -7.090  -1.635  -1.750
  705    HG2  PRO  88           1HG      PRO  88  -9.868  -2.731  -2.303
  706    HG3  PRO  88           2HG      PRO  88  -8.773  -1.877  -3.439
  707    HD2  PRO  88           1HD      PRO  88  -8.919  -4.616  -3.284
  708    HD3  PRO  88           2HD      PRO  88  -7.395  -3.762  -3.675
  709    HA   PRO  89           HA       PRO  89 -10.097  -4.181   2.846
  710    HB2  PRO  89           1HB      PRO  89 -10.458  -1.190   3.148
  711    HB3  PRO  89           2HB      PRO  89 -10.364  -2.451   4.416
  712    HG2  PRO  89           1HG      PRO  89  -8.199  -0.921   3.866
  713    HG3  PRO  89           2HG      PRO  89  -7.997  -2.688   4.093
  714    HD2  PRO  89           1HD      PRO  89  -8.186  -1.138   1.496
  715    HD3  PRO  89           2HD      PRO  89  -7.049  -2.443   1.951
  716    H    SER  90           H        SER  90 -12.177  -4.761   2.478
  717    HA   SER  90           HA       SER  90 -14.186  -3.208   1.092
  718    HB2  SER  90           1HB      SER  90 -12.557  -3.881  -0.763
  719    HB3  SER  90           2HB      SER  90 -13.017  -5.557  -0.440
  720    HG   SER  90           HG       SER  90 -14.256  -4.542  -2.140
  721    H    GLY  91           H        GLY  91 -15.966  -4.942   0.315
  722    HA2  GLY  91           1HA      GLY  91 -17.333  -6.798   0.824
  723    HA3  GLY  91           2HA      GLY  91 -16.279  -7.210   2.189
  724    HA   PRO  92           HA       PRO  92 -20.344  -5.672   3.821
  725    HB2  PRO  92           1HB      PRO  92 -19.428  -7.547   6.008
  726    HB3  PRO  92           2HB      PRO  92 -21.079  -7.290   5.362
  727    HG2  PRO  92           1HG      PRO  92 -19.649  -9.446   4.578
  728    HG3  PRO  92           2HG      PRO  92 -20.556  -8.493   3.355
  729    HD2  PRO  92           1HD      PRO  92 -17.604  -8.354   4.038
  730    HD3  PRO  92           2HD      PRO  92 -18.391  -8.418   2.431
  731    H    SER  93           H        SER  93 -20.868  -4.295   5.561
  732    HA   SER  93           HA       SER  93 -18.772  -2.561   6.428
  733    HB2  SER  93           1HB      SER  93 -21.698  -2.584   7.243
  734    HB3  SER  93           2HB      SER  93 -20.582  -1.209   7.312
  735    HG   SER  93           HG       SER  93 -21.936  -1.133   5.448
  736    H    SER  94           H        SER  94 -18.767  -5.304   7.701
  737    HA   SER  94           HA       SER  94 -18.131  -6.305   9.633
  738    HB2  SER  94           1HB      SER  94 -17.611  -3.503  10.677
  739    HB3  SER  94           2HB      SER  94 -16.976  -5.012  11.335
  740    HG   SER  94           HG       SER  94 -15.476  -3.951   9.928
  741    H    GLY  95           H        GLY  95 -21.022  -4.916   9.519
  742    HA2  GLY  95           1HA      GLY  95 -22.193  -6.413  11.617
  743    HA3  GLY  95           2HA      GLY  95 -21.984  -4.764  12.210
  Start of MODEL   15
    1    H1   GLY  -3           1H       GLY  -3  15.850  -4.247   8.791
    2    H2   GLY  -3           2H       GLY  -3  16.832  -5.376   8.128
    3    H3   GLY  -3           3H       GLY  -3  17.253  -3.792   8.073
    4    HA2  GLY  -3           1HA      GLY  -3  15.409  -3.269   6.630
    5    HA3  GLY  -3           2HA      GLY  -3  16.457  -4.511   5.918
    6    H    SER  -2           H        SER  -2  14.618  -5.149   4.623
    7    HA   SER  -2           HA       SER  -2  13.093  -7.362   5.724
    8    HB2  SER  -2           1HB      SER  -2  11.676  -4.790   4.929
    9    HB3  SER  -2           2HB      SER  -2  10.883  -6.368   4.848
   10    HG   SER  -2           HG       SER  -2  12.172  -5.496   7.217
   11    H    SER  -1           H        SER  -1  12.288  -8.724   4.068
   12    HA   SER  -1           HA       SER  -1  13.303  -8.136   1.315
   13    HB2  SER  -1           1HB      SER  -1  13.890 -10.540   1.275
   14    HB3  SER  -1           2HB      SER  -1  14.735  -9.640   2.540
   15    HG   SER  -1           HG       SER  -1  13.889 -11.657   3.305
   16    H    GLY   0           H        GLY   0  10.408  -8.264   2.720
   17    HA2  GLY   0           1HA      GLY   0   8.985 -10.145   0.933
   18    HA3  GLY   0           2HA      GLY   0   8.295  -9.130   2.212
   19    H    SER   1           H        SER   1   6.607  -8.517   0.849
   20    HA   SER   1           HA       SER   1   6.917  -7.421  -1.757
   21    HB2  SER   1           1HB      SER   1   4.568  -7.151   0.148
   22    HB3  SER   1           2HB      SER   1   4.534  -6.974  -1.615
   23    HG   SER   1           HG       SER   1   3.844  -9.074  -0.939
   24    H    SER   2           H        SER   2   7.922  -5.834   0.954
   25    HA   SER   2           HA       SER   2   6.798  -3.285   0.957
   26    HB2  SER   2           1HB      SER   2   9.702  -3.943   1.535
   27    HB3  SER   2           2HB      SER   2   8.730  -2.651   2.253
   28    HG   SER   2           HG       SER   2   7.515  -4.230   3.353
   29    H    GLY   3           H        GLY   3   8.717  -4.498  -1.610
   30    HA2  GLY   3           1HA      GLY   3  10.090  -2.137  -2.468
   31    HA3  GLY   3           2HA      GLY   3   9.639  -3.521  -3.490
   32    H    ILE   4           H        ILE   4   6.680  -3.005  -2.763
   33    HA   ILE   4           HA       ILE   4   6.115  -1.023  -4.835
   34    HB   ILE   4           HB       ILE   4   4.706  -3.035  -4.396
   35   HG12  ILE   4          1HG1      ILE   4   2.515  -1.980  -4.636
   36   HG13  ILE   4          2HG1      ILE   4   3.165  -0.407  -4.183
   37   HG21  ILE   4          1HG2      ILE   4   4.742  -2.833  -1.864
   38   HG22  ILE   4          2HG2      ILE   4   3.597  -1.496  -2.010
   39   HG23  ILE   4          3HG2      ILE   4   3.145  -3.119  -2.567
   40   HD11  ILE   4          3HD1      ILE   4   2.818  -0.687  -6.613
   41   HD12  ILE   4          1HD1      ILE   4   4.524  -0.383  -6.246
   42   HD13  ILE   4          2HD1      ILE   4   3.967  -2.035  -6.633
   43    H    LYS   5           H        LYS   5   6.334  -0.902  -1.335
   44    HA   LYS   5           HA       LYS   5   5.153   1.735  -1.000
   45    HB2  LYS   5           1HB      LYS   5   5.525  -0.229   0.683
   46    HB3  LYS   5           2HB      LYS   5   7.165   0.388   0.853
   47    HG2  LYS   5           1HG      LYS   5   4.638   1.970   1.412
   48    HG3  LYS   5           2HG      LYS   5   5.546   1.037   2.599
   49    HD2  LYS   5           1HD      LYS   5   7.602   2.489   2.037
   50    HD3  LYS   5           2HD      LYS   5   6.488   3.512   1.106
   51    HE2  LYS   5           1HE      LYS   5   6.353   4.568   3.151
   52    HE3  LYS   5           2HE      LYS   5   5.002   3.423   3.233
   53    HZ1  LYS   5           3HZ      LYS   5   6.159   3.237   5.264
   54    HZ2  LYS   5           1HZ      LYS   5   6.600   1.908   4.436
   55    HZ3  LYS   5           2HZ      LYS   5   7.643   3.167   4.553
   56    H    ASN   6           H        ASN   6   8.481   0.481  -1.347
   57    HA   ASN   6           HA       ASN   6   9.781   3.043  -1.466
   58    HB2  ASN   6           1HB      ASN   6  10.914   0.859  -1.018
   59    HB3  ASN   6           2HB      ASN   6  10.607   0.386  -2.692
   60   HD21  ASN   6          2HD2      ASN   6  12.451   0.611  -3.934
   61   HD22  ASN   6          1HD2      ASN   6  13.617   1.906  -3.740
   62    H    PHE   7           H        PHE   7   8.162   1.071  -3.987
   63    HA   PHE   7           HA       PHE   7   9.127   2.596  -6.223
   64    HB2  PHE   7           1HB      PHE   7   8.276   0.343  -6.490
   65    HB3  PHE   7           2HB      PHE   7   6.690   0.823  -5.890
   66    HD1  PHE   7           2HD      PHE   7   9.084   1.249  -8.723
   67    HD2  PHE   7           1HD      PHE   7   5.056   1.847  -7.311
   68    HE1  PHE   7           2HE      PHE   7   8.361   1.845 -11.023
   69    HE2  PHE   7           1HE      PHE   7   4.342   2.447  -9.606
   70    HZ   PHE   7           HZ       PHE   7   5.987   2.443 -11.469
   71    H    LEU   8           H        LEU   8   6.056   2.874  -4.308
   72    HA   LEU   8           HA       LEU   8   5.078   5.141  -5.751
   73    HB2  LEU   8           1HB      LEU   8   3.728   3.773  -4.169
   74    HB3  LEU   8           2HB      LEU   8   4.698   4.380  -2.823
   75    HG   LEU   8           HG       LEU   8   3.871   6.648  -3.153
   76   HD11  LEU   8          1HD1      LEU   8   3.553   6.735  -5.600
   77   HD12  LEU   8          2HD1      LEU   8   2.229   5.553  -5.483
   78   HD13  LEU   8          3HD1      LEU   8   2.067   7.172  -4.765
   79   HD21  LEU   8          3HD2      LEU   8   1.509   6.278  -2.550
   80   HD22  LEU   8          1HD2      LEU   8   1.605   4.614  -3.167
   81   HD23  LEU   8          2HD2      LEU   8   2.558   5.098  -1.750
   82    H    TYR   9           H        TYR   9   7.199   4.951  -2.861
   83    HA   TYR   9           HA       TYR   9   7.515   7.738  -2.496
   84    HB2  TYR   9           1HB      TYR   9   8.108   5.913  -0.893
   85    HB3  TYR   9           2HB      TYR   9   9.504   5.519  -1.881
   86    HD1  TYR   9           1HD      TYR   9  11.458   7.050  -1.987
   87    HD2  TYR   9           2HD      TYR   9   8.046   7.904   0.508
   88    HE1  TYR   9           1HE      TYR   9  12.776   8.780  -0.782
   89    HE2  TYR   9           2HE      TYR   9   9.362   9.633   1.722
   90    HH   TYR   9           HH       TYR   9  12.777  10.367   0.887
   91    H    ALA  10           H        ALA  10   9.507   5.495  -4.476
   92    HA   ALA  10           HA       ALA  10  11.342   7.481  -5.436
   93    HB1  ALA  10           1HB      ALA  10  11.796   5.053  -5.443
   94    HB2  ALA  10           2HB      ALA  10  10.499   4.802  -6.634
   95    HB3  ALA  10           3HB      ALA  10  11.945   5.734  -7.073
   96    H    TRP  11           H        TRP  11   8.242   6.281  -6.823
   97    HA   TRP  11           HA       TRP  11   8.312   7.806  -9.236
   98    HB2  TRP  11           1HB      TRP  11   6.775   5.947  -8.837
   99    HB3  TRP  11           2HB      TRP  11   5.998   6.812  -7.528
  100    HD1  TRP  11           HD       TRP  11   6.087   6.647 -11.330
  101    HE1  TRP  11           1HE      TRP  11   4.126   7.996 -12.288
  102    HE3  TRP  11           3HE      TRP  11   4.387   8.805  -7.011
  103    HZ2  TRP  11           2HZ      TRP  11   2.239   9.958 -11.337
  104    HZ3  TRP  11           3HZ      TRP  11   2.469  10.370  -7.057
  105    HH2  TRP  11           HH       TRP  11   1.388  10.962  -9.217
  106    H    CYS  12           H        CYS  12   6.908   8.578  -6.042
  107    HA   CYS  12           HA       CYS  12   6.093  11.269  -6.580
  108    HB2  CYS  12           1HB      CYS  12   7.088   9.917  -4.033
  109    HB3  CYS  12           2HB      CYS  12   6.401  11.542  -4.085
  110    HG   CYS  12           HG       CYS  12   5.012   8.654  -4.827
  111    H    GLY  13           H        GLY  13   9.269  10.058  -5.403
  112    HA2  GLY  13           1HA      GLY  13  10.524  12.593  -5.146
  113    HA3  GLY  13           2HA      GLY  13  11.350  11.027  -5.310
  114    H    LYS  14           H        LYS  14  10.091  10.602  -8.040
  115    HA   LYS  14           HA       LYS  14  11.986  12.144  -9.683
  116    HB2  LYS  14           1HB      LYS  14   9.873  10.028 -10.256
  117    HB3  LYS  14           2HB      LYS  14  10.796  10.824 -11.536
  118    HG2  LYS  14           1HG      LYS  14  12.903  10.016 -10.654
  119    HG3  LYS  14           2HG      LYS  14  12.112   9.320  -9.234
  120    HD2  LYS  14           1HD      LYS  14  10.825   7.777 -10.695
  121    HD3  LYS  14           2HD      LYS  14  11.633   8.467 -12.124
  122    HE2  LYS  14           1HE      LYS  14  13.842   7.783 -11.181
  123    HE3  LYS  14           2HE      LYS  14  13.022   7.076  -9.783
  124    HZ1  LYS  14           3HZ      LYS  14  13.530   5.397 -11.456
  125    HZ2  LYS  14           1HZ      LYS  14  11.908   5.532 -11.305
  126    HZ3  LYS  14           2HZ      LYS  14  12.671   6.188 -12.596
  127    H    ARG  15           H        ARG  15   8.930  12.768  -8.451
  128    HA   ARG  15           HA       ARG  15   8.246  14.807 -10.528
  129    HB2  ARG  15           1HB      ARG  15   6.473  13.170  -8.676
  130    HB3  ARG  15           2HB      ARG  15   5.905  14.436  -9.778
  131    HG2  ARG  15           1HG      ARG  15   6.757  13.113 -11.715
  132    HG3  ARG  15           2HG      ARG  15   7.296  11.853 -10.623
  133    HD2  ARG  15           1HD      ARG  15   5.214  11.182 -11.585
  134    HD3  ARG  15           2HD      ARG  15   4.992  11.463  -9.863
  135    HE   ARG  15           HE       ARG  15   3.989  13.679 -10.442
  136   HH11  ARG  15          1HH1      ARG  15   3.891  11.229 -13.019
  137   HH12  ARG  15          2HH1      ARG  15   2.369  11.848 -13.626
  138   HH21  ARG  15          1HH2      ARG  15   2.063  14.389 -11.322
  139   HH22  ARG  15          2HH2      ARG  15   1.328  13.494 -12.630
  140    H    LYS  16           H        LYS  16   9.786  14.787  -7.719
  141    HA   LYS  16           HA       LYS  16  10.186  16.202  -6.011
  142    HB2  LYS  16           1HB      LYS  16   8.608  18.259  -7.603
  143    HB3  LYS  16           2HB      LYS  16   9.726  18.582  -6.279
  144    HG2  LYS  16           1HG      LYS  16  11.579  17.540  -7.599
  145    HG3  LYS  16           2HG      LYS  16  10.481  17.366  -8.973
  146    HD2  LYS  16           1HD      LYS  16  11.255  20.001  -7.649
  147    HD3  LYS  16           2HD      LYS  16  11.941  19.356  -9.148
  148    HE2  LYS  16           1HE      LYS  16   9.677  19.398 -10.198
  149    HE3  LYS  16           2HE      LYS  16   9.008  20.090  -8.715
  150    HZ1  LYS  16           3HZ      LYS  16   9.509  21.809 -10.341
  151    HZ2  LYS  16           1HZ      LYS  16  10.464  22.013  -9.032
  152    HZ3  LYS  16           2HZ      LYS  16  11.081  21.375 -10.407
  153    H    MET  17           H        MET  17   7.923  14.462  -5.767
  154    HA   MET  17           HA       MET  17   6.236  15.870  -3.721
  155    HB2  MET  17           1HB      MET  17   5.581  13.470  -5.484
  156    HB3  MET  17           2HB      MET  17   4.523  14.138  -4.242
  157    HG2  MET  17           1HG      MET  17   4.559  16.331  -5.491
  158    HG3  MET  17           2HG      MET  17   5.407  15.511  -6.798
  159    HE1  MET  17           3HE      MET  17   2.696  12.856  -7.950
  160    HE2  MET  17           1HE      MET  17   4.402  13.322  -8.006
  161    HE3  MET  17           2HE      MET  17   3.737  12.544  -6.554
  162    H    THR  18           H        THR  18   5.355  14.296  -2.105
  163    HA   THR  18           HA       THR  18   7.079  11.981  -1.409
  164    HB   THR  18           HB       THR  18   6.353  14.152   0.598
  165    HG1  THR  18           1HG      THR  18   8.563  14.619   0.530
  166   HG21  THR  18          3HG2      THR  18   7.952  12.928   2.060
  167   HG22  THR  18          1HG2      THR  18   6.580  11.908   1.622
  168   HG23  THR  18          2HG2      THR  18   8.145  11.683   0.808
  169    HA   PRO  19           HA       PRO  19   2.805  10.656  -0.601
  170    HB2  PRO  19           1HB      PRO  19   3.201   8.045   0.040
  171    HB3  PRO  19           2HB      PRO  19   3.416   8.656  -1.630
  172    HG2  PRO  19           1HG      PRO  19   5.553   8.173   0.466
  173    HG3  PRO  19           2HG      PRO  19   5.551   7.670  -1.252
  174    HD2  PRO  19           1HD      PRO  19   6.809   9.944  -0.322
  175    HD3  PRO  19           2HD      PRO  19   6.112   9.833  -1.961
  176    H    ALA  20           H        ALA  20   1.514  10.506   1.195
  177    HA   ALA  20           HA       ALA  20   2.836  10.597   3.887
  178    HB1  ALA  20           1HB      ALA  20   2.023  12.795   3.134
  179    HB2  ALA  20           2HB      ALA  20   0.406  12.113   2.840
  180    HB3  ALA  20           3HB      ALA  20   1.053  12.190   4.494
  181    H    TYR  21           H        TYR  21   2.328   8.974   5.154
  182    HA   TYR  21           HA       TYR  21  -0.023   7.259   4.566
  183    HB2  TYR  21           1HB      TYR  21   2.543   6.725   6.106
  184    HB3  TYR  21           2HB      TYR  21   1.232   5.576   5.924
  185    HD1  TYR  21           1HD      TYR  21   3.883   7.423   4.061
  186    HD2  TYR  21           2HD      TYR  21   0.978   4.239   3.951
  187    HE1  TYR  21           1HE      TYR  21   4.861   6.602   1.932
  188    HE2  TYR  21           2HE      TYR  21   1.965   3.404   1.831
  189    HH   TYR  21           HH       TYR  21   3.528   3.791   0.167
  190    H    GLU  22           H        GLU  22  -1.275   6.354   6.259
  191    HA   GLU  22           HA       GLU  22  -0.981   7.342   9.026
  192    HB2  GLU  22           1HB      GLU  22  -2.514   8.939   7.852
  193    HB3  GLU  22           2HB      GLU  22  -3.610   7.598   7.498
  194    HG2  GLU  22           1HG      GLU  22  -4.000   7.235   9.888
  195    HG3  GLU  22           2HG      GLU  22  -2.746   8.406  10.312
  196    H    ILE  23           H        ILE  23  -1.901   5.887  10.570
  197    HA   ILE  23           HA       ILE  23  -2.673   3.188   9.545
  198    HB   ILE  23           HB       ILE  23  -0.364   3.874  11.404
  199   HG12  ILE  23          1HG1      ILE  23  -0.496   2.481   8.693
  200   HG13  ILE  23          2HG1      ILE  23   0.164   4.086   9.014
  201   HG21  ILE  23          1HG2      ILE  23  -1.520   1.891  12.327
  202   HG22  ILE  23          2HG2      ILE  23  -1.427   1.091  10.737
  203   HG23  ILE  23          3HG2      ILE  23   0.036   1.462  11.674
  204   HD11  ILE  23          3HD1      ILE  23   2.022   2.685   8.759
  205   HD12  ILE  23          1HD1      ILE  23   1.901   2.975  10.503
  206   HD13  ILE  23          2HD1      ILE  23   1.352   1.425   9.803
  207    H    ARG  24           H        ARG  24  -3.855   1.917  10.883
  208    HA   ARG  24           HA       ARG  24  -4.815   2.953  13.514
  209    HB2  ARG  24           1HB      ARG  24  -6.450   3.525  11.695
  210    HB3  ARG  24           2HB      ARG  24  -6.541   1.808  11.283
  211    HG2  ARG  24           1HG      ARG  24  -7.446   1.303  13.532
  212    HG3  ARG  24           2HG      ARG  24  -7.350   3.024  13.960
  213    HD2  ARG  24           1HD      ARG  24  -8.964   3.560  12.179
  214    HD3  ARG  24           2HD      ARG  24  -8.988   1.857  11.667
  215    HE   ARG  24           HE       ARG  24  -9.635   1.979  14.431
  216   HH11  ARG  24          1HH1      ARG  24 -11.138   2.833  11.344
  217   HH12  ARG  24          2HH1      ARG  24 -12.748   2.627  11.967
  218   HH21  ARG  24          1HH2      ARG  24 -11.735   1.737  15.172
  219   HH22  ARG  24          2HH2      ARG  24 -13.077   2.016  14.105
  220    H    ALA  25           H        ALA  25  -5.126   1.355  15.025
  221    HA   ALA  25           HA       ALA  25  -4.358  -1.447  14.361
  222    HB1  ALA  25           1HB      ALA  25  -3.224  -0.351  16.265
  223    HB2  ALA  25           2HB      ALA  25  -4.797  -0.080  17.050
  224    HB3  ALA  25           3HB      ALA  25  -4.205  -1.734  16.793
  225    H    VAL  26           H        VAL  26  -5.758  -3.134  14.509
  226    HA   VAL  26           HA       VAL  26  -8.556  -2.814  15.426
  227    HB   VAL  26           HB       VAL  26  -9.491  -3.672  13.326
  228   HG11  VAL  26          1HG1      VAL  26  -9.445  -1.216  13.742
  229   HG12  VAL  26          2HG1      VAL  26  -7.961  -1.108  12.762
  230   HG13  VAL  26          3HG1      VAL  26  -9.479  -1.657  12.031
  231   HG21  VAL  26          3HG2      VAL  26  -8.223  -3.683  11.230
  232   HG22  VAL  26          1HG2      VAL  26  -6.732  -3.245  12.091
  233   HG23  VAL  26          2HG2      VAL  26  -7.519  -4.811  12.382
  234    H    GLY  27           H        GLY  27  -9.716  -5.101  14.852
  235    HA2  GLY  27           1HA      GLY  27  -9.604  -7.461  14.822
  236    HA3  GLY  27           2HA      GLY  27  -7.864  -7.403  15.141
  237    H    ASN  28           H        ASN  28  -7.842  -8.831  16.820
  238    HA   ASN  28           HA       ASN  28  -9.551  -8.299  19.227
  239    HB2  ASN  28           1HB      ASN  28  -8.483 -10.909  18.086
  240    HB3  ASN  28           2HB      ASN  28  -9.400 -10.755  19.585
  241   HD21  ASN  28          2HD2      ASN  28  -9.770 -11.600  16.394
  242   HD22  ASN  28          1HD2      ASN  28 -11.472 -11.212  16.220
  243    H    LYS  29           H        LYS  29  -8.670  -9.032  21.302
  244    HA   LYS  29           HA       LYS  29  -6.098  -7.956  21.877
  245    HB2  LYS  29           1HB      LYS  29  -7.997  -8.068  23.432
  246    HB3  LYS  29           2HB      LYS  29  -7.898  -9.835  23.479
  247    HG2  LYS  29           1HG      LYS  29  -5.704  -9.734  24.556
  248    HG3  LYS  29           2HG      LYS  29  -5.648  -7.974  24.347
  249    HD2  LYS  29           1HD      LYS  29  -7.618  -7.739  25.845
  250    HD3  LYS  29           2HD      LYS  29  -7.684  -9.505  26.035
  251    HE2  LYS  29           1HE      LYS  29  -5.392  -9.480  27.007
  252    HE3  LYS  29           2HE      LYS  29  -5.326  -7.723  26.814
  253    HZ1  LYS  29           3HZ      LYS  29  -5.964  -8.343  29.067
  254    HZ2  LYS  29           1HZ      LYS  29  -7.202  -7.550  28.355
  255    HZ3  LYS  29           2HZ      LYS  29  -7.263  -9.176  28.534
  256    H    ASN  30           H        ASN  30  -7.076 -11.319  21.352
  257    HA   ASN  30           HA       ASN  30  -4.441 -12.436  21.914
  258    HB2  ASN  30           1HB      ASN  30  -5.423 -14.531  21.387
  259    HB3  ASN  30           2HB      ASN  30  -6.577 -13.626  22.363
  260   HD21  ASN  30          2HD2      ASN  30  -6.911 -15.921  20.353
  261   HD22  ASN  30          1HD2      ASN  30  -8.130 -15.312  19.248
  262    H    ARG  31           H        ARG  31  -6.054 -11.285  19.081
  263    HA   ARG  31           HA       ARG  31  -3.669 -11.741  17.385
  264    HB2  ARG  31           1HB      ARG  31  -5.164 -13.698  17.085
  265    HB3  ARG  31           2HB      ARG  31  -6.457 -12.625  16.535
  266    HG2  ARG  31           1HG      ARG  31  -5.022 -11.877  14.640
  267    HG3  ARG  31           2HG      ARG  31  -3.708 -12.907  15.217
  268    HD2  ARG  31           1HD      ARG  31  -6.454 -13.873  14.301
  269    HD3  ARG  31           2HD      ARG  31  -5.002 -13.892  13.309
  270    HE   ARG  31           HE       ARG  31  -5.738 -15.755  15.423
  271   HH11  ARG  31          1HH1      ARG  31  -2.938 -14.547  13.621
  272   HH12  ARG  31          2HH1      ARG  31  -1.997 -15.966  13.965
  273   HH21  ARG  31          1HH2      ARG  31  -4.463 -17.541  15.838
  274   HH22  ARG  31          2HH2      ARG  31  -2.849 -17.632  15.203
  275    H    GLN  32           H        GLN  32  -3.273  -9.592  17.507
  276    HA   GLN  32           HA       GLN  32  -5.258  -7.576  16.731
  277    HB2  GLN  32           1HB      GLN  32  -3.611  -7.276  18.580
  278    HB3  GLN  32           2HB      GLN  32  -2.298  -7.281  17.395
  279    HG2  GLN  32           1HG      GLN  32  -3.203  -5.250  16.344
  280    HG3  GLN  32           2HG      GLN  32  -4.612  -5.282  17.410
  281   HE21  GLN  32          2HE2      GLN  32  -2.054  -3.415  16.965
  282   HE22  GLN  32          1HE2      GLN  32  -1.621  -3.075  18.634
  283    H    LYS  33           H        LYS  33  -5.029  -6.135  15.005
  284    HA   LYS  33           HA       LYS  33  -3.323  -6.849  12.676
  285    HB2  LYS  33           1HB      LYS  33  -6.366  -6.682  12.790
  286    HB3  LYS  33           2HB      LYS  33  -5.461  -6.524  11.284
  287    HG2  LYS  33           1HG      LYS  33  -4.493  -8.799  11.652
  288    HG3  LYS  33           2HG      LYS  33  -5.486  -8.962  13.115
  289    HD2  LYS  33           1HD      LYS  33  -7.539  -8.668  11.755
  290    HD3  LYS  33           2HD      LYS  33  -6.544  -8.516  10.289
  291    HE2  LYS  33           1HE      LYS  33  -5.624 -10.796  10.685
  292    HE3  LYS  33           2HE      LYS  33  -6.621 -10.947  12.140
  293    HZ1  LYS  33           3HZ      LYS  33  -7.672 -12.010  10.229
  294    HZ2  LYS  33           1HZ      LYS  33  -8.595 -10.758  10.726
  295    HZ3  LYS  33           2HZ      LYS  33  -7.674 -10.615   9.382
  296    H    PHE  34           H        PHE  34  -3.505  -5.135  10.970
  297    HA   PHE  34           HA       PHE  34  -4.005  -2.410  12.064
  298    HB2  PHE  34           1HB      PHE  34  -1.463  -3.388  10.709
  299    HB3  PHE  34           2HB      PHE  34  -1.859  -1.695  10.974
  300    HD1  PHE  34           1HD      PHE  34  -1.903  -0.710  13.241
  301    HD2  PHE  34           2HD      PHE  34  -0.778  -4.818  12.592
  302    HE1  PHE  34           1HE      PHE  34  -0.886  -0.795  15.511
  303    HE2  PHE  34           2HE      PHE  34   0.266  -4.893  14.845
  304    HZ   PHE  34           HZ       PHE  34   0.230  -2.874  16.297
  305    H    MET  35           H        MET  35  -4.579  -0.892  10.654
  306    HA   MET  35           HA       MET  35  -4.959  -1.573   7.765
  307    HB2  MET  35           1HB      MET  35  -6.662   0.380   9.357
  308    HB3  MET  35           2HB      MET  35  -6.892  -0.167   7.695
  309    HG2  MET  35           1HG      MET  35  -7.196  -2.535   8.688
  310    HG3  MET  35           2HG      MET  35  -7.240  -1.739  10.259
  311    HE1  MET  35           3HE      MET  35 -10.456  -1.507   6.959
  312    HE2  MET  35           1HE      MET  35  -8.808  -0.917   6.673
  313    HE3  MET  35           2HE      MET  35  -9.092  -2.640   7.015
  314    H    CYS  36           H        CYS  36  -4.621   0.197   6.314
  315    HA   CYS  36           HA       CYS  36  -3.210   2.572   7.361
  316    HB2  CYS  36           1HB      CYS  36  -1.514   0.778   7.061
  317    HB3  CYS  36           2HB      CYS  36  -2.009   0.613   5.361
  318    HG   CYS  36           HG       CYS  36  -1.067   3.463   6.798
  319    H    GLU  37           H        GLU  37  -3.156   4.297   6.041
  320    HA   GLU  37           HA       GLU  37  -4.587   4.232   3.432
  321    HB2  GLU  37           1HB      GLU  37  -4.788   6.364   5.599
  322    HB3  GLU  37           2HB      GLU  37  -5.401   6.516   3.945
  323    HG2  GLU  37           1HG      GLU  37  -6.954   4.642   4.322
  324    HG3  GLU  37           2HG      GLU  37  -6.336   4.436   5.964
  325    H    VAL  38           H        VAL  38  -3.600   5.509   1.839
  326    HA   VAL  38           HA       VAL  38  -1.367   7.304   2.640
  327    HB   VAL  38           HB       VAL  38  -0.402   5.130   1.899
  328   HG11  VAL  38          1HG1      VAL  38  -2.061   4.569   0.124
  329   HG12  VAL  38          2HG1      VAL  38  -1.395   5.884  -0.872
  330   HG13  VAL  38          3HG1      VAL  38  -0.380   4.503  -0.435
  331   HG21  VAL  38          3HG2      VAL  38   1.302   6.101   0.409
  332   HG22  VAL  38          1HG2      VAL  38   0.279   7.498   0.086
  333   HG23  VAL  38          2HG2      VAL  38   0.914   7.223   1.724
  334    H    ARG  39           H        ARG  39  -1.084   9.114   1.496
  335    HA   ARG  39           HA       ARG  39  -2.855   9.753  -0.824
  336    HB2  ARG  39           1HB      ARG  39  -2.508  11.341   1.759
  337    HB3  ARG  39           2HB      ARG  39  -3.230  12.006   0.290
  338    HG2  ARG  39           1HG      ARG  39  -5.030  10.355   0.348
  339    HG3  ARG  39           2HG      ARG  39  -4.317   9.575   1.770
  340    HD2  ARG  39           1HD      ARG  39  -4.625  11.653   3.087
  341    HD3  ARG  39           2HD      ARG  39  -5.311  12.449   1.669
  342    HE   ARG  39           HE       ARG  39  -7.321  11.410   2.044
  343   HH11  ARG  39          1HH1      ARG  39  -4.951   9.609   4.025
  344   HH12  ARG  39          2HH1      ARG  39  -6.248   8.592   4.662
  345   HH21  ARG  39          1HH2      ARG  39  -8.834  10.001   3.033
  346   HH22  ARG  39          2HH2      ARG  39  -8.216   8.785   4.149
  347    H    VAL  40           H        VAL  40  -2.141  11.617  -2.017
  348    HA   VAL  40           HA       VAL  40   0.659  12.547  -1.666
  349    HB   VAL  40           HB       VAL  40  -0.425  11.523  -4.324
  350   HG11  VAL  40          1HG1      VAL  40   1.134  13.396  -4.638
  351   HG12  VAL  40          2HG1      VAL  40   2.325  12.617  -3.572
  352   HG13  VAL  40          3HG1      VAL  40   1.899  11.890  -5.137
  353   HG21  VAL  40          3HG2      VAL  40   1.341   9.773  -4.188
  354   HG22  VAL  40          1HG2      VAL  40   1.752  10.317  -2.553
  355   HG23  VAL  40          2HG2      VAL  40   0.164   9.591  -2.886
  356    H    GLU  41           H        GLU  41   0.867  14.692  -2.140
  357    HA   GLU  41           HA       GLU  41  -1.424  16.336  -2.197
  358    HB2  GLU  41           1HB      GLU  41   0.804  16.950  -1.297
  359    HB3  GLU  41           2HB      GLU  41   1.438  17.064  -2.945
  360    HG2  GLU  41           1HG      GLU  41  -0.153  18.894  -3.441
  361    HG3  GLU  41           2HG      GLU  41  -0.879  18.718  -1.840
  362    H    GLY  42           H        GLY  42  -2.663  17.181  -3.758
  363    HA2  GLY  42           1HA      GLY  42  -3.219  18.069  -5.866
  364    HA3  GLY  42           2HA      GLY  42  -1.790  17.301  -6.595
  365    H    PHE  43           H        PHE  43  -3.255  14.911  -4.792
  366    HA   PHE  43           HA       PHE  43  -5.057  14.026  -7.018
  367    HB2  PHE  43           1HB      PHE  43  -3.301  12.358  -5.184
  368    HB3  PHE  43           2HB      PHE  43  -4.420  11.729  -6.383
  369    HD1  PHE  43           1HD      PHE  43  -3.946  11.947  -8.822
  370    HD2  PHE  43           2HD      PHE  43  -1.161  13.372  -5.856
  371    HE1  PHE  43           1HE      PHE  43  -2.185  12.123 -10.557
  372    HE2  PHE  43           2HE      PHE  43   0.587  13.563  -7.592
  373    HZ   PHE  43           HZ       PHE  43   0.085  12.934  -9.953
  374    H    ASN  44           H        ASN  44  -7.076  13.414  -6.512
  375    HA   ASN  44           HA       ASN  44  -8.061  14.034  -3.832
  376    HB2  ASN  44           1HB      ASN  44 -10.264  13.859  -4.832
  377    HB3  ASN  44           2HB      ASN  44  -9.207  14.860  -5.814
  378   HD21  ASN  44          2HD2      ASN  44  -9.143  14.382  -8.015
  379   HD22  ASN  44          1HD2      ASN  44  -9.706  12.871  -8.700
  380    H    TYR  45           H        TYR  45  -6.990  11.134  -5.256
  381    HA   TYR  45           HA       TYR  45  -8.808   9.324  -3.853
  382    HB2  TYR  45           1HB      TYR  45  -7.833   8.919  -6.116
  383    HB3  TYR  45           2HB      TYR  45  -6.244   8.749  -5.368
  384    HD1  TYR  45           1HD      TYR  45  -9.720   7.359  -5.389
  385    HD2  TYR  45           2HD      TYR  45  -5.561   6.594  -4.550
  386    HE1  TYR  45           1HE      TYR  45 -10.249   4.968  -4.950
  387    HE2  TYR  45           2HE      TYR  45  -6.086   4.205  -4.106
  388    HH   TYR  45           HH       TYR  45  -7.801   2.638  -3.785
  389    H    ALA  46           H        ALA  46  -8.087   7.659  -2.392
  390    HA   ALA  46           HA       ALA  46  -5.527   8.072  -0.964
  391    HB1  ALA  46           1HB      ALA  46  -7.267   9.192   0.402
  392    HB2  ALA  46           2HB      ALA  46  -8.214   7.690   0.435
  393    HB3  ALA  46           3HB      ALA  46  -6.619   7.750   1.213
  394    H    GLY  47           H        GLY  47  -4.436   6.232  -1.094
  395    HA2  GLY  47           1HA      GLY  47  -5.699   3.716  -1.950
  396    HA3  GLY  47           2HA      GLY  47  -3.965   3.991  -1.685
  397    H    MET  48           H        MET  48  -6.013   1.923  -0.728
  398    HA   MET  48           HA       MET  48  -5.546   2.174   2.231
  399    HB2  MET  48           1HB      MET  48  -8.028   1.148   0.799
  400    HB3  MET  48           2HB      MET  48  -7.757   1.166   2.545
  401    HG2  MET  48           1HG      MET  48  -7.488   3.687   2.393
  402    HG3  MET  48           2HG      MET  48  -7.956   3.573   0.703
  403    HE1  MET  48           3HE      MET  48 -10.751   2.874   4.329
  404    HE2  MET  48           1HE      MET  48  -9.410   1.764   3.998
  405    HE3  MET  48           2HE      MET  48  -9.079   3.462   4.418
  406    H    GLY  49           H        GLY  49  -5.006   0.440   3.391
  407    HA2  GLY  49           1HA      GLY  49  -4.960  -2.294   2.206
  408    HA3  GLY  49           2HA      GLY  49  -3.439  -1.571   2.728
  409    H    ASN  50           H        ASN  50  -4.343  -3.948   3.799
  410    HA   ASN  50           HA       ASN  50  -4.119  -3.286   6.587
  411    HB2  ASN  50           1HB      ASN  50  -6.112  -4.379   7.425
  412    HB3  ASN  50           2HB      ASN  50  -6.580  -3.080   6.341
  413   HD21  ASN  50          2HD2      ASN  50  -7.660  -3.619   4.345
  414   HD22  ASN  50          1HD2      ASN  50  -8.213  -5.255   4.035
  415    H    SER  51           H        SER  51  -3.609  -5.092   7.956
  416    HA   SER  51           HA       SER  51  -3.353  -7.794   7.041
  417    HB2  SER  51           1HB      SER  51  -1.511  -6.652   5.669
  418    HB3  SER  51           2HB      SER  51  -0.681  -6.363   7.204
  419    HG   SER  51           HG       SER  51  -0.154  -8.397   6.023
  420    H    THR  52           H        THR  52  -1.333  -8.766   8.612
  421    HA   THR  52           HA       THR  52  -2.281  -8.461  11.368
  422    HB   THR  52           HB       THR  52  -0.495 -10.118  11.858
  423    HG1  THR  52           1HG      THR  52   0.627 -10.957  10.030
  424   HG21  THR  52          3HG2      THR  52  -1.463 -11.990  10.638
  425   HG22  THR  52          1HG2      THR  52  -2.752 -10.876  11.120
  426   HG23  THR  52          2HG2      THR  52  -2.182 -10.900   9.435
  427    H    ASN  53           H        ASN  53  -0.038  -6.739   9.504
  428    HA   ASN  53           HA       ASN  53   1.269  -5.541  11.864
  429    HB2  ASN  53           1HB      ASN  53   3.488  -6.059  11.085
  430    HB3  ASN  53           2HB      ASN  53   2.588  -7.561  11.258
  431   HD21  ASN  53          2HD2      ASN  53   1.972  -8.743   9.285
  432   HD22  ASN  53          1HD2      ASN  53   2.765  -8.336   7.761
  433    H    LYS  54           H        LYS  54   2.496  -3.637  11.404
  434    HA   LYS  54           HA       LYS  54   1.095  -1.824   9.712
  435    HB2  LYS  54           1HB      LYS  54   3.773  -1.589  11.157
  436    HB3  LYS  54           2HB      LYS  54   2.919  -0.243  10.404
  437    HG2  LYS  54           1HG      LYS  54   0.955  -0.680  11.908
  438    HG3  LYS  54           2HG      LYS  54   1.896  -1.938  12.728
  439    HD2  LYS  54           1HD      LYS  54   3.631  -0.259  13.318
  440    HD3  LYS  54           2HD      LYS  54   2.675   1.008  12.516
  441    HE2  LYS  54           1HE      LYS  54   0.794   0.582  14.079
  442    HE3  LYS  54           2HE      LYS  54   1.728  -0.698  14.866
  443    HZ1  LYS  54           3HZ      LYS  54   1.887   1.390  16.090
  444    HZ2  LYS  54           1HZ      LYS  54   3.361   0.984  15.521
  445    HZ3  LYS  54           2HZ      LYS  54   2.501   2.171  14.794
  446    H    LYS  55           H        LYS  55   4.066  -3.651   9.028
  447    HA   LYS  55           HA       LYS  55   4.914  -1.975   6.807
  448    HB2  LYS  55           1HB      LYS  55   5.620  -4.851   7.527
  449    HB3  LYS  55           2HB      LYS  55   6.399  -3.884   6.273
  450    HG2  LYS  55           1HG      LYS  55   7.050  -2.199   8.029
  451    HG3  LYS  55           2HG      LYS  55   6.401  -3.281   9.267
  452    HD2  LYS  55           1HD      LYS  55   8.689  -3.908   7.347
  453    HD3  LYS  55           2HD      LYS  55   8.843  -3.484   9.058
  454    HE2  LYS  55           1HE      LYS  55   7.513  -5.527   9.659
  455    HE3  LYS  55           2HE      LYS  55   7.451  -5.964   7.945
  456    HZ1  LYS  55           3HZ      LYS  55   9.257  -7.119   9.034
  457    HZ2  LYS  55           1HZ      LYS  55   9.899  -6.056   7.964
  458    HZ3  LYS  55           2HZ      LYS  55   9.923  -5.724   9.564
  459    H    ASP  56           H        ASP  56   3.249  -5.159   6.908
  460    HA   ASP  56           HA       ASP  56   2.770  -5.243   4.066
  461    HB2  ASP  56           1HB      ASP  56   1.568  -6.696   6.429
  462    HB3  ASP  56           2HB      ASP  56   0.975  -6.935   4.790
  463    H    ALA  57           H        ALA  57   0.891  -3.806   6.743
  464    HA   ALA  57           HA       ALA  57  -1.432  -3.277   5.111
  465    HB1  ALA  57           1HB      ALA  57  -1.429  -3.271   7.596
  466    HB2  ALA  57           2HB      ALA  57  -0.410  -1.812   7.597
  467    HB3  ALA  57           3HB      ALA  57  -2.061  -1.748   6.937
  468    H    GLN  58           H        GLN  58   1.520  -1.333   5.768
  469    HA   GLN  58           HA       GLN  58   0.783   0.930   4.135
  470    HB2  GLN  58           1HB      GLN  58   3.433  -0.193   5.110
  471    HB3  GLN  58           2HB      GLN  58   3.352   1.211   4.048
  472    HG2  GLN  58           1HG      GLN  58   2.144   2.517   5.654
  473    HG3  GLN  58           2HG      GLN  58   1.877   1.119   6.703
  474   HE21  GLN  58          2HE2      GLN  58   3.664   0.294   7.939
  475   HE22  GLN  58          1HE2      GLN  58   5.114   1.273   8.192
  476    H    SER  59           H        SER  59   2.565  -2.132   3.267
  477    HA   SER  59           HA       SER  59   3.070  -1.176   0.586
  478    HB2  SER  59           1HB      SER  59   3.732  -3.444   0.076
  479    HB3  SER  59           2HB      SER  59   4.431  -2.922   1.617
  480    HG   SER  59           HG       SER  59   3.553  -5.067   1.686
  481    H    ASN  60           H        ASN  60   0.305  -2.910   2.008
  482    HA   ASN  60           HA       ASN  60  -1.051  -3.295  -0.540
  483    HB2  ASN  60           1HB      ASN  60  -1.927  -3.363   2.357
  484    HB3  ASN  60           2HB      ASN  60  -3.112  -3.367   1.050
  485   HD21  ASN  60          2HD2      ASN  60  -0.629  -5.286   2.642
  486   HD22  ASN  60          1HD2      ASN  60  -1.067  -6.781   1.836
  487    H    ALA  61           H        ALA  61  -1.129  -0.645   1.912
  488    HA   ALA  61           HA       ALA  61  -3.082   0.959   0.554
  489    HB1  ALA  61           1HB      ALA  61  -2.382   1.263   2.929
  490    HB2  ALA  61           2HB      ALA  61  -0.785   1.818   2.377
  491    HB3  ALA  61           3HB      ALA  61  -2.235   2.763   1.994
  492    H    ALA  62           H        ALA  62   0.497   0.977   0.352
  493    HA   ALA  62           HA       ALA  62   0.754   2.973  -1.657
  494    HB1  ALA  62           1HB      ALA  62   2.590   2.070  -0.236
  495    HB2  ALA  62           2HB      ALA  62   2.498   0.530  -1.107
  496    HB3  ALA  62           3HB      ALA  62   2.987   2.003  -1.972
  497    H    ARG  63           H        ARG  63   0.539  -0.629  -2.054
  498    HA   ARG  63           HA       ARG  63   0.585  -0.635  -4.844
  499    HB2  ARG  63           1HB      ARG  63   0.762  -2.683  -3.438
  500    HB3  ARG  63           2HB      ARG  63  -0.926  -2.517  -2.978
  501    HG2  ARG  63           1HG      ARG  63  -0.667  -4.228  -4.692
  502    HG3  ARG  63           2HG      ARG  63  -1.650  -2.898  -5.282
  503    HD2  ARG  63           1HD      ARG  63   0.548  -2.009  -6.382
  504    HD3  ARG  63           2HD      ARG  63   1.213  -3.605  -6.051
  505    HE   ARG  63           HE       ARG  63  -0.829  -2.798  -8.006
  506   HH11  ARG  63          1HH1      ARG  63   0.485  -5.661  -6.380
  507   HH12  ARG  63          2HH1      ARG  63  -0.171  -6.734  -7.580
  508   HH21  ARG  63          1HH2      ARG  63  -1.572  -4.195  -9.509
  509   HH22  ARG  63          2HH2      ARG  63  -1.299  -5.907  -9.361
  510    H    ASP  64           H        ASP  64  -2.284  -0.152  -2.723
  511    HA   ASP  64           HA       ASP  64  -4.124  -0.070  -4.939
  512    HB2  ASP  64           1HB      ASP  64  -4.775  -0.638  -2.648
  513    HB3  ASP  64           2HB      ASP  64  -4.403   1.008  -2.125
  514    H    PHE  65           H        PHE  65  -2.182   2.509  -3.376
  515    HA   PHE  65           HA       PHE  65  -3.467   4.608  -4.946
  516    HB2  PHE  65           1HB      PHE  65  -2.268   4.927  -2.746
  517    HB3  PHE  65           2HB      PHE  65  -0.750   4.755  -3.613
  518    HD1  PHE  65           2HD      PHE  65  -0.136   6.473  -5.384
  519    HD2  PHE  65           1HD      PHE  65  -3.642   6.911  -2.921
  520    HE1  PHE  65           2HE      PHE  65  -0.337   8.854  -6.073
  521    HE2  PHE  65           1HE      PHE  65  -3.848   9.276  -3.634
  522    HZ   PHE  65           HZ       PHE  65  -2.205  10.240  -5.230
  523    H    VAL  66           H        VAL  66  -0.480   2.653  -5.337
  524    HA   VAL  66           HA       VAL  66   0.346   3.830  -7.829
  525    HB   VAL  66           HB       VAL  66   0.762   1.025  -6.728
  526   HG11  VAL  66          1HG1      VAL  66   1.027   0.805  -9.133
  527   HG12  VAL  66          2HG1      VAL  66   1.952   2.323  -9.218
  528   HG13  VAL  66          3HG1      VAL  66   2.642   0.895  -8.422
  529   HG21  VAL  66          3HG2      VAL  66   2.984   1.834  -6.183
  530   HG22  VAL  66          1HG2      VAL  66   2.671   3.388  -6.997
  531   HG23  VAL  66          2HG2      VAL  66   1.806   2.965  -5.510
  532    H    ASN  67           H        ASN  67  -1.843   1.085  -7.136
  533    HA   ASN  67           HA       ASN  67  -2.653   0.556  -9.813
  534    HB2  ASN  67           1HB      ASN  67  -4.174   0.276  -7.199
  535    HB3  ASN  67           2HB      ASN  67  -4.821  -0.231  -8.753
  536   HD21  ASN  67          2HD2      ASN  67  -4.528  -2.053  -6.656
  537   HD22  ASN  67          1HD2      ASN  67  -3.315  -3.220  -7.137
  538    H    TYR  68           H        TYR  68  -4.180   2.932  -7.474
  539    HA   TYR  68           HA       TYR  68  -5.973   4.092  -9.322
  540    HB2  TYR  68           1HB      TYR  68  -6.228   4.755  -7.128
  541    HB3  TYR  68           2HB      TYR  68  -4.532   5.094  -6.889
  542    HD1  TYR  68           2HD      TYR  68  -7.560   6.363  -8.711
  543    HD2  TYR  68           1HD      TYR  68  -3.658   7.270  -7.103
  544    HE1  TYR  68           2HE      TYR  68  -7.951   8.781  -9.131
  545    HE2  TYR  68           1HE      TYR  68  -4.042   9.683  -7.528
  546    HH   TYR  68           HH       TYR  68  -7.133  10.915  -8.898
  547    H    LEU  69           H        LEU  69  -2.496   4.955  -8.906
  548    HA   LEU  69           HA       LEU  69  -2.514   6.924 -10.995
  549    HB2  LEU  69           1HB      LEU  69  -0.228   5.238  -9.937
  550    HB3  LEU  69           2HB      LEU  69  -0.074   6.640 -10.993
  551    HG   LEU  69           HG       LEU  69  -1.287   6.815  -8.211
  552   HD11  LEU  69          1HD1      LEU  69   1.032   6.041  -8.056
  553   HD12  LEU  69          2HD1      LEU  69   1.561   7.334  -9.148
  554   HD13  LEU  69          3HD1      LEU  69   0.928   7.728  -7.542
  555   HD21  LEU  69          3HD2      LEU  69  -0.815   9.232  -8.472
  556   HD22  LEU  69          1HD2      LEU  69  -0.279   8.945 -10.138
  557   HD23  LEU  69          2HD2      LEU  69  -1.971   8.656  -9.674
  558    H    VAL  70           H        VAL  70  -2.441   3.429 -11.277
  559    HA   VAL  70           HA       VAL  70  -1.836   3.512 -14.164
  560    HB   VAL  70           HB       VAL  70  -2.878   1.242 -12.432
  561   HG11  VAL  70          1HG1      VAL  70  -3.578   0.836 -14.739
  562   HG12  VAL  70          2HG1      VAL  70  -1.926   1.163 -15.322
  563   HG13  VAL  70          3HG1      VAL  70  -2.267  -0.254 -14.302
  564   HG21  VAL  70          3HG2      VAL  70  -0.635   0.327 -12.586
  565   HG22  VAL  70          1HG2      VAL  70  -0.110   1.673 -13.619
  566   HG23  VAL  70          2HG2      VAL  70  -0.544   1.963 -11.927
  567    H    ARG  71           H        ARG  71  -4.749   3.246 -12.106
  568    HA   ARG  71           HA       ARG  71  -6.711   3.011 -14.154
  569    HB2  ARG  71           1HB      ARG  71  -6.986   4.478 -11.502
  570    HB3  ARG  71           2HB      ARG  71  -8.312   3.998 -12.546
  571    HG2  ARG  71           1HG      ARG  71  -7.900   1.642 -12.154
  572    HG3  ARG  71           2HG      ARG  71  -6.412   1.991 -11.288
  573    HD2  ARG  71           1HD      ARG  71  -7.990   3.420  -9.715
  574    HD3  ARG  71           2HD      ARG  71  -9.264   2.417 -10.398
  575    HE   ARG  71           HE       ARG  71  -7.650   0.469  -9.672
  576   HH11  ARG  71          1HH1      ARG  71  -8.358   3.344  -7.715
  577   HH12  ARG  71          2HH1      ARG  71  -7.907   2.538  -6.240
  578   HH21  ARG  71          1HH2      ARG  71  -7.165  -0.492  -7.682
  579   HH22  ARG  71          2HH2      ARG  71  -7.179   0.467  -6.222
  580    H    ILE  72           H        ILE  72  -5.018   5.902 -12.983
  581    HA   ILE  72           HA       ILE  72  -6.383   7.554 -15.079
  582    HB   ILE  72           HB       ILE  72  -5.743   9.506 -13.907
  583   HG12  ILE  72          1HG1      ILE  72  -4.403   7.872 -11.730
  584   HG13  ILE  72          2HG1      ILE  72  -3.498   8.623 -13.040
  585   HG21  ILE  72          1HG2      ILE  72  -7.786   8.237 -13.205
  586   HG22  ILE  72          2HG2      ILE  72  -6.851   7.525 -11.872
  587   HG23  ILE  72          3HG2      ILE  72  -7.130   9.275 -11.938
  588   HD11  ILE  72          3HD1      ILE  72  -3.451  10.028 -11.055
  589   HD12  ILE  72          1HD1      ILE  72  -4.332  10.849 -12.361
  590   HD13  ILE  72          2HD1      ILE  72  -5.217  10.100 -11.013
  591    H    ASN  73           H        ASN  73  -3.776   5.702 -15.184
  592    HA   ASN  73           HA       ASN  73  -2.024   5.516 -16.542
  593    HB2  ASN  73           1HB      ASN  73  -3.229   7.827 -18.110
  594    HB3  ASN  73           2HB      ASN  73  -2.073   6.645 -18.701
  595   HD21  ASN  73          2HD2      ASN  73  -5.393   7.332 -18.478
  596   HD22  ASN  73          1HD2      ASN  73  -5.978   5.723 -18.864
  597    H    GLU  74           H        GLU  74  -1.808   7.568 -14.295
  598    HA   GLU  74           HA       GLU  74   0.471   9.253 -15.114
  599    HB2  GLU  74           1HB      GLU  74  -1.057   8.789 -12.542
  600    HB3  GLU  74           2HB      GLU  74   0.467   9.656 -12.525
  601    HG2  GLU  74           1HG      GLU  74  -1.748  10.534 -14.399
  602    HG3  GLU  74           2HG      GLU  74  -1.735  10.994 -12.699
  603    H    VAL  75           H        VAL  75   0.029   6.030 -14.032
  604    HA   VAL  75           HA       VAL  75   2.999   5.640 -14.047
  605    HB   VAL  75           HB       VAL  75   0.983   4.262 -12.205
  606   HG11  VAL  75          1HG1      VAL  75   2.572   2.562 -13.022
  607   HG12  VAL  75          2HG1      VAL  75   3.944   3.655 -12.661
  608   HG13  VAL  75          3HG1      VAL  75   2.954   2.971 -11.355
  609   HG21  VAL  75          3HG2      VAL  75   2.254   5.101 -10.363
  610   HG22  VAL  75          1HG2      VAL  75   3.573   5.616 -11.418
  611   HG23  VAL  75          2HG2      VAL  75   2.042   6.503 -11.433
  612    H    LYS  76           H        LYS  76   3.606   4.079 -15.511
  613    HA   LYS  76           HA       LYS  76   1.539   2.580 -17.017
  614    HB2  LYS  76           1HB      LYS  76   4.586   2.560 -17.146
  615    HB3  LYS  76           2HB      LYS  76   3.524   1.531 -18.099
  616    HG2  LYS  76           1HG      LYS  76   2.457   3.577 -19.100
  617    HG3  LYS  76           2HG      LYS  76   3.613   4.579 -18.210
  618    HD2  LYS  76           1HD      LYS  76   4.383   4.277 -20.509
  619    HD3  LYS  76           2HD      LYS  76   5.494   3.465 -19.393
  620    HE2  LYS  76           1HE      LYS  76   4.312   1.293 -19.865
  621    HE3  LYS  76           2HE      LYS  76   3.279   2.121 -21.031
  622    HZ1  LYS  76           3HZ      LYS  76   5.233   0.900 -21.915
  623    HZ2  LYS  76           1HZ      LYS  76   5.184   2.476 -22.413
  624    HZ3  LYS  76           2HZ      LYS  76   6.235   1.999 -21.244
  625    H    SER  77           H        SER  77   0.925   0.499 -16.581
  626    HA   SER  77           HA       SER  77   1.523  -0.816 -14.142
  627    HB2  SER  77           1HB      SER  77   0.503  -2.798 -15.267
  628    HB3  SER  77           2HB      SER  77  -0.470  -1.322 -15.356
  629    HG   SER  77           HG       SER  77  -0.320  -2.441 -17.380
  630    H    GLU  78           H        GLU  78   3.110  -1.125 -17.314
  631    HA   GLU  78           HA       GLU  78   4.730  -3.363 -16.900
  632    HB2  GLU  78           1HB      GLU  78   5.438  -0.812 -18.408
  633    HB3  GLU  78           2HB      GLU  78   6.252  -2.371 -18.573
  634    HG2  GLU  78           1HG      GLU  78   4.057  -3.373 -19.318
  635    HG3  GLU  78           2HG      GLU  78   3.376  -1.742 -19.344
  636    H    GLU  79           H        GLU  79   5.113  -0.225 -15.368
  637    HA   GLU  79           HA       GLU  79   7.906  -0.749 -14.538
  638    HB2  GLU  79           1HB      GLU  79   5.973   1.530 -13.956
  639    HB3  GLU  79           2HB      GLU  79   7.640   1.460 -13.423
  640    HG2  GLU  79           1HG      GLU  79   6.715   1.528 -16.329
  641    HG3  GLU  79           2HG      GLU  79   7.342   2.892 -15.415
  642    H    VAL  80           H        VAL  80   4.776  -1.487 -13.323
  643    HA   VAL  80           HA       VAL  80   5.272  -0.860 -10.535
  644    HB   VAL  80           HB       VAL  80   3.014  -2.470 -11.785
  645   HG11  VAL  80          1HG1      VAL  80   3.181  -3.035  -9.406
  646   HG12  VAL  80          2HG1      VAL  80   3.311  -1.315  -8.984
  647   HG13  VAL  80          3HG1      VAL  80   1.800  -1.964  -9.657
  648   HG21  VAL  80          3HG2      VAL  80   1.705  -0.385 -11.478
  649   HG22  VAL  80          1HG2      VAL  80   3.164   0.446 -10.890
  650   HG23  VAL  80          2HG2      VAL  80   3.068  -0.119 -12.566
  651    HA   PRO  81           HA       PRO  81   7.177  -4.897  -9.677
  652    HB2  PRO  81           1HB      PRO  81   7.617  -4.647  -6.998
  653    HB3  PRO  81           2HB      PRO  81   8.603  -3.810  -8.235
  654    HG2  PRO  81           1HG      PRO  81   6.303  -2.693  -6.619
  655    HG3  PRO  81           2HG      PRO  81   7.892  -1.944  -6.955
  656    HD2  PRO  81           1HD      PRO  81   5.627  -1.349  -8.396
  657    HD3  PRO  81           2HD      PRO  81   7.250  -1.338  -9.135
  658    H    ALA  82           H        ALA  82   5.839  -6.551  -9.815
  659    HA   ALA  82           HA       ALA  82   3.908  -7.288  -7.768
  660    HB1  ALA  82           1HB      ALA  82   2.615  -5.587  -9.027
  661    HB2  ALA  82           2HB      ALA  82   2.978  -6.418 -10.552
  662    HB3  ALA  82           3HB      ALA  82   1.949  -7.198  -9.334
  663    H    VAL  83           H        VAL  83   2.825  -9.375  -8.339
  664    HA   VAL  83           HA       VAL  83   4.659 -11.274  -9.381
  665    HB   VAL  83           HB       VAL  83   1.950 -12.363  -9.312
  666   HG11  VAL  83          1HG1      VAL  83   4.074 -13.620  -9.033
  667   HG12  VAL  83          2HG1      VAL  83   4.373 -12.742  -7.514
  668   HG13  VAL  83          3HG1      VAL  83   2.987 -13.852  -7.648
  669   HG21  VAL  83          3HG2      VAL  83   1.427 -12.113  -6.950
  670   HG22  VAL  83          1HG2      VAL  83   2.749 -10.949  -6.742
  671   HG23  VAL  83          2HG2      VAL  83   1.346 -10.554  -7.774
  672    H    GLY  84           H        GLY  84   2.455  -9.312 -11.092
  673    HA2  GLY  84           1HA      GLY  84   3.162 -10.478 -13.636
  674    HA3  GLY  84           2HA      GLY  84   1.473 -10.763 -13.244
  675    H    ILE  85           H        ILE  85   2.218  -9.273 -15.436
  676    HA   ILE  85           HA       ILE  85   1.574  -6.423 -14.763
  677    HB   ILE  85           HB       ILE  85   2.881  -7.561 -17.264
  678   HG12  ILE  85          1HG1      ILE  85   4.447  -7.850 -15.424
  679   HG13  ILE  85          2HG1      ILE  85   4.987  -6.612 -16.527
  680   HG21  ILE  85          1HG2      ILE  85   1.715  -5.493 -17.765
  681   HG22  ILE  85          2HG2      ILE  85   2.439  -4.681 -16.362
  682   HG23  ILE  85          3HG2      ILE  85   3.448  -5.180 -17.738
  683   HD11  ILE  85          3HD1      ILE  85   5.417  -5.999 -14.185
  684   HD12  ILE  85          1HD1      ILE  85   4.309  -4.845 -14.935
  685   HD13  ILE  85          2HD1      ILE  85   3.689  -6.080 -13.814
  686    H    VAL  86           H        VAL  86  -0.233  -5.504 -15.626
  687    HA   VAL  86           HA       VAL  86  -1.915  -6.976 -17.583
  688    HB   VAL  86           HB       VAL  86  -2.960  -5.880 -14.939
  689   HG11  VAL  86          1HG1      VAL  86  -4.641  -5.707 -16.743
  690   HG12  VAL  86          2HG1      VAL  86  -4.389  -7.416 -17.159
  691   HG13  VAL  86          3HG1      VAL  86  -5.096  -6.963 -15.595
  692   HG21  VAL  86          3HG2      VAL  86  -3.504  -8.241 -14.374
  693   HG22  VAL  86          1HG2      VAL  86  -2.630  -8.782 -15.822
  694   HG23  VAL  86          2HG2      VAL  86  -1.767  -7.975 -14.490
  695    HA   PRO  87           HA       PRO  87  -2.106  -2.814 -19.293
  696    HB2  PRO  87           1HB      PRO  87  -4.834  -3.743 -20.230
  697    HB3  PRO  87           2HB      PRO  87  -3.577  -2.859 -21.150
  698    HG2  PRO  87           1HG      PRO  87  -3.850  -5.516 -21.493
  699    HG3  PRO  87           2HG      PRO  87  -2.207  -4.817 -21.301
  700    HD2  PRO  87           1HD      PRO  87  -3.918  -6.201 -19.222
  701    HD3  PRO  87           2HD      PRO  87  -2.174  -6.404 -19.581
  702    HA   PRO  88           HA       PRO  88  -4.498  -0.395 -16.451
  703    HB2  PRO  88           1HB      PRO  88  -5.102   1.912 -17.853
  704    HB3  PRO  88           2HB      PRO  88  -3.481   1.521 -17.208
  705    HG2  PRO  88           1HG      PRO  88  -4.522   1.054 -20.016
  706    HG3  PRO  88           2HG      PRO  88  -2.967   1.798 -19.517
  707    HD2  PRO  88           1HD      PRO  88  -3.108  -0.803 -20.240
  708    HD3  PRO  88           2HD      PRO  88  -2.067  -0.303 -18.875
  709    HA   PRO  89           HA       PRO  89  -8.567  -1.733 -17.318
  710    HB2  PRO  89           1HB      PRO  89 -10.027  -0.660 -15.263
  711    HB3  PRO  89           2HB      PRO  89  -8.782  -1.924 -15.034
  712    HG2  PRO  89           1HG      PRO  89  -8.476   1.074 -14.684
  713    HG3  PRO  89           2HG      PRO  89  -7.968  -0.236 -13.567
  714    HD2  PRO  89           1HD      PRO  89  -6.221   0.926 -15.310
  715    HD3  PRO  89           2HD      PRO  89  -6.139  -0.822 -14.925
  716    H    SER  90           H        SER  90 -10.442  -1.252 -18.368
  717    HA   SER  90           HA       SER  90 -11.636   1.354 -18.641
  718    HB2  SER  90           1HB      SER  90  -9.564   1.574 -20.096
  719    HB3  SER  90           2HB      SER  90 -10.218   0.275 -21.106
  720    HG   SER  90           HG       SER  90 -10.757   2.404 -21.874
  721    H    GLY  91           H        GLY  91 -13.443   1.246 -20.310
  722    HA2  GLY  91           1HA      GLY  91 -15.234   0.169 -21.363
  723    HA3  GLY  91           2HA      GLY  91 -14.422  -1.388 -21.114
  724    HA   PRO  92           HA       PRO  92 -18.130  -1.120 -18.321
  725    HB2  PRO  92           1HB      PRO  92 -19.321  -3.492 -18.950
  726    HB3  PRO  92           2HB      PRO  92 -19.470  -2.033 -19.978
  727    HG2  PRO  92           1HG      PRO  92 -17.535  -4.351 -20.307
  728    HG3  PRO  92           2HG      PRO  92 -18.603  -3.619 -21.549
  729    HD2  PRO  92           1HD      PRO  92 -15.983  -2.918 -21.295
  730    HD3  PRO  92           2HD      PRO  92 -17.228  -1.709 -21.736
  731    H    SER  93           H        SER  93 -18.674  -2.324 -16.404
  732    HA   SER  93           HA       SER  93 -16.448  -3.388 -14.990
  733    HB2  SER  93           1HB      SER  93 -19.405  -3.600 -14.311
  734    HB3  SER  93           2HB      SER  93 -18.052  -3.749 -13.182
  735    HG   SER  93           HG       SER  93 -17.565  -1.546 -13.531
  736    H    SER  94           H        SER  94 -15.779  -5.440 -14.459
  737    HA   SER  94           HA       SER  94 -16.627  -7.705 -15.996
  738    HB2  SER  94           1HB      SER  94 -14.977  -7.635 -13.443
  739    HB3  SER  94           2HB      SER  94 -15.017  -8.936 -14.637
  740    HG   SER  94           HG       SER  94 -14.030  -7.536 -16.144
  741    H    GLY  95           H        GLY  95 -17.725  -9.580 -15.433
  742    HA2  GLY  95           1HA      GLY  95 -18.699 -10.305 -12.855
  743    HA3  GLY  95           2HA      GLY  95 -19.982  -9.453 -13.714
  Start of MODEL   16
    1    H1   GLY  -3           1H       GLY  -3  14.749 -11.362   8.750
    2    H2   GLY  -3           2H       GLY  -3  14.153 -11.210   7.233
    3    H3   GLY  -3           3H       GLY  -3  15.665 -11.801   7.464
    4    HA2  GLY  -3           1HA      GLY  -3  16.426  -9.694   8.337
    5    HA3  GLY  -3           2HA      GLY  -3  15.798  -9.536   6.686
    6    H    SER  -2           H        SER  -2  16.002  -7.379   8.526
    7    HA   SER  -2           HA       SER  -2  13.435  -6.887   9.801
    8    HB2  SER  -2           1HB      SER  -2  15.771  -5.003   9.336
    9    HB3  SER  -2           2HB      SER  -2  14.449  -4.795  10.497
   10    HG   SER  -2           HG       SER  -2  16.355  -5.655  11.486
   11    H    SER  -1           H        SER  -1  14.292  -6.520   6.551
   12    HA   SER  -1           HA       SER  -1  11.990  -4.873   5.888
   13    HB2  SER  -1           1HB      SER  -1  13.255  -3.063   4.818
   14    HB3  SER  -1           2HB      SER  -1  13.555  -3.110   6.555
   15    HG   SER  -1           HG       SER  -1  15.501  -2.828   5.351
   16    H    GLY   0           H        GLY   0  11.982  -4.422   3.439
   17    HA2  GLY   0           1HA      GLY   0  12.419  -5.115   1.212
   18    HA3  GLY   0           2HA      GLY   0  13.333  -6.512   1.807
   19    H    SER   1           H        SER   1  12.216  -7.914   0.499
   20    HA   SER   1           HA       SER   1  10.734  -9.536  -0.038
   21    HB2  SER   1           1HB      SER   1   9.247  -8.830   2.510
   22    HB3  SER   1           2HB      SER   1   9.068 -10.298   1.547
   23    HG   SER   1           HG       SER   1  10.493 -10.604   3.335
   24    H    SER   2           H        SER   2   9.721  -6.356  -0.080
   25    HA   SER   2           HA       SER   2   7.894  -6.812  -2.289
   26    HB2  SER   2           1HB      SER   2   6.806  -5.878   0.389
   27    HB3  SER   2           2HB      SER   2   6.059  -5.389  -1.138
   28    HG   SER   2           HG       SER   2   6.584  -8.114  -0.565
   29    H    GLY   3           H        GLY   3   8.592  -5.297  -3.687
   30    HA2  GLY   3           1HA      GLY   3  10.065  -2.939  -2.776
   31    HA3  GLY   3           2HA      GLY   3   9.800  -3.474  -4.451
   32    H    ILE   4           H        ILE   4   6.764  -3.407  -3.362
   33    HA   ILE   4           HA       ILE   4   6.111  -1.112  -4.900
   34    HB   ILE   4           HB       ILE   4   4.705  -3.129  -4.624
   35   HG12  ILE   4          1HG1      ILE   4   2.519  -2.045  -4.484
   36   HG13  ILE   4          2HG1      ILE   4   3.245  -0.548  -3.913
   37   HG21  ILE   4          1HG2      ILE   4   4.957  -3.443  -2.161
   38   HG22  ILE   4          2HG2      ILE   4   3.952  -2.004  -1.893
   39   HG23  ILE   4          3HG2      ILE   4   3.270  -3.439  -2.680
   40   HD11  ILE   4          3HD1      ILE   4   2.671  -0.573  -6.350
   41   HD12  ILE   4          1HD1      ILE   4   4.394  -0.278  -6.076
   42   HD13  ILE   4          2HD1      ILE   4   3.832  -1.888  -6.595
   43    H    LYS   5           H        LYS   5   6.514  -1.363  -1.404
   44    HA   LYS   5           HA       LYS   5   5.387   1.228  -0.809
   45    HB2  LYS   5           1HB      LYS   5   6.210  -0.997   0.632
   46    HB3  LYS   5           2HB      LYS   5   7.483   0.140   1.029
   47    HG2  LYS   5           1HG      LYS   5   4.497   0.753   1.245
   48    HG3  LYS   5           2HG      LYS   5   5.410   0.011   2.547
   49    HD2  LYS   5           1HD      LYS   5   6.072   2.756   1.389
   50    HD3  LYS   5           2HD      LYS   5   5.030   2.469   2.782
   51    HE2  LYS   5           1HE      LYS   5   7.041   1.105   3.751
   52    HE3  LYS   5           2HE      LYS   5   8.009   1.951   2.535
   53    HZ1  LYS   5           3HZ      LYS   5   8.012   3.177   4.602
   54    HZ2  LYS   5           1HZ      LYS   5   7.145   4.057   3.529
   55    HZ3  LYS   5           2HZ      LYS   5   6.382   3.183   4.698
   56    H    ASN   6           H        ASN   6   8.612   0.167  -1.772
   57    HA   ASN   6           HA       ASN   6   9.793   2.848  -1.538
   58    HB2  ASN   6           1HB      ASN   6  11.124   0.771  -1.211
   59    HB3  ASN   6           2HB      ASN   6  10.815   0.320  -2.889
   60   HD21  ASN   6          2HD2      ASN   6  12.599   0.747  -4.166
   61   HD22  ASN   6          1HD2      ASN   6  13.650   2.135  -3.959
   62    H    PHE   7           H        PHE   7   8.167   0.928  -4.062
   63    HA   PHE   7           HA       PHE   7   8.970   2.476  -6.320
   64    HB2  PHE   7           1HB      PHE   7   7.969   0.232  -6.464
   65    HB3  PHE   7           2HB      PHE   7   6.453   0.854  -5.830
   66    HD1  PHE   7           1HD      PHE   7   8.755   0.978  -8.759
   67    HD2  PHE   7           2HD      PHE   7   4.859   1.992  -7.214
   68    HE1  PHE   7           1HE      PHE   7   7.987   1.539 -11.050
   69    HE2  PHE   7           2HE      PHE   7   4.100   2.559  -9.501
   70    HZ   PHE   7           HZ       PHE   7   5.655   2.323 -11.430
   71    H    LEU   8           H        LEU   8   6.049   2.782  -4.197
   72    HA   LEU   8           HA       LEU   8   5.032   5.088  -5.554
   73    HB2  LEU   8           1HB      LEU   8   3.736   3.657  -3.984
   74    HB3  LEU   8           2HB      LEU   8   4.716   4.256  -2.634
   75    HG   LEU   8           HG       LEU   8   3.837   6.495  -2.870
   76   HD11  LEU   8          1HD1      LEU   8   3.579   6.717  -5.314
   77   HD12  LEU   8          2HD1      LEU   8   2.266   5.519  -5.300
   78   HD13  LEU   8          3HD1      LEU   8   2.073   7.098  -4.498
   79   HD21  LEU   8          3HD2      LEU   8   1.474   6.096  -2.336
   80   HD22  LEU   8          1HD2      LEU   8   1.555   4.482  -3.078
   81   HD23  LEU   8          2HD2      LEU   8   2.484   4.837  -1.606
   82    H    TYR   9           H        TYR   9   7.266   4.809  -2.765
   83    HA   TYR   9           HA       TYR   9   7.573   7.586  -2.304
   84    HB2  TYR   9           1HB      TYR   9   8.241   5.720  -0.786
   85    HB3  TYR   9           2HB      TYR   9   9.594   5.359  -1.847
   86    HD1  TYR   9           2HD      TYR   9   8.191   7.767   0.584
   87    HD2  TYR   9           1HD      TYR   9  11.573   6.813  -1.914
   88    HE1  TYR   9           2HE      TYR   9   9.553   9.474   1.781
   89    HE2  TYR   9           1HE      TYR   9  12.938   8.518  -0.726
   90    HH   TYR   9           HH       TYR   9  12.982  10.117   0.932
   91    H    ALA  10           H        ALA  10   9.469   5.425  -4.446
   92    HA   ALA  10           HA       ALA  10  11.268   7.454  -5.412
   93    HB1  ALA  10           1HB      ALA  10  11.756   5.033  -5.467
   94    HB2  ALA  10           2HB      ALA  10  10.425   4.779  -6.621
   95    HB3  ALA  10           3HB      ALA  10  11.844   5.739  -7.092
   96    H    TRP  11           H        TRP  11   8.136   6.234  -6.700
   97    HA   TRP  11           HA       TRP  11   8.077   7.776  -9.097
   98    HB2  TRP  11           1HB      TRP  11   6.568   5.918  -8.647
   99    HB3  TRP  11           2HB      TRP  11   5.871   6.751  -7.273
  100    HD1  TRP  11           HD       TRP  11   5.719   6.655 -11.070
  101    HE1  TRP  11           1HE      TRP  11   3.669   7.974 -11.872
  102    HE3  TRP  11           3HE      TRP  11   4.285   8.719  -6.611
  103    HZ2  TRP  11           2HZ      TRP  11   1.855   9.942 -10.765
  104    HZ3  TRP  11           3HZ      TRP  11   2.356  10.266  -6.504
  105    HH2  TRP  11           HH       TRP  11   1.134  10.889  -8.575
  106    H    CYS  12           H        CYS  12   6.749   8.531  -5.853
  107    HA   CYS  12           HA       CYS  12   5.993  11.242  -6.320
  108    HB2  CYS  12           1HB      CYS  12   6.918   9.661  -3.902
  109    HB3  CYS  12           2HB      CYS  12   6.532  11.379  -3.770
  110    HG   CYS  12           HG       CYS  12   4.482   9.932  -2.912
  111    H    GLY  13           H        GLY  13   9.182   9.974  -5.227
  112    HA2  GLY  13           1HA      GLY  13  10.467  12.494  -4.969
  113    HA3  GLY  13           2HA      GLY  13  11.277  10.924  -5.186
  114    H    LYS  14           H        LYS  14   9.931  10.552  -7.874
  115    HA   LYS  14           HA       LYS  14  11.773  12.135  -9.549
  116    HB2  LYS  14           1HB      LYS  14   9.721   9.952 -10.086
  117    HB3  LYS  14           2HB      LYS  14  10.588  10.788 -11.382
  118    HG2  LYS  14           1HG      LYS  14  12.740  10.034 -10.568
  119    HG3  LYS  14           2HG      LYS  14  12.028   9.367  -9.103
  120    HD2  LYS  14           1HD      LYS  14  12.526   7.566 -10.623
  121    HD3  LYS  14           2HD      LYS  14  10.771   7.703 -10.444
  122    HE2  LYS  14           1HE      LYS  14  10.635   8.922 -12.602
  123    HE3  LYS  14           2HE      LYS  14  12.396   8.867 -12.758
  124    HZ1  LYS  14           3HZ      LYS  14  11.338   7.111 -14.046
  125    HZ2  LYS  14           1HZ      LYS  14  12.248   6.443 -12.866
  126    HZ3  LYS  14           2HZ      LYS  14  10.618   6.490 -12.717
  127    H    ARG  15           H        ARG  15   8.761  12.718  -8.233
  128    HA   ARG  15           HA       ARG  15   7.970  14.723 -10.307
  129    HB2  ARG  15           1HB      ARG  15   6.286  13.102  -8.359
  130    HB3  ARG  15           2HB      ARG  15   5.664  14.345  -9.456
  131    HG2  ARG  15           1HG      ARG  15   6.412  12.998 -11.408
  132    HG3  ARG  15           2HG      ARG  15   7.040  11.766 -10.336
  133    HD2  ARG  15           1HD      ARG  15   4.939  10.998 -11.093
  134    HD3  ARG  15           2HD      ARG  15   4.762  11.415  -9.393
  135    HE   ARG  15           HE       ARG  15   3.678  13.539 -10.097
  136   HH11  ARG  15          1HH1      ARG  15   3.660  10.950 -12.571
  137   HH12  ARG  15          2HH1      ARG  15   2.199  11.638 -13.278
  138   HH21  ARG  15          1HH2      ARG  15   1.837  14.279 -11.215
  139   HH22  ARG  15          2HH2      ARG  15   1.270  13.321 -12.582
  140    H    LYS  16           H        LYS  16   9.625  14.744  -7.561
  141    HA   LYS  16           HA       LYS  16  10.077  16.174  -5.878
  142    HB2  LYS  16           1HB      LYS  16   8.426  18.212  -7.428
  143    HB3  LYS  16           2HB      LYS  16   9.569  18.549  -6.130
  144    HG2  LYS  16           1HG      LYS  16  11.416  17.581  -7.491
  145    HG3  LYS  16           2HG      LYS  16  10.276  17.325  -8.828
  146    HD2  LYS  16           1HD      LYS  16   9.821  19.769  -8.914
  147    HD3  LYS  16           2HD      LYS  16  10.908  20.017  -7.545
  148    HE2  LYS  16           1HE      LYS  16  12.130  20.610  -9.502
  149    HE3  LYS  16           2HE      LYS  16  12.804  19.096  -8.898
  150    HZ1  LYS  16           3HZ      LYS  16  12.486  19.066 -11.309
  151    HZ2  LYS  16           1HZ      LYS  16  11.538  17.929 -10.624
  152    HZ3  LYS  16           2HZ      LYS  16  10.884  19.333 -11.156
  153    H    MET  17           H        MET  17   7.888  14.398  -5.509
  154    HA   MET  17           HA       MET  17   6.255  15.795  -3.411
  155    HB2  MET  17           1HB      MET  17   5.525  13.409  -5.164
  156    HB3  MET  17           2HB      MET  17   4.518  14.079  -3.881
  157    HG2  MET  17           1HG      MET  17   4.535  16.282  -5.123
  158    HG3  MET  17           2HG      MET  17   5.308  15.449  -6.468
  159    HE1  MET  17           3HE      MET  17   2.498  12.831  -7.482
  160    HE2  MET  17           1HE      MET  17   4.198  13.292  -7.660
  161    HE3  MET  17           2HE      MET  17   3.636  12.514  -6.165
  162    H    THR  18           H        THR  18   5.423  14.214  -1.781
  163    HA   THR  18           HA       THR  18   7.156  11.882  -1.163
  164    HB   THR  18           HB       THR  18   6.479  14.037   0.879
  165    HG1  THR  18           1HG      THR  18   8.698  14.461   0.789
  166   HG21  THR  18          3HG2      THR  18   8.066  12.771   2.318
  167   HG22  THR  18          1HG2      THR  18   6.670  11.781   1.886
  168   HG23  THR  18          2HG2      THR  18   8.224  11.531   1.055
  169    HA   PRO  19           HA       PRO  19   2.880  10.571  -0.367
  170    HB2  PRO  19           1HB      PRO  19   3.258   7.938   0.195
  171    HB3  PRO  19           2HB      PRO  19   3.469   8.598  -1.456
  172    HG2  PRO  19           1HG      PRO  19   5.608   8.022   0.614
  173    HG3  PRO  19           2HG      PRO  19   5.599   7.587  -1.121
  174    HD2  PRO  19           1HD      PRO  19   6.876   9.813  -0.092
  175    HD3  PRO  19           2HD      PRO  19   6.202   9.765  -1.743
  176    H    ALA  20           H        ALA  20   1.600  10.472   1.429
  177    HA   ALA  20           HA       ALA  20   2.937  10.408   4.114
  178    HB1  ALA  20           1HB      ALA  20   2.057  12.615   3.486
  179    HB2  ALA  20           2HB      ALA  20   0.457  11.904   3.171
  180    HB3  ALA  20           3HB      ALA  20   1.119  11.908   4.820
  181    H    TYR  21           H        TYR  21   2.525   8.658   5.237
  182    HA   TYR  21           HA       TYR  21   0.172   6.954   4.640
  183    HB2  TYR  21           1HB      TYR  21   2.758   6.401   6.137
  184    HB3  TYR  21           2HB      TYR  21   1.451   5.248   5.955
  185    HD1  TYR  21           1HD      TYR  21   4.119   7.083   4.129
  186    HD2  TYR  21           2HD      TYR  21   1.103   4.010   3.917
  187    HE1  TYR  21           1HE      TYR  21   5.071   6.294   1.974
  188    HE2  TYR  21           2HE      TYR  21   2.053   3.215   1.765
  189    HH   TYR  21           HH       TYR  21   3.634   3.592   0.120
  190    H    GLU  22           H        GLU  22  -1.072   5.999   6.313
  191    HA   GLU  22           HA       GLU  22  -0.682   6.834   9.100
  192    HB2  GLU  22           1HB      GLU  22  -2.213   8.553   8.176
  193    HB3  GLU  22           2HB      GLU  22  -3.316   7.290   7.641
  194    HG2  GLU  22           1HG      GLU  22  -4.117   8.351   9.681
  195    HG3  GLU  22           2HG      GLU  22  -3.777   6.656   9.973
  196    H    ILE  23           H        ILE  23  -1.722   5.404  10.607
  197    HA   ILE  23           HA       ILE  23  -2.405   2.698   9.502
  198    HB   ILE  23           HB       ILE  23  -0.212   3.390  11.495
  199   HG12  ILE  23          1HG1      ILE  23  -0.178   2.060   8.749
  200   HG13  ILE  23          2HG1      ILE  23   0.427   3.674   9.133
  201   HG21  ILE  23          1HG2      ILE  23  -1.394   1.365  12.296
  202   HG22  ILE  23          2HG2      ILE  23  -1.191   0.610  10.696
  203   HG23  ILE  23          3HG2      ILE  23   0.207   0.975  11.728
  204   HD11  ILE  23          3HD1      ILE  23   2.318   2.293   8.923
  205   HD12  ILE  23          1HD1      ILE  23   2.128   2.591  10.663
  206   HD13  ILE  23          2HD1      ILE  23   1.628   1.031   9.951
  207    H    ARG  24           H        ARG  24  -3.656   1.381  10.776
  208    HA   ARG  24           HA       ARG  24  -4.922   2.513  13.224
  209    HB2  ARG  24           1HB      ARG  24  -6.035   3.300  11.110
  210    HB3  ARG  24           2HB      ARG  24  -6.441   1.619  10.755
  211    HG2  ARG  24           1HG      ARG  24  -7.816   1.494  12.788
  212    HG3  ARG  24           2HG      ARG  24  -7.361   3.151  13.225
  213    HD2  ARG  24           1HD      ARG  24  -8.870   2.347  10.689
  214    HD3  ARG  24           2HD      ARG  24  -9.614   2.972  12.154
  215    HE   ARG  24           HE       ARG  24  -8.631   5.110  11.813
  216   HH11  ARG  24          1HH1      ARG  24  -8.079   3.049   8.933
  217   HH12  ARG  24          2HH1      ARG  24  -7.625   4.474   7.998
  218   HH21  ARG  24          1HH2      ARG  24  -8.054   6.800  10.396
  219   HH22  ARG  24          2HH2      ARG  24  -7.629   6.379   8.738
  220    H    ALA  25           H        ALA  25  -5.538   1.022  14.641
  221    HA   ALA  25           HA       ALA  25  -4.810  -1.815  14.172
  222    HB1  ALA  25           1HB      ALA  25  -3.958  -0.635  16.166
  223    HB2  ALA  25           2HB      ALA  25  -5.626  -0.320  16.705
  224    HB3  ALA  25           3HB      ALA  25  -5.015  -1.984  16.621
  225    H    VAL  26           H        VAL  26  -6.214  -3.520  14.164
  226    HA   VAL  26           HA       VAL  26  -9.104  -3.181  14.694
  227    HB   VAL  26           HB       VAL  26  -9.765  -4.077  12.497
  228   HG11  VAL  26          1HG1      VAL  26  -9.856  -1.632  12.931
  229   HG12  VAL  26          2HG1      VAL  26  -8.273  -1.458  12.130
  230   HG13  VAL  26          3HG1      VAL  26  -9.675  -2.055  11.226
  231   HG21  VAL  26          3HG2      VAL  26  -8.267  -4.028  10.561
  232   HG22  VAL  26          1HG2      VAL  26  -6.899  -3.557  11.590
  233   HG23  VAL  26          2HG2      VAL  26  -7.667  -5.149  11.779
  234    H    GLY  27           H        GLY  27 -10.299  -5.276  14.424
  235    HA2  GLY  27           1HA      GLY  27 -10.387  -7.656  14.424
  236    HA3  GLY  27           2HA      GLY  27  -8.632  -7.739  14.661
  237    H    ASN  28           H        ASN  28  -8.283  -8.740  16.527
  238    HA   ASN  28           HA       ASN  28 -10.061  -8.243  18.885
  239    HB2  ASN  28           1HB      ASN  28 -10.364 -10.426  17.785
  240    HB3  ASN  28           2HB      ASN  28  -8.645 -10.771  17.954
  241   HD21  ASN  28          2HD2      ASN  28 -11.726 -10.439  19.727
  242   HD22  ASN  28          1HD2      ASN  28 -11.136 -11.217  21.186
  243    H    LYS  29           H        LYS  29  -9.108  -8.403  21.001
  244    HA   LYS  29           HA       LYS  29  -6.669  -7.023  21.434
  245    HB2  LYS  29           1HB      LYS  29  -8.112  -9.008  23.255
  246    HB3  LYS  29           2HB      LYS  29  -6.941  -7.804  23.777
  247    HG2  LYS  29           1HG      LYS  29  -9.670  -7.185  22.551
  248    HG3  LYS  29           2HG      LYS  29  -9.275  -7.217  24.264
  249    HD2  LYS  29           1HD      LYS  29  -7.611  -5.382  23.912
  250    HD3  LYS  29           2HD      LYS  29  -8.076  -5.315  22.196
  251    HE2  LYS  29           1HE      LYS  29 -10.417  -4.805  22.846
  252    HE3  LYS  29           2HE      LYS  29  -9.968  -4.885  24.554
  253    HZ1  LYS  29           3HZ      LYS  29 -10.001  -2.600  23.757
  254    HZ2  LYS  29           1HZ      LYS  29  -8.476  -2.998  24.183
  255    HZ3  LYS  29           2HZ      LYS  29  -8.892  -2.922  22.603
  256    H    ASN  30           H        ASN  30  -7.284 -10.524  21.520
  257    HA   ASN  30           HA       ASN  30  -4.462 -11.196  21.985
  258    HB2  ASN  30           1HB      ASN  30  -6.324 -12.447  23.021
  259    HB3  ASN  30           2HB      ASN  30  -6.890 -12.946  21.426
  260   HD21  ASN  30          2HD2      ASN  30  -4.177 -13.261  23.759
  261   HD22  ASN  30          1HD2      ASN  30  -3.577 -14.760  23.075
  262    H    ARG  31           H        ARG  31  -6.594 -10.990  19.182
  263    HA   ARG  31           HA       ARG  31  -4.333 -11.784  17.402
  264    HB2  ARG  31           1HB      ARG  31  -6.371 -13.375  17.537
  265    HB3  ARG  31           2HB      ARG  31  -7.218 -12.174  16.576
  266    HG2  ARG  31           1HG      ARG  31  -4.665 -13.686  15.862
  267    HG3  ARG  31           2HG      ARG  31  -6.268 -13.923  15.167
  268    HD2  ARG  31           1HD      ARG  31  -6.150 -11.630  14.171
  269    HD3  ARG  31           2HD      ARG  31  -4.510 -11.466  14.831
  270    HE   ARG  31           HE       ARG  31  -5.033 -13.790  13.093
  271   HH11  ARG  31          1HH1      ARG  31  -3.502 -10.551  13.325
  272   HH12  ARG  31          2HH1      ARG  31  -2.570 -10.875  11.880
  273   HH21  ARG  31          1HH2      ARG  31  -3.711 -14.026  11.265
  274   HH22  ARG  31          2HH2      ARG  31  -2.661 -12.709  10.802
  275    H    GLN  32           H        GLN  32  -3.658  -9.658  17.537
  276    HA   GLN  32           HA       GLN  32  -5.187  -7.387  16.621
  277    HB2  GLN  32           1HB      GLN  32  -3.246  -7.334  18.207
  278    HB3  GLN  32           2HB      GLN  32  -2.178  -7.837  16.897
  279    HG2  GLN  32           1HG      GLN  32  -1.925  -5.481  17.273
  280    HG3  GLN  32           2HG      GLN  32  -2.661  -5.702  15.695
  281   HE21  GLN  32          2HE2      GLN  32  -3.093  -4.340  18.924
  282   HE22  GLN  32          1HE2      GLN  32  -4.671  -3.644  18.596
  283    H    LYS  33           H        LYS  33  -5.067  -6.259  14.711
  284    HA   LYS  33           HA       LYS  33  -3.420  -7.137  12.427
  285    HB2  LYS  33           1HB      LYS  33  -6.467  -6.977  12.398
  286    HB3  LYS  33           2HB      LYS  33  -5.488  -6.818  10.936
  287    HG2  LYS  33           1HG      LYS  33  -4.537  -9.069  11.315
  288    HG3  LYS  33           2HG      LYS  33  -5.568  -9.256  12.756
  289    HD2  LYS  33           1HD      LYS  33  -7.588  -8.991  11.358
  290    HD3  LYS  33           2HD      LYS  33  -6.569  -8.810   9.914
  291    HE2  LYS  33           1HE      LYS  33  -5.620 -11.077  10.297
  292    HE3  LYS  33           2HE      LYS  33  -6.626 -11.258  11.742
  293    HZ1  LYS  33           3HZ      LYS  33  -7.644 -12.328   9.822
  294    HZ2  LYS  33           1HZ      LYS  33  -8.592 -11.094  10.313
  295    HZ3  LYS  33           2HZ      LYS  33  -7.662 -10.933   8.977
  296    H    PHE  34           H        PHE  34  -3.173  -5.455  10.845
  297    HA   PHE  34           HA       PHE  34  -3.839  -2.711  11.840
  298    HB2  PHE  34           1HB      PHE  34  -1.189  -3.680  10.716
  299    HB3  PHE  34           2HB      PHE  34  -1.595  -2.009  11.086
  300    HD1  PHE  34           2HD      PHE  34  -2.377  -1.493  13.548
  301    HD2  PHE  34           1HD      PHE  34  -0.153  -4.993  12.381
  302    HE1  PHE  34           2HE      PHE  34  -1.678  -1.834  15.908
  303    HE2  PHE  34           1HE      PHE  34   0.554  -5.332  14.738
  304    HZ   PHE  34           HZ       PHE  34  -0.215  -3.758  16.508
  305    H    MET  35           H        MET  35  -4.839  -1.518  10.485
  306    HA   MET  35           HA       MET  35  -4.787  -1.997   7.549
  307    HB2  MET  35           1HB      MET  35  -6.381   0.091   9.074
  308    HB3  MET  35           2HB      MET  35  -6.540  -0.380   7.383
  309    HG2  MET  35           1HG      MET  35  -7.133  -2.742   8.307
  310    HG3  MET  35           2HG      MET  35  -7.282  -1.930   9.863
  311    HE1  MET  35           3HE      MET  35 -10.046  -1.454   6.195
  312    HE2  MET  35           1HE      MET  35  -8.317  -1.062   6.107
  313    HE3  MET  35           2HE      MET  35  -8.836  -2.729   6.441
  314    H    CYS  36           H        CYS  36  -4.198  -0.255   6.163
  315    HA   CYS  36           HA       CYS  36  -2.886   2.106   7.344
  316    HB2  CYS  36           1HB      CYS  36  -1.092   0.398   7.090
  317    HB3  CYS  36           2HB      CYS  36  -1.505   0.245   5.369
  318    HG   CYS  36           HG       CYS  36  -0.767   3.110   6.887
  319    H    GLU  37           H        GLU  37  -2.825   3.878   5.972
  320    HA   GLU  37           HA       GLU  37  -4.015   3.647   3.298
  321    HB2  GLU  37           1HB      GLU  37  -5.428   5.589   3.677
  322    HB3  GLU  37           2HB      GLU  37  -5.882   4.249   4.731
  323    HG2  GLU  37           1HG      GLU  37  -4.636   5.358   6.612
  324    HG3  GLU  37           2HG      GLU  37  -4.279   6.717   5.535
  325    H    VAL  38           H        VAL  38  -3.404   5.331   1.877
  326    HA   VAL  38           HA       VAL  38  -1.180   7.091   2.749
  327    HB   VAL  38           HB       VAL  38  -0.213   4.973   1.896
  328   HG11  VAL  38          1HG1      VAL  38  -1.892   4.437   0.142
  329   HG12  VAL  38          2HG1      VAL  38  -1.274   5.796  -0.827
  330   HG13  VAL  38          3HG1      VAL  38  -0.226   4.418  -0.457
  331   HG21  VAL  38          3HG2      VAL  38   1.462   6.015   0.435
  332   HG22  VAL  38          1HG2      VAL  38   0.412   7.404   0.154
  333   HG23  VAL  38          2HG2      VAL  38   1.064   7.096   1.780
  334    H    ARG  39           H        ARG  39  -0.940   8.950   1.709
  335    HA   ARG  39           HA       ARG  39  -2.872   9.746  -0.422
  336    HB2  ARG  39           1HB      ARG  39  -2.308  11.266   2.166
  337    HB3  ARG  39           2HB      ARG  39  -3.388  11.774   0.860
  338    HG2  ARG  39           1HG      ARG  39  -4.777   9.710   1.287
  339    HG3  ARG  39           2HG      ARG  39  -3.757   9.364   2.697
  340    HD2  ARG  39           1HD      ARG  39  -4.373  11.605   3.637
  341    HD3  ARG  39           2HD      ARG  39  -5.485  11.822   2.272
  342    HE   ARG  39           HE       ARG  39  -5.764   9.402   3.996
  343   HH11  ARG  39          1HH1      ARG  39  -7.179  12.535   3.121
  344   HH12  ARG  39          2HH1      ARG  39  -8.683  12.150   3.907
  345   HH21  ARG  39          1HH2      ARG  39  -7.638   9.000   4.990
  346   HH22  ARG  39          2HH2      ARG  39  -8.956  10.157   4.952
  347    H    VAL  40           H        VAL  40  -2.261  11.617  -1.587
  348    HA   VAL  40           HA       VAL  40   0.518  12.642  -1.357
  349    HB   VAL  40           HB       VAL  40  -0.629  11.529  -3.957
  350   HG11  VAL  40          1HG1      VAL  40   0.857  13.464  -4.343
  351   HG12  VAL  40          2HG1      VAL  40   2.114  12.724  -3.329
  352   HG13  VAL  40          3HG1      VAL  40   1.638  11.976  -4.870
  353   HG21  VAL  40          3HG2      VAL  40   1.232   9.865  -3.853
  354   HG22  VAL  40          1HG2      VAL  40   1.641  10.439  -2.228
  355   HG23  VAL  40          2HG2      VAL  40   0.080   9.644  -2.534
  356    H    GLU  41           H        GLU  41   0.637  14.785  -1.840
  357    HA   GLU  41           HA       GLU  41  -1.728  16.343  -1.885
  358    HB2  GLU  41           1HB      GLU  41   0.466  17.040  -0.963
  359    HB3  GLU  41           2HB      GLU  41   1.113  17.178  -2.605
  360    HG2  GLU  41           1HG      GLU  41  -0.542  18.947  -3.119
  361    HG3  GLU  41           2HG      GLU  41  -1.274  18.745  -1.523
  362    H    GLY  42           H        GLY  42  -2.988  17.129  -3.458
  363    HA2  GLY  42           1HA      GLY  42  -3.566  17.985  -5.574
  364    HA3  GLY  42           2HA      GLY  42  -2.095  17.283  -6.288
  365    H    PHE  43           H        PHE  43  -3.513  14.858  -4.465
  366    HA   PHE  43           HA       PHE  43  -5.196  13.855  -6.733
  367    HB2  PHE  43           1HB      PHE  43  -3.430  12.291  -4.814
  368    HB3  PHE  43           2HB      PHE  43  -4.493  11.599  -6.029
  369    HD1  PHE  43           1HD      PHE  43  -3.946  11.739  -8.444
  370    HD2  PHE  43           2HD      PHE  43  -1.347  13.457  -5.466
  371    HE1  PHE  43           1HE      PHE  43  -2.158  12.009 -10.147
  372    HE2  PHE  43           2HE      PHE  43   0.423  13.736  -7.168
  373    HZ   PHE  43           HZ       PHE  43   0.026  13.006  -9.518
  374    H    ASN  44           H        ASN  44  -7.233  13.327  -6.290
  375    HA   ASN  44           HA       ASN  44  -8.345  14.063  -3.729
  376    HB2  ASN  44           1HB      ASN  44  -9.388  14.559  -5.914
  377    HB3  ASN  44           2HB      ASN  44  -9.620  12.833  -6.207
  378   HD21  ASN  44          2HD2      ASN  44 -10.558  15.535  -4.012
  379   HD22  ASN  44          1HD2      ASN  44 -12.081  14.804  -3.539
  380    H    TYR  45           H        TYR  45  -7.447  10.971  -5.125
  381    HA   TYR  45           HA       TYR  45  -9.115   9.351  -3.369
  382    HB2  TYR  45           1HB      TYR  45  -8.479   8.709  -5.679
  383    HB3  TYR  45           2HB      TYR  45  -6.794   8.603  -5.172
  384    HD1  TYR  45           2HD      TYR  45 -10.190   7.273  -4.207
  385    HD2  TYR  45           1HD      TYR  45  -5.977   6.464  -4.622
  386    HE1  TYR  45           2HE      TYR  45 -10.573   4.918  -3.505
  387    HE2  TYR  45           1HE      TYR  45  -6.361   4.098  -3.959
  388    HH   TYR  45           HH       TYR  45  -7.900   2.558  -3.134
  389    H    ALA  46           H        ALA  46  -8.380   7.847  -1.820
  390    HA   ALA  46           HA       ALA  46  -5.648   8.166  -0.678
  391    HB1  ALA  46           1HB      ALA  46  -7.195   9.433   0.778
  392    HB2  ALA  46           2HB      ALA  46  -8.255   8.014   0.912
  393    HB3  ALA  46           3HB      ALA  46  -6.616   7.962   1.591
  394    H    GLY  47           H        GLY  47  -4.706   6.284  -1.127
  395    HA2  GLY  47           1HA      GLY  47  -6.285   3.836  -1.599
  396    HA3  GLY  47           2HA      GLY  47  -4.541   4.026  -1.869
  397    H    MET  48           H        MET  48  -6.014   1.871  -0.499
  398    HA   MET  48           HA       MET  48  -4.675   1.940   2.130
  399    HB2  MET  48           1HB      MET  48  -6.758   1.481   3.304
  400    HB3  MET  48           2HB      MET  48  -6.772   3.071   2.548
  401    HG2  MET  48           1HG      MET  48  -8.147   2.189   0.695
  402    HG3  MET  48           2HG      MET  48  -8.131   0.583   1.416
  403    HE1  MET  48           3HE      MET  48 -10.397   0.934   4.546
  404    HE2  MET  48           1HE      MET  48  -9.433  -0.145   3.517
  405    HE3  MET  48           2HE      MET  48  -8.630   1.068   4.544
  406    H    GLY  49           H        GLY  49  -4.593   0.083   3.300
  407    HA2  GLY  49           1HA      GLY  49  -5.259  -2.536   2.071
  408    HA3  GLY  49           2HA      GLY  49  -3.560  -2.151   2.319
  409    H    ASN  50           H        ASN  50  -4.269  -4.306   3.570
  410    HA   ASN  50           HA       ASN  50  -4.034  -3.618   6.409
  411    HB2  ASN  50           1HB      ASN  50  -6.416  -3.733   6.227
  412    HB3  ASN  50           2HB      ASN  50  -6.344  -5.186   5.228
  413   HD21  ASN  50          2HD2      ASN  50  -6.383  -7.192   6.222
  414   HD22  ASN  50          1HD2      ASN  50  -6.382  -7.388   7.967
  415    H    SER  51           H        SER  51  -3.311  -5.338   7.711
  416    HA   SER  51           HA       SER  51  -2.674  -7.968   6.740
  417    HB2  SER  51           1HB      SER  51  -0.909  -6.549   5.514
  418    HB3  SER  51           2HB      SER  51  -0.230  -6.206   7.105
  419    HG   SER  51           HG       SER  51  -0.331  -8.634   5.654
  420    H    THR  52           H        THR  52  -0.791  -8.879   8.306
  421    HA   THR  52           HA       THR  52  -1.637  -8.483  11.125
  422    HB   THR  52           HB       THR  52   0.376 -10.382   9.846
  423    HG1  THR  52           1HG      THR  52  -1.742 -10.836   9.290
  424   HG21  THR  52          3HG2      THR  52   0.058 -11.651  12.030
  425   HG22  THR  52          1HG2      THR  52   1.027 -10.178  12.147
  426   HG23  THR  52          2HG2      THR  52  -0.657 -10.165  12.705
  427    H    ASN  53           H        ASN  53   0.862  -7.416   8.946
  428    HA   ASN  53           HA       ASN  53   2.444  -6.249  11.211
  429    HB2  ASN  53           1HB      ASN  53   3.402  -6.954   8.423
  430    HB3  ASN  53           2HB      ASN  53   4.396  -6.418   9.770
  431   HD21  ASN  53          2HD2      ASN  53   4.165  -8.972   7.997
  432   HD22  ASN  53          1HD2      ASN  53   4.253 -10.268   9.193
  433    H    LYS  54           H        LYS  54   2.995  -4.084  11.113
  434    HA   LYS  54           HA       LYS  54   1.444  -2.261   9.557
  435    HB2  LYS  54           1HB      LYS  54   4.038  -1.913  11.127
  436    HB3  LYS  54           2HB      LYS  54   3.121  -0.580  10.431
  437    HG2  LYS  54           1HG      LYS  54   1.110  -1.322  11.778
  438    HG3  LYS  54           2HG      LYS  54   2.147  -2.520  12.573
  439    HD2  LYS  54           1HD      LYS  54   3.657  -0.655  13.335
  440    HD3  LYS  54           2HD      LYS  54   2.581   0.502  12.550
  441    HE2  LYS  54           1HE      LYS  54   1.997   0.559  14.838
  442    HE3  LYS  54           2HE      LYS  54   0.697  -0.323  14.029
  443    HZ1  LYS  54           3HZ      LYS  54   1.429  -1.405  16.088
  444    HZ2  LYS  54           1HZ      LYS  54   1.703  -2.391  14.815
  445    HZ3  LYS  54           2HZ      LYS  54   2.947  -1.581  15.515
  446    H    LYS  55           H        LYS  55   4.610  -3.671   8.844
  447    HA   LYS  55           HA       LYS  55   5.258  -1.875   6.642
  448    HB2  LYS  55           1HB      LYS  55   6.309  -4.596   7.530
  449    HB3  LYS  55           2HB      LYS  55   6.975  -3.679   6.175
  450    HG2  LYS  55           1HG      LYS  55   7.591  -1.822   7.626
  451    HG3  LYS  55           2HG      LYS  55   6.776  -2.566   9.012
  452    HD2  LYS  55           1HD      LYS  55   8.353  -4.463   8.957
  453    HD3  LYS  55           2HD      LYS  55   9.201  -3.732   7.574
  454    HE2  LYS  55           1HE      LYS  55   9.801  -1.773   8.907
  455    HE3  LYS  55           2HE      LYS  55   8.801  -2.327  10.256
  456    HZ1  LYS  55           3HZ      LYS  55  11.151  -2.820  10.612
  457    HZ2  LYS  55           1HZ      LYS  55  10.294  -4.207  10.535
  458    HZ3  LYS  55           2HZ      LYS  55  11.220  -3.748   9.268
  459    H    ASP  56           H        ASP  56   3.852  -5.161   6.772
  460    HA   ASP  56           HA       ASP  56   3.450  -5.420   3.915
  461    HB2  ASP  56           1HB      ASP  56   2.201  -6.768   6.333
  462    HB3  ASP  56           2HB      ASP  56   1.787  -7.185   4.673
  463    H    ALA  57           H        ALA  57   1.467  -4.097   6.570
  464    HA   ALA  57           HA       ALA  57  -0.894  -3.618   5.003
  465    HB1  ALA  57           1HB      ALA  57  -0.815  -3.690   7.486
  466    HB2  ALA  57           2HB      ALA  57   0.106  -2.171   7.500
  467    HB3  ALA  57           3HB      ALA  57  -1.559  -2.197   6.881
  468    H    GLN  58           H        GLN  58   1.893  -1.454   5.766
  469    HA   GLN  58           HA       GLN  58   1.106   0.757   4.115
  470    HB2  GLN  58           1HB      GLN  58   3.804  -0.336   5.008
  471    HB3  GLN  58           2HB      GLN  58   3.661   1.063   3.950
  472    HG2  GLN  58           1HG      GLN  58   2.501   2.354   5.603
  473    HG3  GLN  58           2HG      GLN  58   2.357   0.964   6.685
  474   HE21  GLN  58          2HE2      GLN  58   4.099   0.516   8.073
  475   HE22  GLN  58          1HE2      GLN  58   5.611   1.422   8.037
  476    H    SER  59           H        SER  59   2.967  -2.222   3.270
  477    HA   SER  59           HA       SER  59   3.457  -1.460   0.550
  478    HB2  SER  59           1HB      SER  59   3.165  -4.241   1.754
  479    HB3  SER  59           2HB      SER  59   3.829  -3.866   0.159
  480    HG   SER  59           HG       SER  59   4.894  -3.127   2.705
  481    H    ASN  60           H        ASN  60   0.657  -3.139   2.025
  482    HA   ASN  60           HA       ASN  60  -0.689  -3.535  -0.519
  483    HB2  ASN  60           1HB      ASN  60  -1.638  -3.667   2.368
  484    HB3  ASN  60           2HB      ASN  60  -2.671  -4.028   0.981
  485   HD21  ASN  60          2HD2      ASN  60  -2.100  -5.979   3.035
  486   HD22  ASN  60          1HD2      ASN  60  -1.175  -7.241   2.253
  487    H    ALA  61           H        ALA  61  -0.852  -0.947   1.967
  488    HA   ALA  61           HA       ALA  61  -2.894   0.613   0.687
  489    HB1  ALA  61           1HB      ALA  61  -2.073   0.912   3.038
  490    HB2  ALA  61           2HB      ALA  61  -0.539   1.539   2.400
  491    HB3  ALA  61           3HB      ALA  61  -2.045   2.425   2.106
  492    H    ALA  62           H        ALA  62   0.672   0.683   0.323
  493    HA   ALA  62           HA       ALA  62   0.777   2.704  -1.684
  494    HB1  ALA  62           1HB      ALA  62   2.708   1.860  -0.358
  495    HB2  ALA  62           2HB      ALA  62   2.627   0.315  -1.221
  496    HB3  ALA  62           3HB      ALA  62   3.026   1.802  -2.109
  497    H    ARG  63           H        ARG  63   0.610  -0.896  -2.057
  498    HA   ARG  63           HA       ARG  63   0.543  -0.913  -4.850
  499    HB2  ARG  63           1HB      ARG  63   0.804  -2.932  -3.344
  500    HB3  ARG  63           2HB      ARG  63  -0.911  -2.839  -2.977
  501    HG2  ARG  63           1HG      ARG  63  -0.506  -4.551  -4.651
  502    HG3  ARG  63           2HG      ARG  63  -1.468  -3.255  -5.349
  503    HD2  ARG  63           1HD      ARG  63   0.755  -2.330  -6.323
  504    HD3  ARG  63           2HD      ARG  63   1.493  -3.833  -5.781
  505    HE   ARG  63           HE       ARG  63   0.456  -4.962  -7.510
  506   HH11  ARG  63          1HH1      ARG  63  -1.154  -1.788  -7.283
  507   HH12  ARG  63          2HH1      ARG  63  -1.779  -1.925  -8.899
  508   HH21  ARG  63          1HH2      ARG  63  -0.499  -5.084  -9.523
  509   HH22  ARG  63          2HH2      ARG  63  -1.490  -3.787 -10.109
  510    H    ASP  64           H        ASP  64  -2.197  -0.473  -2.625
  511    HA   ASP  64           HA       ASP  64  -4.233  -0.455  -4.652
  512    HB2  ASP  64           1HB      ASP  64  -4.587  -0.967  -2.260
  513    HB3  ASP  64           2HB      ASP  64  -4.220   0.709  -1.846
  514    H    PHE  65           H        PHE  65  -2.352   2.234  -3.113
  515    HA   PHE  65           HA       PHE  65  -3.755   4.273  -4.625
  516    HB2  PHE  65           1HB      PHE  65  -2.530   4.667  -2.482
  517    HB3  PHE  65           2HB      PHE  65  -1.010   4.443  -3.335
  518    HD1  PHE  65           1HD      PHE  65  -4.096   6.549  -3.151
  519    HD2  PHE  65           2HD      PHE  65  -0.094   6.233  -4.699
  520    HE1  PHE  65           1HE      PHE  65  -4.193   8.920  -3.877
  521    HE2  PHE  65           2HE      PHE  65  -0.184   8.617  -5.400
  522    HZ   PHE  65           HZ       PHE  65  -2.236   9.955  -5.006
  523    H    VAL  66           H        VAL  66  -0.716   2.465  -5.199
  524    HA   VAL  66           HA       VAL  66  -0.020   3.769  -7.660
  525    HB   VAL  66           HB       VAL  66   0.536   0.949  -6.674
  526   HG11  VAL  66          1HG1      VAL  66   0.757   0.808  -9.092
  527   HG12  VAL  66          2HG1      VAL  66   1.635   2.355  -9.146
  528   HG13  VAL  66          3HG1      VAL  66   2.377   0.927  -8.398
  529   HG21  VAL  66          3HG2      VAL  66   2.724   1.849  -6.142
  530   HG22  VAL  66          1HG2      VAL  66   2.331   3.397  -6.933
  531   HG23  VAL  66          2HG2      VAL  66   1.503   2.923  -5.445
  532    H    ASN  67           H        ASN  67  -2.273   1.105  -6.968
  533    HA   ASN  67           HA       ASN  67  -2.967   0.511  -9.691
  534    HB2  ASN  67           1HB      ASN  67  -3.904  -1.127  -8.493
  535    HB3  ASN  67           2HB      ASN  67  -3.925  -0.186  -7.014
  536   HD21  ASN  67          2HD2      ASN  67  -5.765   0.946  -6.394
  537   HD22  ASN  67          1HD2      ASN  67  -7.282   0.766  -7.238
  538    H    TYR  68           H        TYR  68  -4.483   2.865  -7.373
  539    HA   TYR  68           HA       TYR  68  -6.268   4.080  -9.210
  540    HB2  TYR  68           1HB      TYR  68  -6.594   4.634  -6.999
  541    HB3  TYR  68           2HB      TYR  68  -4.906   4.936  -6.675
  542    HD1  TYR  68           1HD      TYR  68  -7.905   6.371  -8.397
  543    HD2  TYR  68           2HD      TYR  68  -3.941   7.093  -6.856
  544    HE1  TYR  68           1HE      TYR  68  -8.240   8.819  -8.683
  545    HE2  TYR  68           2HE      TYR  68  -4.269   9.535  -7.144
  546    HH   TYR  68           HH       TYR  68  -7.342  10.918  -8.399
  547    H    LEU  69           H        LEU  69  -2.808   4.924  -8.635
  548    HA   LEU  69           HA       LEU  69  -2.706   7.038 -10.556
  549    HB2  LEU  69           1HB      LEU  69  -0.504   5.174  -9.624
  550    HB3  LEU  69           2HB      LEU  69  -0.287   6.649 -10.562
  551    HG   LEU  69           HG       LEU  69  -1.447   6.612  -7.754
  552   HD11  LEU  69          1HD1      LEU  69   0.881   5.859  -7.745
  553   HD12  LEU  69          2HD1      LEU  69   1.356   7.221  -8.773
  554   HD13  LEU  69          3HD1      LEU  69   0.796   7.508  -7.118
  555   HD21  LEU  69          3HD2      LEU  69  -0.959   9.061  -7.850
  556   HD22  LEU  69          1HD2      LEU  69  -0.579   8.893  -9.577
  557   HD23  LEU  69          2HD2      LEU  69  -2.220   8.561  -8.977
  558    H    VAL  70           H        VAL  70  -2.531   3.537 -11.117
  559    HA   VAL  70           HA       VAL  70  -1.887   3.839 -13.951
  560    HB   VAL  70           HB       VAL  70  -3.131   1.485 -12.485
  561   HG11  VAL  70          1HG1      VAL  70  -3.732   1.323 -14.862
  562   HG12  VAL  70          2HG1      VAL  70  -2.038   1.611 -15.327
  563   HG13  VAL  70          3HG1      VAL  70  -2.505   0.132 -14.455
  564   HG21  VAL  70          3HG2      VAL  70  -0.925   0.474 -12.628
  565   HG22  VAL  70          1HG2      VAL  70  -0.291   1.883 -13.506
  566   HG23  VAL  70          2HG2      VAL  70  -0.793   2.036 -11.816
  567    H    ARG  71           H        ARG  71  -4.936   3.523 -12.091
  568    HA   ARG  71           HA       ARG  71  -6.685   3.452 -14.351
  569    HB2  ARG  71           1HB      ARG  71  -7.394   4.720 -11.681
  570    HB3  ARG  71           2HB      ARG  71  -8.493   4.097 -12.899
  571    HG2  ARG  71           1HG      ARG  71  -6.711   2.537 -11.035
  572    HG3  ARG  71           2HG      ARG  71  -8.456   2.543 -11.109
  573    HD2  ARG  71           1HD      ARG  71  -8.445   1.327 -13.215
  574    HD3  ARG  71           2HD      ARG  71  -6.672   1.430 -13.317
  575    HE   ARG  71           HE       ARG  71  -7.084   0.247 -10.872
  576   HH11  ARG  71          1HH1      ARG  71  -8.057  -0.697 -14.149
  577   HH12  ARG  71          2HH1      ARG  71  -8.008  -2.389 -13.750
  578   HH21  ARG  71          1HH2      ARG  71  -7.033  -1.858 -10.441
  579   HH22  ARG  71          2HH2      ARG  71  -7.439  -3.057 -11.650
  580    H    ILE  72           H        ILE  72  -5.215   6.239 -12.744
  581    HA   ILE  72           HA       ILE  72  -6.523   8.096 -14.685
  582    HB   ILE  72           HB       ILE  72  -5.689   9.908 -13.367
  583   HG12  ILE  72          1HG1      ILE  72  -4.498   7.964 -11.371
  584   HG13  ILE  72          2HG1      ILE  72  -3.524   8.713 -12.629
  585   HG21  ILE  72          1HG2      ILE  72  -7.822   8.761 -12.756
  586   HG22  ILE  72          2HG2      ILE  72  -6.942   7.810 -11.540
  587   HG23  ILE  72          3HG2      ILE  72  -7.058   9.574 -11.387
  588   HD11  ILE  72          3HD1      ILE  72  -3.296   9.956 -10.568
  589   HD12  ILE  72          1HD1      ILE  72  -4.146  10.961 -11.759
  590   HD13  ILE  72          2HD1      ILE  72  -5.047  10.178 -10.441
  591    H    ASN  73           H        ASN  73  -3.993   6.157 -15.040
  592    HA   ASN  73           HA       ASN  73  -2.361   5.985 -16.528
  593    HB2  ASN  73           1HB      ASN  73  -3.358   8.562 -17.793
  594    HB3  ASN  73           2HB      ASN  73  -2.391   7.306 -18.547
  595   HD21  ASN  73          2HD2      ASN  73  -5.571   8.400 -18.125
  596   HD22  ASN  73          1HD2      ASN  73  -6.387   6.927 -18.627
  597    H    GLU  74           H        GLU  74  -1.888   7.690 -14.057
  598    HA   GLU  74           HA       GLU  74   0.455   9.330 -14.850
  599    HB2  GLU  74           1HB      GLU  74  -0.971   8.917 -12.198
  600    HB3  GLU  74           2HB      GLU  74   0.461   9.914 -12.406
  601    HG2  GLU  74           1HG      GLU  74  -2.214  10.384 -13.770
  602    HG3  GLU  74           2HG      GLU  74  -1.563  11.282 -12.404
  603    H    VAL  75           H        VAL  75  -0.101   6.116 -14.015
  604    HA   VAL  75           HA       VAL  75   2.834   5.629 -13.867
  605    HB   VAL  75           HB       VAL  75   0.729   4.226 -12.146
  606   HG11  VAL  75          1HG1      VAL  75   2.354   2.550 -12.956
  607   HG12  VAL  75          2HG1      VAL  75   3.705   3.631 -12.495
  608   HG13  VAL  75          3HG1      VAL  75   2.660   2.898 -11.261
  609   HG21  VAL  75          3HG2      VAL  75   1.947   4.979 -10.221
  610   HG22  VAL  75          1HG2      VAL  75   3.287   5.560 -11.216
  611   HG23  VAL  75          2HG2      VAL  75   1.743   6.421 -11.232
  612    H    LYS  76           H        LYS  76   3.460   3.966 -15.245
  613    HA   LYS  76           HA       LYS  76   1.381   2.625 -16.903
  614    HB2  LYS  76           1HB      LYS  76   4.418   2.455 -17.018
  615    HB3  LYS  76           2HB      LYS  76   3.287   1.713 -18.152
  616    HG2  LYS  76           1HG      LYS  76   2.409   4.008 -18.720
  617    HG3  LYS  76           2HG      LYS  76   3.689   4.711 -17.724
  618    HD2  LYS  76           1HD      LYS  76   4.100   2.941 -20.175
  619    HD3  LYS  76           2HD      LYS  76   4.251   4.703 -20.129
  620    HE2  LYS  76           1HE      LYS  76   6.097   4.499 -18.463
  621    HE3  LYS  76           2HE      LYS  76   5.972   2.736 -18.546
  622    HZ1  LYS  76           3HZ      LYS  76   7.723   3.560 -19.999
  623    HZ2  LYS  76           1HZ      LYS  76   6.552   2.871 -20.906
  624    HZ3  LYS  76           2HZ      LYS  76   6.676   4.501 -20.826
  625    H    SER  77           H        SER  77   0.661   0.585 -16.459
  626    HA   SER  77           HA       SER  77   1.191  -0.751 -14.034
  627    HB2  SER  77           1HB      SER  77   0.057  -2.690 -15.138
  628    HB3  SER  77           2HB      SER  77  -0.825  -1.159 -15.230
  629    HG   SER  77           HG       SER  77  -0.774  -2.282 -17.265
  630    H    GLU  78           H        GLU  78   2.793  -1.174 -17.172
  631    HA   GLU  78           HA       GLU  78   4.188  -3.570 -16.681
  632    HB2  GLU  78           1HB      GLU  78   5.044  -1.184 -18.371
  633    HB3  GLU  78           2HB      GLU  78   5.714  -2.817 -18.473
  634    HG2  GLU  78           1HG      GLU  78   3.430  -3.678 -19.063
  635    HG3  GLU  78           2HG      GLU  78   2.842  -2.015 -19.107
  636    H    GLU  79           H        GLU  79   4.818  -0.438 -15.280
  637    HA   GLU  79           HA       GLU  79   7.593  -1.102 -14.488
  638    HB2  GLU  79           1HB      GLU  79   5.804   1.291 -13.898
  639    HB3  GLU  79           2HB      GLU  79   7.481   1.136 -13.422
  640    HG2  GLU  79           1HG      GLU  79   6.446   1.233 -16.289
  641    HG3  GLU  79           2HG      GLU  79   7.212   2.554 -15.420
  642    H    VAL  80           H        VAL  80   4.444  -1.631 -13.212
  643    HA   VAL  80           HA       VAL  80   5.009  -0.972 -10.453
  644    HB   VAL  80           HB       VAL  80   2.646  -2.493 -11.611
  645   HG11  VAL  80          1HG1      VAL  80   2.804  -2.975  -9.226
  646   HG12  VAL  80          2HG1      VAL  80   3.101  -1.264  -8.862
  647   HG13  VAL  80          3HG1      VAL  80   1.518  -1.791  -9.474
  648   HG21  VAL  80          3HG2      VAL  80   1.464  -0.330 -11.383
  649   HG22  VAL  80          1HG2      VAL  80   2.971   0.442 -10.838
  650   HG23  VAL  80          2HG2      VAL  80   2.828  -0.179 -12.491
  651    HA   PRO  81           HA       PRO  81   6.734  -5.079  -9.571
  652    HB2  PRO  81           1HB      PRO  81   7.647  -4.678  -7.052
  653    HB3  PRO  81           2HB      PRO  81   8.408  -3.889  -8.470
  654    HG2  PRO  81           1HG      PRO  81   6.347  -2.725  -6.574
  655    HG3  PRO  81           2HG      PRO  81   7.895  -1.994  -7.111
  656    HD2  PRO  81           1HD      PRO  81   5.483  -1.410  -8.294
  657    HD3  PRO  81           2HD      PRO  81   7.005  -1.455  -9.222
  658    H    ALA  82           H        ALA  82   6.146  -6.920  -8.413
  659    HA   ALA  82           HA       ALA  82   4.091  -6.884  -6.340
  660    HB1  ALA  82           1HB      ALA  82   2.746  -6.711  -8.423
  661    HB2  ALA  82           2HB      ALA  82   3.548  -8.159  -9.068
  662    HB3  ALA  82           3HB      ALA  82   2.496  -8.280  -7.641
  663    H    VAL  83           H        VAL  83   3.652  -9.120  -5.522
  664    HA   VAL  83           HA       VAL  83   5.970 -10.468  -4.901
  665    HB   VAL  83           HB       VAL  83   3.650 -10.252  -3.777
  666   HG11  VAL  83          1HG1      VAL  83   2.316 -11.411  -5.538
  667   HG12  VAL  83          2HG1      VAL  83   3.121 -12.938  -5.103
  668   HG13  VAL  83          3HG1      VAL  83   2.114 -12.096  -3.916
  669   HG21  VAL  83          3HG2      VAL  83   4.100 -12.110  -2.320
  670   HG22  VAL  83          1HG2      VAL  83   5.182 -12.844  -3.530
  671   HG23  VAL  83          2HG2      VAL  83   5.592 -11.271  -2.793
  672    H    GLY  84           H        GLY  84   4.232 -10.905  -7.800
  673    HA2  GLY  84           1HA      GLY  84   5.055 -12.227  -9.601
  674    HA3  GLY  84           2HA      GLY  84   5.673 -13.445  -8.474
  675    H    ILE  85           H        ILE  85   3.728 -13.415 -10.835
  676    HA   ILE  85           HA       ILE  85   1.527 -15.023  -9.612
  677    HB   ILE  85           HB       ILE  85   1.188 -12.922 -11.799
  678   HG12  ILE  85          1HG1      ILE  85   0.291 -12.903  -8.883
  679   HG13  ILE  85          2HG1      ILE  85   1.486 -11.837  -9.621
  680   HG21  ILE  85          1HG2      ILE  85  -0.303 -14.891 -12.100
  681   HG22  ILE  85          2HG2      ILE  85  -0.886 -14.702 -10.430
  682   HG23  ILE  85          3HG2      ILE  85  -1.218 -13.468 -11.665
  683   HD11  ILE  85          3HD1      ILE  85  -0.503 -10.574  -9.372
  684   HD12  ILE  85          1HD1      ILE  85  -0.302 -10.895 -11.106
  685   HD13  ILE  85          2HD1      ILE  85  -1.497 -11.810 -10.150
  686    H    VAL  86           H        VAL  86   1.133 -16.908 -10.670
  687    HA   VAL  86           HA       VAL  86   2.111 -17.316 -13.458
  688    HB   VAL  86           HB       VAL  86   2.512 -19.315 -11.204
  689   HG11  VAL  86          1HG1      VAL  86   1.937 -20.461 -13.315
  690   HG12  VAL  86          2HG1      VAL  86   3.147 -19.498 -14.190
  691   HG13  VAL  86          3HG1      VAL  86   3.650 -20.676 -12.960
  692   HG21  VAL  86          3HG2      VAL  86   4.927 -19.060 -11.718
  693   HG22  VAL  86          1HG2      VAL  86   4.546 -17.751 -12.857
  694   HG23  VAL  86          2HG2      VAL  86   4.227 -17.556 -11.116
  695    HA   PRO  87           HA       PRO  87  -2.307 -18.302 -13.380
  696    HB2  PRO  87           1HB      PRO  87  -1.728 -18.851 -16.295
  697    HB3  PRO  87           2HB      PRO  87  -3.110 -17.973 -15.567
  698    HG2  PRO  87           1HG      PRO  87  -1.061 -16.594 -16.670
  699    HG3  PRO  87           2HG      PRO  87  -1.738 -16.068 -15.093
  700    HD2  PRO  87           1HD      PRO  87   0.756 -17.715 -15.610
  701    HD3  PRO  87           2HD      PRO  87   0.524 -16.317 -14.514
  702    HA   PRO  88           HA       PRO  88  -2.013 -22.770 -13.167
  703    HB2  PRO  88           1HB      PRO  88  -4.656 -23.506 -13.068
  704    HB3  PRO  88           2HB      PRO  88  -3.793 -22.714 -11.714
  705    HG2  PRO  88           1HG      PRO  88  -5.560 -21.409 -13.808
  706    HG3  PRO  88           2HG      PRO  88  -5.602 -21.187 -12.030
  707    HD2  PRO  88           1HD      PRO  88  -4.312 -19.452 -13.689
  708    HD3  PRO  88           2HD      PRO  88  -3.658 -19.849 -12.071
  709    HA   PRO  89           HA       PRO  89  -2.367 -23.648 -17.574
  710    HB2  PRO  89           1HB      PRO  89  -1.334 -26.173 -17.686
  711    HB3  PRO  89           2HB      PRO  89  -0.335 -24.731 -17.331
  712    HG2  PRO  89           1HG      PRO  89  -1.569 -26.671 -15.345
  713    HG3  PRO  89           2HG      PRO  89   0.129 -26.097 -15.419
  714    HD2  PRO  89           1HD      PRO  89  -1.706 -24.954 -13.761
  715    HD3  PRO  89           2HD      PRO  89  -0.458 -23.967 -14.582
  716    H    SER  90           H        SER  90  -4.005 -25.576 -15.115
  717    HA   SER  90           HA       SER  90  -5.837 -26.875 -17.026
  718    HB2  SER  90           1HB      SER  90  -6.791 -27.796 -14.887
  719    HB3  SER  90           2HB      SER  90  -5.095 -28.199 -15.184
  720    HG   SER  90           HG       SER  90  -5.485 -27.508 -13.001
  721    H    GLY  91           H        GLY  91  -5.621 -23.790 -15.830
  722    HA2  GLY  91           1HA      GLY  91  -7.140 -22.036 -16.004
  723    HA3  GLY  91           2HA      GLY  91  -8.488 -23.173 -16.208
  724    HA   PRO  92           HA       PRO  92  -8.161 -21.392 -11.800
  725    HB2  PRO  92           1HB      PRO  92 -10.205 -19.568 -11.797
  726    HB3  PRO  92           2HB      PRO  92  -8.541 -19.182 -12.330
  727    HG2  PRO  92           1HG      PRO  92 -10.923 -19.925 -14.057
  728    HG3  PRO  92           2HG      PRO  92  -9.776 -18.566 -14.277
  729    HD2  PRO  92           1HD      PRO  92  -9.497 -20.916 -15.628
  730    HD3  PRO  92           2HD      PRO  92  -8.070 -20.004 -15.046
  731    H    SER  93           H        SER  93  -9.206 -22.494 -10.228
  732    HA   SER  93           HA       SER  93 -11.964 -23.337 -10.273
  733    HB2  SER  93           1HB      SER  93 -11.536 -25.768 -10.445
  734    HB3  SER  93           2HB      SER  93 -11.199 -24.919 -11.951
  735    HG   SER  93           HG       SER  93  -8.973 -25.010 -11.463
  736    H    SER  94           H        SER  94 -12.437 -24.861  -8.400
  737    HA   SER  94           HA       SER  94 -10.509 -25.162  -6.270
  738    HB2  SER  94           1HB      SER  94 -11.623 -23.728  -4.618
  739    HB3  SER  94           2HB      SER  94 -10.928 -22.784  -5.934
  740    HG   SER  94           HG       SER  94 -13.022 -22.593  -6.843
  741    H    GLY  95           H        GLY  95 -11.500 -26.147  -4.308
  742    HA2  GLY  95           1HA      GLY  95 -14.158 -27.202  -4.218
  743    HA3  GLY  95           2HA      GLY  95 -13.080 -28.411  -4.916
  Start of MODEL   17
    1    H1   GLY  -3           1H       GLY  -3  10.847  -8.596   1.544
    2    H2   GLY  -3           2H       GLY  -3  10.099  -7.204   1.118
    3    H3   GLY  -3           3H       GLY  -3  10.995  -8.021   0.014
    4    HA2  GLY  -3           1HA      GLY  -3  13.021  -7.604   1.257
    5    HA3  GLY  -3           2HA      GLY  -3  12.215  -6.099   0.772
    6    H    SER  -2           H        SER  -2  13.537  -5.198   2.595
    7    HA   SER  -2           HA       SER  -2  12.636  -5.854   5.331
    8    HB2  SER  -2           1HB      SER  -2  14.448  -4.263   5.952
    9    HB3  SER  -2           2HB      SER  -2  14.989  -5.634   4.971
   10    HG   SER  -2           HG       SER  -2  15.874  -3.622   4.240
   11    H    SER  -1           H        SER  -1  11.829  -3.461   2.939
   12    HA   SER  -1           HA       SER  -1  10.598  -1.640   4.954
   13    HB2  SER  -1           1HB      SER  -1  10.601  -0.040   3.054
   14    HB3  SER  -1           2HB      SER  -1  12.217  -0.639   3.463
   15    HG   SER  -1           HG       SER  -1  11.910  -0.691   1.204
   16    H    GLY   0           H        GLY   0   9.621  -4.202   3.076
   17    HA2  GLY   0           1HA      GLY   0   6.849  -4.013   3.285
   18    HA3  GLY   0           2HA      GLY   0   7.248  -3.203   1.777
   19    H    SER   1           H        SER   1   5.775  -5.189   1.182
   20    HA   SER   1           HA       SER   1   6.978  -7.832   1.257
   21    HB2  SER   1           1HB      SER   1   5.030  -8.489  -0.109
   22    HB3  SER   1           2HB      SER   1   4.605  -7.611   1.368
   23    HG   SER   1           HG       SER   1   3.403  -6.865  -0.434
   24    H    SER   2           H        SER   2   5.904  -6.185  -1.722
   25    HA   SER   2           HA       SER   2   8.063  -7.438  -3.299
   26    HB2  SER   2           1HB      SER   2   6.776  -6.510  -5.194
   27    HB3  SER   2           2HB      SER   2   5.745  -7.439  -4.092
   28    HG   SER   2           HG       SER   2   4.817  -5.389  -4.698
   29    H    GLY   3           H        GLY   3   7.944  -4.621  -1.522
   30    HA2  GLY   3           1HA      GLY   3   9.441  -2.787  -1.511
   31    HA3  GLY   3           2HA      GLY   3   9.947  -3.169  -3.177
   32    H    ILE   4           H        ILE   4   6.574  -3.226  -2.982
   33    HA   ILE   4           HA       ILE   4   6.163  -0.989  -4.634
   34    HB   ILE   4           HB       ILE   4   4.689  -2.936  -4.457
   35   HG12  ILE   4          1HG1      ILE   4   2.495  -1.842  -4.500
   36   HG13  ILE   4          2HG1      ILE   4   3.204  -0.328  -3.953
   37   HG21  ILE   4          1HG2      ILE   4   4.718  -3.219  -1.978
   38   HG22  ILE   4          2HG2      ILE   4   3.711  -1.762  -1.829
   39   HG23  ILE   4          3HG2      ILE   4   3.088  -3.209  -2.646
   40   HD11  ILE   4          3HD1      ILE   4   2.806  -0.444  -6.411
   41   HD12  ILE   4          1HD1      ILE   4   4.525  -0.218  -6.048
   42   HD13  ILE   4          2HD1      ILE   4   3.910  -1.820  -6.524
   43    H    LYS   5           H        LYS   5   6.216  -1.031  -1.112
   44    HA   LYS   5           HA       LYS   5   5.225   1.616  -0.572
   45    HB2  LYS   5           1HB      LYS   5   5.748  -0.321   0.999
   46    HB3  LYS   5           2HB      LYS   5   7.443   0.103   0.867
   47    HG2  LYS   5           1HG      LYS   5   5.199   1.827   2.016
   48    HG3  LYS   5           2HG      LYS   5   6.448   0.962   2.910
   49    HD2  LYS   5           1HD      LYS   5   8.132   2.423   1.536
   50    HD3  LYS   5           2HD      LYS   5   6.736   3.468   1.228
   51    HE2  LYS   5           1HE      LYS   5   7.848   2.666   3.946
   52    HE3  LYS   5           2HE      LYS   5   8.129   4.201   3.113
   53    HZ1  LYS   5           3HZ      LYS   5   6.415   4.560   4.675
   54    HZ2  LYS   5           1HZ      LYS   5   5.649   4.526   3.230
   55    HZ3  LYS   5           2HZ      LYS   5   5.573   3.244   4.265
   56    H    ASN   6           H        ASN   6   8.559   0.475  -1.267
   57    HA   ASN   6           HA       ASN   6   9.676   3.138  -1.384
   58    HB2  ASN   6           1HB      ASN   6  10.971   1.102  -0.792
   59    HB3  ASN   6           2HB      ASN   6  10.763   0.500  -2.438
   60   HD21  ASN   6          2HD2      ASN   6  12.626   0.810  -3.634
   61   HD22  ASN   6          1HD2      ASN   6  13.669   2.213  -3.489
   62    H    PHE   7           H        PHE   7   8.122   1.046  -3.805
   63    HA   PHE   7           HA       PHE   7   9.008   2.464  -6.143
   64    HB2  PHE   7           1HB      PHE   7   7.955   0.226  -6.208
   65    HB3  PHE   7           2HB      PHE   7   6.447   0.924  -5.643
   66    HD1  PHE   7           2HD      PHE   7   8.821   0.856  -8.508
   67    HD2  PHE   7           1HD      PHE   7   4.932   2.062  -7.103
   68    HE1  PHE   7           2HE      PHE   7   8.130   1.356 -10.841
   69    HE2  PHE   7           1HE      PHE   7   4.242   2.562  -9.432
   70    HZ   PHE   7           HZ       PHE   7   5.835   2.200 -11.310
   71    H    LEU   8           H        LEU   8   6.028   2.865  -4.118
   72    HA   LEU   8           HA       LEU   8   5.068   5.144  -5.559
   73    HB2  LEU   8           1HB      LEU   8   3.703   3.764  -4.005
   74    HB3  LEU   8           2HB      LEU   8   4.671   4.351  -2.642
   75    HG   LEU   8           HG       LEU   8   3.844   6.618  -2.934
   76   HD11  LEU   8          1HD1      LEU   8   3.569   6.768  -5.377
   77   HD12  LEU   8          2HD1      LEU   8   2.258   5.570  -5.323
   78   HD13  LEU   8          3HD1      LEU   8   2.061   7.172  -4.570
   79   HD21  LEU   8          3HD2      LEU   8   1.485   6.247  -2.361
   80   HD22  LEU   8          1HD2      LEU   8   1.554   4.610  -3.048
   81   HD23  LEU   8          2HD2      LEU   8   2.504   5.012  -1.601
   82    H    TYR   9           H        TYR   9   7.216   4.905  -2.697
   83    HA   TYR   9           HA       TYR   9   7.517   7.688  -2.289
   84    HB2  TYR   9           1HB      TYR   9   8.148   5.814  -0.733
   85    HB3  TYR   9           2HB      TYR   9   9.564   5.512  -1.729
   86    HD1  TYR   9           2HD      TYR   9  11.447   7.142  -1.775
   87    HD2  TYR   9           1HD      TYR   9   7.986   7.756   0.721
   88    HE1  TYR   9           2HE      TYR   9  12.671   8.902  -0.517
   89    HE2  TYR   9           1HE      TYR   9   9.207   9.519   1.985
   90    HH   TYR   9           HH       TYR   9  12.584  10.444   1.191
   91    H    ALA  10           H        ALA  10   9.478   5.497  -4.349
   92    HA   ALA  10           HA       ALA  10  11.294   7.534  -5.284
   93    HB1  ALA  10           1HB      ALA  10  11.815   5.116  -5.281
   94    HB2  ALA  10           2HB      ALA  10  10.525   4.827  -6.472
   95    HB3  ALA  10           3HB      ALA  10  11.947   5.798  -6.913
   96    H    TRP  11           H        TRP  11   8.198   6.275  -6.609
   97    HA   TRP  11           HA       TRP  11   8.185   7.784  -9.036
   98    HB2  TRP  11           1HB      TRP  11   6.665   5.930  -8.580
   99    HB3  TRP  11           2HB      TRP  11   5.938   6.792  -7.244
  100    HD1  TRP  11           HD       TRP  11   5.910   6.656 -11.050
  101    HE1  TRP  11           1HE      TRP  11   3.877   7.955 -11.929
  102    HE3  TRP  11           3HE      TRP  11   4.332   8.761  -6.664
  103    HZ2  TRP  11           2HZ      TRP  11   2.037   9.944 -10.902
  104    HZ3  TRP  11           3HZ      TRP  11   2.409  10.319  -6.632
  105    HH2  TRP  11           HH       TRP  11   1.254  10.924  -8.748
  106    H    CYS  12           H        CYS  12   6.861   8.573  -5.805
  107    HA   CYS  12           HA       CYS  12   6.069  11.270  -6.334
  108    HB2  CYS  12           1HB      CYS  12   7.109   9.921  -3.804
  109    HB3  CYS  12           2HB      CYS  12   6.433  11.550  -3.846
  110    HG   CYS  12           HG       CYS  12   5.005   8.669  -4.536
  111    H    GLY  13           H        GLY  13   9.251  10.040  -5.190
  112    HA2  GLY  13           1HA      GLY  13  10.520  12.565  -4.947
  113    HA3  GLY  13           2HA      GLY  13  11.341  10.997  -5.125
  114    H    LYS  14           H        LYS  14  10.092  10.561  -7.838
  115    HA   LYS  14           HA       LYS  14  11.951  12.160  -9.477
  116    HB2  LYS  14           1HB      LYS  14   9.971   9.926 -10.052
  117    HB3  LYS  14           2HB      LYS  14  10.870  10.756 -11.329
  118    HG2  LYS  14           1HG      LYS  14  13.013  10.145 -10.308
  119    HG3  LYS  14           2HG      LYS  14  12.197   9.308  -8.992
  120    HD2  LYS  14           1HD      LYS  14  12.004   8.560 -11.943
  121    HD3  LYS  14           2HD      LYS  14  13.056   7.783 -10.749
  122    HE2  LYS  14           1HE      LYS  14  11.042   7.145  -9.409
  123    HE3  LYS  14           2HE      LYS  14  10.005   7.852 -10.655
  124    HZ1  LYS  14           3HZ      LYS  14  10.251   5.460 -10.969
  125    HZ2  LYS  14           1HZ      LYS  14  10.917   6.244 -12.239
  126    HZ3  LYS  14           2HZ      LYS  14  11.875   5.588 -11.089
  127    H    ARG  15           H        ARG  15   8.906  12.720  -8.257
  128    HA   ARG  15           HA       ARG  15   8.153  14.684 -10.382
  129    HB2  ARG  15           1HB      ARG  15   6.426  13.084  -8.456
  130    HB3  ARG  15           2HB      ARG  15   5.830  14.308  -9.588
  131    HG2  ARG  15           1HG      ARG  15   6.645  12.933 -11.498
  132    HG3  ARG  15           2HG      ARG  15   7.232  11.717 -10.385
  133    HD2  ARG  15           1HD      ARG  15   5.152  10.947 -11.203
  134    HD3  ARG  15           2HD      ARG  15   4.924  11.387  -9.516
  135    HE   ARG  15           HE       ARG  15   3.876  13.508 -10.283
  136   HH11  ARG  15          1HH1      ARG  15   3.901  10.872 -12.708
  137   HH12  ARG  15          2HH1      ARG  15   2.465  11.558 -13.463
  138   HH21  ARG  15          1HH2      ARG  15   2.068  14.237 -11.458
  139   HH22  ARG  15          2HH2      ARG  15   1.530  13.258 -12.821
  140    H    LYS  16           H        LYS  16   9.742  14.754  -7.603
  141    HA   LYS  16           HA       LYS  16  10.155  16.218  -5.939
  142    HB2  LYS  16           1HB      LYS  16   8.540  18.219  -7.571
  143    HB3  LYS  16           2HB      LYS  16   9.659  18.587  -6.261
  144    HG2  LYS  16           1HG      LYS  16  11.528  17.580  -7.561
  145    HG3  LYS  16           2HG      LYS  16  10.416  17.287  -8.914
  146    HD2  LYS  16           1HD      LYS  16   9.952  19.718  -9.066
  147    HD3  LYS  16           2HD      LYS  16  11.074  20.016  -7.719
  148    HE2  LYS  16           1HE      LYS  16  12.925  19.010  -9.046
  149    HE3  LYS  16           2HE      LYS  16  11.809  18.719 -10.387
  150    HZ1  LYS  16           3HZ      LYS  16  13.069  20.763 -10.711
  151    HZ2  LYS  16           1HZ      LYS  16  11.486  21.127 -10.550
  152    HZ3  LYS  16           2HZ      LYS  16  12.518  21.394  -9.309
  153    H    MET  17           H        MET  17   7.945  14.457  -5.586
  154    HA   MET  17           HA       MET  17   6.284  15.901  -3.542
  155    HB2  MET  17           1HB      MET  17   5.579  13.481  -5.259
  156    HB3  MET  17           2HB      MET  17   4.551  14.174  -4.005
  157    HG2  MET  17           1HG      MET  17   4.571  16.348  -5.286
  158    HG3  MET  17           2HG      MET  17   5.383  15.503  -6.601
  159    HE1  MET  17           3HE      MET  17   2.639  12.855  -7.669
  160    HE2  MET  17           1HE      MET  17   4.333  13.349  -7.809
  161    HE3  MET  17           2HE      MET  17   3.753  12.556  -6.329
  162    H    THR  18           H        THR  18   5.422  14.350  -1.894
  163    HA   THR  18           HA       THR  18   7.134  12.021  -1.213
  164    HB   THR  18           HB       THR  18   6.419  14.197   0.795
  165    HG1  THR  18           1HG      THR  18   8.633  14.645   0.733
  166   HG21  THR  18          3HG2      THR  18   7.995  12.962   2.268
  167   HG22  THR  18          1HG2      THR  18   6.624  11.946   1.816
  168   HG23  THR  18          2HG2      THR  18   8.196  11.717   1.016
  169    HA   PRO  19           HA       PRO  19   2.849  10.725  -0.485
  170    HB2  PRO  19           1HB      PRO  19   3.199   8.114   0.168
  171    HB3  PRO  19           2HB      PRO  19   3.493   8.719  -1.492
  172    HG2  PRO  19           1HG      PRO  19   5.530   8.241   0.705
  173    HG3  PRO  19           2HG      PRO  19   5.602   7.713  -1.005
  174    HD2  PRO  19           1HD      PRO  19   6.836   9.989  -0.055
  175    HD3  PRO  19           2HD      PRO  19   6.203   9.869  -1.717
  176    H    ALA  20           H        ALA  20   1.482  10.502   1.265
  177    HA   ALA  20           HA       ALA  20   2.709  10.585   4.002
  178    HB1  ALA  20           1HB      ALA  20   1.773  12.746   3.301
  179    HB2  ALA  20           2HB      ALA  20   0.216  11.970   2.928
  180    HB3  ALA  20           3HB      ALA  20   0.805  12.024   4.603
  181    H    TYR  21           H        TYR  21   2.325   8.838   5.125
  182    HA   TYR  21           HA       TYR  21   0.046   7.042   4.488
  183    HB2  TYR  21           1HB      TYR  21   2.639   6.613   6.012
  184    HB3  TYR  21           2HB      TYR  21   1.360   5.422   5.909
  185    HD1  TYR  21           1HD      TYR  21   3.883   7.283   3.875
  186    HD2  TYR  21           2HD      TYR  21   1.084   4.007   4.011
  187    HE1  TYR  21           1HE      TYR  21   4.865   6.351   1.786
  188    HE2  TYR  21           2HE      TYR  21   2.090   3.050   1.951
  189    HH   TYR  21           HH       TYR  21   3.673   3.327   0.296
  190    H    GLU  22           H        GLU  22  -1.190   6.066   6.176
  191    HA   GLU  22           HA       GLU  22  -0.951   7.059   8.932
  192    HB2  GLU  22           1HB      GLU  22  -2.490   8.673   7.829
  193    HB3  GLU  22           2HB      GLU  22  -3.532   7.341   7.332
  194    HG2  GLU  22           1HG      GLU  22  -4.443   8.515   9.268
  195    HG3  GLU  22           2HG      GLU  22  -4.081   6.846   9.675
  196    H    ILE  23           H        ILE  23  -2.033   5.661  10.475
  197    HA   ILE  23           HA       ILE  23  -2.721   2.929   9.471
  198    HB   ILE  23           HB       ILE  23  -0.405   3.646  11.305
  199   HG12  ILE  23          1HG1      ILE  23  -0.591   2.131   8.661
  200   HG13  ILE  23          2HG1      ILE  23   0.105   3.734   8.907
  201   HG21  ILE  23          1HG2      ILE  23  -1.578   1.735  12.340
  202   HG22  ILE  23          2HG2      ILE  23  -1.519   0.851  10.794
  203   HG23  ILE  23          3HG2      ILE  23  -0.038   1.240  11.694
  204   HD11  ILE  23          3HD1      ILE  23   1.914   2.248   8.667
  205   HD12  ILE  23          1HD1      ILE  23   1.857   2.687  10.385
  206   HD13  ILE  23          2HD1      ILE  23   1.250   1.099   9.834
  207    H    ARG  24           H        ARG  24  -3.951   1.668  10.806
  208    HA   ARG  24           HA       ARG  24  -4.866   2.732  13.435
  209    HB2  ARG  24           1HB      ARG  24  -6.455   3.455  11.617
  210    HB3  ARG  24           2HB      ARG  24  -6.733   1.748  11.250
  211    HG2  ARG  24           1HG      ARG  24  -7.624   1.391  13.533
  212    HG3  ARG  24           2HG      ARG  24  -7.314   3.094  13.923
  213    HD2  ARG  24           1HD      ARG  24  -8.906   3.774  12.127
  214    HD3  ARG  24           2HD      ARG  24  -9.167   2.078  11.723
  215    HE   ARG  24           HE       ARG  24 -10.498   1.782  13.591
  216   HH11  ARG  24          1HH1      ARG  24  -9.031   4.995  13.862
  217   HH12  ARG  24          2HH1      ARG  24 -10.087   5.461  15.163
  218   HH21  ARG  24          1HH2      ARG  24 -11.817   2.449  15.264
  219   HH22  ARG  24          2HH2      ARG  24 -11.636   4.037  15.944
  220    H    ALA  25           H        ALA  25  -5.165   1.178  14.924
  221    HA   ALA  25           HA       ALA  25  -4.467  -1.624  14.282
  222    HB1  ALA  25           1HB      ALA  25  -3.442  -0.509  16.232
  223    HB2  ALA  25           2HB      ALA  25  -5.054  -0.252  16.942
  224    HB3  ALA  25           3HB      ALA  25  -4.429  -1.900  16.728
  225    H    VAL  26           H        VAL  26  -5.841  -3.340  14.324
  226    HA   VAL  26           HA       VAL  26  -8.669  -3.074  15.190
  227    HB   VAL  26           HB       VAL  26  -9.497  -4.043  13.074
  228   HG11  VAL  26          1HG1      VAL  26  -9.618  -1.593  13.481
  229   HG12  VAL  26          2HG1      VAL  26  -8.107  -1.390  12.561
  230   HG13  VAL  26          3HG1      VAL  26  -9.558  -2.035  11.770
  231   HG21  VAL  26          3HG2      VAL  26  -8.165  -4.002  11.022
  232   HG22  VAL  26          1HG2      VAL  26  -6.736  -3.446  11.916
  233   HG23  VAL  26          2HG2      VAL  26  -7.413  -5.061  12.217
  234    H    GLY  27           H        GLY  27  -9.787  -5.346  14.755
  235    HA2  GLY  27           1HA      GLY  27  -9.712  -7.706  14.950
  236    HA3  GLY  27           2HA      GLY  27  -7.962  -7.645  15.227
  237    H    ASN  28           H        ASN  28  -8.026  -8.950  17.027
  238    HA   ASN  28           HA       ASN  28  -9.400  -7.897  19.472
  239    HB2  ASN  28           1HB      ASN  28 -10.330 -10.042  18.478
  240    HB3  ASN  28           2HB      ASN  28  -8.781 -10.805  18.836
  241   HD21  ASN  28          2HD2      ASN  28  -9.083 -12.100  20.654
  242   HD22  ASN  28          1HD2      ASN  28 -10.004 -11.607  22.070
  243    H    LYS  29           H        LYS  29  -8.330  -8.644  21.546
  244    HA   LYS  29           HA       LYS  29  -5.742  -7.601  21.817
  245    HB2  LYS  29           1HB      LYS  29  -7.098  -9.709  23.562
  246    HB3  LYS  29           2HB      LYS  29  -5.796  -8.638  24.064
  247    HG2  LYS  29           1HG      LYS  29  -8.616  -7.755  23.295
  248    HG3  LYS  29           2HG      LYS  29  -7.994  -7.987  24.923
  249    HD2  LYS  29           1HD      LYS  29  -6.291  -6.198  24.524
  250    HD3  LYS  29           2HD      LYS  29  -6.977  -5.932  22.904
  251    HE2  LYS  29           1HE      LYS  29  -9.178  -5.393  23.922
  252    HE3  LYS  29           2HE      LYS  29  -8.507  -5.669  25.534
  253    HZ1  LYS  29           3HZ      LYS  29  -8.519  -3.315  24.976
  254    HZ2  LYS  29           1HZ      LYS  29  -6.976  -3.820  25.145
  255    HZ3  LYS  29           2HZ      LYS  29  -7.595  -3.561  23.652
  256    H    ASN  30           H        ASN  30  -6.613 -11.046  21.588
  257    HA   ASN  30           HA       ASN  30  -3.850 -11.953  21.679
  258    HB2  ASN  30           1HB      ASN  30  -4.733 -14.148  21.471
  259    HB3  ASN  30           2HB      ASN  30  -5.734 -13.253  22.607
  260   HD21  ASN  30          2HD2      ASN  30  -6.471 -15.706  21.205
  261   HD22  ASN  30          1HD2      ASN  30  -7.860 -15.294  20.214
  262    H    ARG  31           H        ARG  31  -6.084 -11.254  19.092
  263    HA   ARG  31           HA       ARG  31  -4.046 -11.884  16.991
  264    HB2  ARG  31           1HB      ARG  31  -7.041 -12.439  16.992
  265    HB3  ARG  31           2HB      ARG  31  -6.014 -12.498  15.554
  266    HG2  ARG  31           1HG      ARG  31  -4.608 -14.249  16.615
  267    HG3  ARG  31           2HG      ARG  31  -5.661 -14.229  18.041
  268    HD2  ARG  31           1HD      ARG  31  -7.593 -14.874  16.631
  269    HD3  ARG  31           2HD      ARG  31  -6.552 -14.934  15.209
  270    HE   ARG  31           HE       ARG  31  -6.749 -16.883  17.387
  271   HH11  ARG  31          1HH1      ARG  31  -4.663 -15.849  14.717
  272   HH12  ARG  31          2HH1      ARG  31  -3.854 -17.386  14.642
  273   HH21  ARG  31          1HH2      ARG  31  -5.660 -18.828  17.236
  274   HH22  ARG  31          2HH2      ARG  31  -4.409 -19.043  16.051
  275    H    GLN  32           H        GLN  32  -3.416  -9.683  17.250
  276    HA   GLN  32           HA       GLN  32  -5.339  -7.576  16.468
  277    HB2  GLN  32           1HB      GLN  32  -3.878  -7.369  18.490
  278    HB3  GLN  32           2HB      GLN  32  -2.458  -7.345  17.433
  279    HG2  GLN  32           1HG      GLN  32  -3.284  -5.294  16.341
  280    HG3  GLN  32           2HG      GLN  32  -4.765  -5.342  17.302
  281   HE21  GLN  32          2HE2      GLN  32  -2.181  -3.478  17.078
  282   HE22  GLN  32          1HE2      GLN  32  -1.863  -3.170  18.781
  283    H    LYS  33           H        LYS  33  -5.077  -6.243  14.742
  284    HA   LYS  33           HA       LYS  33  -3.049  -6.795  12.636
  285    HB2  LYS  33           1HB      LYS  33  -6.091  -6.896  12.404
  286    HB3  LYS  33           2HB      LYS  33  -5.045  -6.611  11.015
  287    HG2  LYS  33           1HG      LYS  33  -3.851  -8.788  11.579
  288    HG3  LYS  33           2HG      LYS  33  -5.090  -9.081  12.808
  289    HD2  LYS  33           1HD      LYS  33  -6.838  -9.055  11.063
  290    HD3  LYS  33           2HD      LYS  33  -5.607  -8.695   9.827
  291    HE2  LYS  33           1HE      LYS  33  -4.425 -10.810  10.385
  292    HE3  LYS  33           2HE      LYS  33  -5.650 -11.178  11.606
  293    HZ1  LYS  33           3HZ      LYS  33  -6.108 -12.327   9.528
  294    HZ2  LYS  33           1HZ      LYS  33  -7.307 -11.259   9.820
  295    HZ3  LYS  33           2HZ      LYS  33  -6.168 -10.927   8.692
  296    H    PHE  34           H        PHE  34  -3.208  -5.118  10.880
  297    HA   PHE  34           HA       PHE  34  -3.825  -2.409  11.962
  298    HB2  PHE  34           1HB      PHE  34  -1.235  -3.303  10.643
  299    HB3  PHE  34           2HB      PHE  34  -1.637  -1.658  11.110
  300    HD1  PHE  34           2HD      PHE  34  -1.970  -1.093  13.571
  301    HD2  PHE  34           1HD      PHE  34  -0.365  -4.870  12.251
  302    HE1  PHE  34           2HE      PHE  34  -1.094  -1.519  15.855
  303    HE2  PHE  34           1HE      PHE  34   0.517  -5.294  14.530
  304    HZ   PHE  34           HZ       PHE  34   0.156  -3.626  16.338
  305    H    MET  35           H        MET  35  -4.948  -1.245  10.635
  306    HA   MET  35           HA       MET  35  -5.090  -1.773   7.708
  307    HB2  MET  35           1HB      MET  35  -6.621   0.286   9.350
  308    HB3  MET  35           2HB      MET  35  -6.895  -0.179   7.671
  309    HG2  MET  35           1HG      MET  35  -7.358  -2.559   8.594
  310    HG3  MET  35           2HG      MET  35  -7.388  -1.792  10.179
  311    HE1  MET  35           3HE      MET  35 -10.488  -1.303   6.794
  312    HE2  MET  35           1HE      MET  35  -8.806  -0.785   6.568
  313    HE3  MET  35           2HE      MET  35  -9.177  -2.500   6.864
  314    H    CYS  36           H        CYS  36  -4.645  -0.031   6.239
  315    HA   CYS  36           HA       CYS  36  -3.113   2.274   7.275
  316    HB2  CYS  36           1HB      CYS  36  -1.504   0.413   6.933
  317    HB3  CYS  36           2HB      CYS  36  -2.024   0.283   5.238
  318    HG   CYS  36           HG       CYS  36  -0.977   3.091   6.689
  319    H    GLU  37           H        GLU  37  -3.063   4.023   5.990
  320    HA   GLU  37           HA       GLU  37  -4.498   4.016   3.377
  321    HB2  GLU  37           1HB      GLU  37  -4.521   6.189   5.514
  322    HB3  GLU  37           2HB      GLU  37  -5.112   6.377   3.862
  323    HG2  GLU  37           1HG      GLU  37  -6.817   4.610   4.283
  324    HG3  GLU  37           2HG      GLU  37  -6.251   4.480   5.952
  325    H    VAL  38           H        VAL  38  -3.514   5.326   1.789
  326    HA   VAL  38           HA       VAL  38  -1.269   7.068   2.595
  327    HB   VAL  38           HB       VAL  38  -0.262   4.911   1.849
  328   HG11  VAL  38          1HG1      VAL  38  -1.899   4.370   0.034
  329   HG12  VAL  38          2HG1      VAL  38  -1.197   5.686  -0.936
  330   HG13  VAL  38          3HG1      VAL  38  -0.202   4.296  -0.476
  331   HG21  VAL  38          3HG2      VAL  38   1.463   5.939   0.442
  332   HG22  VAL  38          1HG2      VAL  38   0.413   7.309   0.079
  333   HG23  VAL  38          2HG2      VAL  38   0.996   7.051   1.738
  334    H    ARG  39           H        ARG  39  -1.028   8.887   1.479
  335    HA   ARG  39           HA       ARG  39  -2.852   9.551  -0.784
  336    HB2  ARG  39           1HB      ARG  39  -2.546  11.172   1.786
  337    HB3  ARG  39           2HB      ARG  39  -3.528  11.607   0.383
  338    HG2  ARG  39           1HG      ARG  39  -4.902   9.531   0.765
  339    HG3  ARG  39           2HG      ARG  39  -3.987   9.241   2.256
  340    HD2  ARG  39           1HD      ARG  39  -4.721  11.481   3.097
  341    HD3  ARG  39           2HD      ARG  39  -5.722  11.653   1.641
  342    HE   ARG  39           HE       ARG  39  -6.129   9.228   3.307
  343   HH11  ARG  39          1HH1      ARG  39  -7.405  12.442   2.533
  344   HH12  ARG  39          2HH1      ARG  39  -8.961  12.068   3.210
  345   HH21  ARG  39          1HH2      ARG  39  -8.097   8.823   4.168
  346   HH22  ARG  39          2HH2      ARG  39  -9.355  10.040   4.124
  347    H    VAL  40           H        VAL  40  -2.233  11.525  -1.885
  348    HA   VAL  40           HA       VAL  40   0.534  12.540  -1.483
  349    HB   VAL  40           HB       VAL  40  -0.482  11.526  -4.174
  350   HG11  VAL  40          1HG1      VAL  40   1.014  13.461  -4.434
  351   HG12  VAL  40          2HG1      VAL  40   2.217  12.706  -3.364
  352   HG13  VAL  40          3HG1      VAL  40   1.840  11.992  -4.947
  353   HG21  VAL  40          3HG2      VAL  40   1.348   9.844  -4.047
  354   HG22  VAL  40          1HG2      VAL  40   1.711  10.367  -2.393
  355   HG23  VAL  40          2HG2      VAL  40   0.159   9.591  -2.769
  356    H    GLU  41           H        GLU  41   0.688  14.694  -1.900
  357    HA   GLU  41           HA       GLU  41  -1.644  16.287  -2.003
  358    HB2  GLU  41           1HB      GLU  41   0.533  16.939  -1.010
  359    HB3  GLU  41           2HB      GLU  41   1.228  17.089  -2.631
  360    HG2  GLU  41           1HG      GLU  41  -0.384  18.888  -3.167
  361    HG3  GLU  41           2HG      GLU  41  -1.165  18.679  -1.596
  362    H    GLY  42           H        GLY  42  -2.840  17.129  -3.600
  363    HA2  GLY  42           1HA      GLY  42  -3.349  17.996  -5.732
  364    HA3  GLY  42           2HA      GLY  42  -1.881  17.256  -6.412
  365    H    PHE  43           H        PHE  43  -3.365  14.865  -4.612
  366    HA   PHE  43           HA       PHE  43  -5.113  13.929  -6.857
  367    HB2  PHE  43           1HB      PHE  43  -3.301  12.277  -5.060
  368    HB3  PHE  43           2HB      PHE  43  -4.395  11.644  -6.277
  369    HD1  PHE  43           1HD      PHE  43  -3.894  11.899  -8.707
  370    HD2  PHE  43           2HD      PHE  43  -1.204  13.406  -5.695
  371    HE1  PHE  43           1HE      PHE  43  -2.118  12.162 -10.419
  372    HE2  PHE  43           2HE      PHE  43   0.553  13.690  -7.408
  373    HZ   PHE  43           HZ       PHE  43   0.108  13.057  -9.777
  374    H    ASN  44           H        ASN  44  -7.154  13.511  -6.323
  375    HA   ASN  44           HA       ASN  44  -8.097  14.023  -3.639
  376    HB2  ASN  44           1HB      ASN  44  -9.243  14.755  -5.706
  377    HB3  ASN  44           2HB      ASN  44  -9.545  13.072  -6.143
  378   HD21  ASN  44          2HD2      ASN  44 -10.254  15.562  -3.630
  379   HD22  ASN  44          1HD2      ASN  44 -11.780  14.842  -3.151
  380    H    TYR  45           H        TYR  45  -7.286  11.080  -5.331
  381    HA   TYR  45           HA       TYR  45  -8.930   9.266  -3.808
  382    HB2  TYR  45           1HB      TYR  45  -8.031   8.868  -6.100
  383    HB3  TYR  45           2HB      TYR  45  -6.412   8.729  -5.417
  384    HD1  TYR  45           1HD      TYR  45  -9.868   7.279  -5.218
  385    HD2  TYR  45           2HD      TYR  45  -5.648   6.588  -4.681
  386    HE1  TYR  45           1HE      TYR  45 -10.324   4.884  -4.728
  387    HE2  TYR  45           2HE      TYR  45  -6.100   4.187  -4.197
  388    HH   TYR  45           HH       TYR  45  -7.743   2.582  -3.801
  389    H    ALA  46           H        ALA  46  -8.243   7.645  -2.336
  390    HA   ALA  46           HA       ALA  46  -5.654   8.004  -0.922
  391    HB1  ALA  46           1HB      ALA  46  -7.381   9.126   0.452
  392    HB2  ALA  46           2HB      ALA  46  -8.375   7.656   0.425
  393    HB3  ALA  46           3HB      ALA  46  -6.798   7.644   1.241
  394    H    GLY  47           H        GLY  47  -4.574   6.165  -1.118
  395    HA2  GLY  47           1HA      GLY  47  -5.906   3.664  -1.946
  396    HA3  GLY  47           2HA      GLY  47  -4.155   3.931  -1.820
  397    H    MET  48           H        MET  48  -6.038   1.813  -0.739
  398    HA   MET  48           HA       MET  48  -5.339   2.040   2.165
  399    HB2  MET  48           1HB      MET  48  -8.017   1.137   1.042
  400    HB3  MET  48           2HB      MET  48  -7.556   1.271   2.744
  401    HG2  MET  48           1HG      MET  48  -7.123   3.755   2.291
  402    HG3  MET  48           2HG      MET  48  -7.911   3.517   0.736
  403    HE1  MET  48           3HE      MET  48 -10.540   5.597   2.645
  404    HE2  MET  48           1HE      MET  48  -8.772   5.731   2.749
  405    HE3  MET  48           2HE      MET  48  -9.549   5.430   1.179
  406    H    GLY  49           H        GLY  49  -4.962   0.258   3.323
  407    HA2  GLY  49           1HA      GLY  49  -5.087  -2.464   2.125
  408    HA3  GLY  49           2HA      GLY  49  -3.510  -1.825   2.596
  409    H    ASN  50           H        ASN  50  -4.279  -4.117   3.745
  410    HA   ASN  50           HA       ASN  50  -4.142  -3.412   6.544
  411    HB2  ASN  50           1HB      ASN  50  -6.498  -3.367   6.484
  412    HB3  ASN  50           2HB      ASN  50  -6.593  -4.765   5.407
  413   HD21  ASN  50          2HD2      ASN  50  -6.752  -6.814   6.294
  414   HD22  ASN  50          1HD2      ASN  50  -6.752  -7.102   8.028
  415    H    SER  51           H        SER  51  -3.413  -5.065   7.844
  416    HA   SER  51           HA       SER  51  -2.962  -7.779   6.984
  417    HB2  SER  51           1HB      SER  51  -1.265  -6.485   5.551
  418    HB3  SER  51           2HB      SER  51  -0.407  -6.145   7.057
  419    HG   SER  51           HG       SER  51  -0.068  -8.192   5.607
  420    H    THR  52           H        THR  52  -1.151  -8.822   8.440
  421    HA   THR  52           HA       THR  52  -1.809  -8.287  11.250
  422    HB   THR  52           HB       THR  52   0.103 -10.356  10.128
  423    HG1  THR  52           1HG      THR  52  -1.704 -11.679   9.993
  424   HG21  THR  52          3HG2      THR  52  -0.730 -11.685  12.107
  425   HG22  THR  52          1HG2      THR  52   0.194 -10.260  12.573
  426   HG23  THR  52          2HG2      THR  52  -1.580 -10.232  12.678
  427    H    ASN  53           H        ASN  53   0.504  -7.025   9.154
  428    HA   ASN  53           HA       ASN  53   1.920  -5.822  11.439
  429    HB2  ASN  53           1HB      ASN  53   4.111  -6.268  10.633
  430    HB3  ASN  53           2HB      ASN  53   3.275  -7.811  10.724
  431   HD21  ASN  53          2HD2      ASN  53   3.028  -9.024   8.774
  432   HD22  ASN  53          1HD2      ASN  53   3.642  -8.444   7.236
  433    H    LYS  54           H        LYS  54   2.981  -3.845  10.979
  434    HA   LYS  54           HA       LYS  54   1.362  -2.143   9.362
  435    HB2  LYS  54           1HB      LYS  54   4.011  -1.669  10.796
  436    HB3  LYS  54           2HB      LYS  54   3.032  -0.399  10.064
  437    HG2  LYS  54           1HG      LYS  54   1.110  -1.061  11.557
  438    HG3  LYS  54           2HG      LYS  54   2.184  -2.225  12.355
  439    HD2  LYS  54           1HD      LYS  54   3.741  -0.315  12.928
  440    HD3  LYS  54           2HD      LYS  54   2.587   0.795  12.187
  441    HE2  LYS  54           1HE      LYS  54   2.176   0.916  14.512
  442    HE3  LYS  54           2HE      LYS  54   0.837  -0.015  13.833
  443    HZ1  LYS  54           3HZ      LYS  54   1.754  -1.011  15.866
  444    HZ2  LYS  54           1HZ      LYS  54   1.939  -2.038  14.609
  445    HZ3  LYS  54           2HZ      LYS  54   3.221  -1.185  15.175
  446    H    LYS  55           H        LYS  55   4.483  -3.641   8.570
  447    HA   LYS  55           HA       LYS  55   5.060  -1.852   6.335
  448    HB2  LYS  55           1HB      LYS  55   6.162  -4.576   7.145
  449    HB3  LYS  55           2HB      LYS  55   6.734  -3.636   5.763
  450    HG2  LYS  55           1HG      LYS  55   7.327  -1.750   7.266
  451    HG3  LYS  55           2HG      LYS  55   6.784  -2.695   8.667
  452    HD2  LYS  55           1HD      LYS  55   8.486  -4.427   8.166
  453    HD3  LYS  55           2HD      LYS  55   9.026  -3.491   6.755
  454    HE2  LYS  55           1HE      LYS  55   9.599  -1.583   8.247
  455    HE3  LYS  55           2HE      LYS  55   9.073  -2.519   9.654
  456    HZ1  LYS  55           3HZ      LYS  55  11.487  -2.629   9.318
  457    HZ2  LYS  55           1HZ      LYS  55  10.830  -4.121   9.169
  458    HZ3  LYS  55           2HZ      LYS  55  11.287  -3.292   7.831
  459    H    ASP  56           H        ASP  56   3.632  -5.137   6.529
  460    HA   ASP  56           HA       ASP  56   3.150  -5.287   3.673
  461    HB2  ASP  56           1HB      ASP  56   3.425  -7.224   5.226
  462    HB3  ASP  56           2HB      ASP  56   1.857  -6.845   5.932
  463    H    ALA  57           H        ALA  57   1.256  -4.056   6.424
  464    HA   ALA  57           HA       ALA  57  -1.188  -3.588   4.956
  465    HB1  ALA  57           1HB      ALA  57  -1.015  -3.587   7.442
  466    HB2  ALA  57           2HB      ALA  57  -0.065  -2.087   7.368
  467    HB3  ALA  57           3HB      ALA  57  -1.751  -2.101   6.816
  468    H    GLN  58           H        GLN  58   1.661  -1.470   5.558
  469    HA   GLN  58           HA       GLN  58   0.834   0.712   3.873
  470    HB2  GLN  58           1HB      GLN  58   3.546  -0.339   4.771
  471    HB3  GLN  58           2HB      GLN  58   3.379   1.063   3.716
  472    HG2  GLN  58           1HG      GLN  58   2.183   2.317   5.386
  473    HG3  GLN  58           2HG      GLN  58   2.030   0.912   6.441
  474   HE21  GLN  58          2HE2      GLN  58   3.775   0.391   7.806
  475   HE22  GLN  58          1HE2      GLN  58   5.256   1.353   7.861
  476    H    SER  59           H        SER  59   2.646  -2.310   3.098
  477    HA   SER  59           HA       SER  59   3.177  -1.624   0.376
  478    HB2  SER  59           1HB      SER  59   2.721  -4.375   1.597
  479    HB3  SER  59           2HB      SER  59   3.407  -4.053   0.002
  480    HG   SER  59           HG       SER  59   4.511  -3.197   2.497
  481    H    ASN  60           H        ASN  60   0.295  -3.129   1.867
  482    HA   ASN  60           HA       ASN  60  -1.087  -3.509  -0.670
  483    HB2  ASN  60           1HB      ASN  60  -1.925  -3.590   2.239
  484    HB3  ASN  60           2HB      ASN  60  -3.126  -3.603   0.945
  485   HD21  ASN  60          2HD2      ASN  60  -0.599  -5.514   2.508
  486   HD22  ASN  60          1HD2      ASN  60  -1.001  -6.997   1.667
  487    H    ALA  61           H        ALA  61  -1.121  -0.866   1.788
  488    HA   ALA  61           HA       ALA  61  -3.088   0.747   0.465
  489    HB1  ALA  61           1HB      ALA  61  -2.337   1.041   2.830
  490    HB2  ALA  61           2HB      ALA  61  -0.758   1.611   2.240
  491    HB3  ALA  61           3HB      ALA  61  -2.225   2.544   1.895
  492    H    ALA  62           H        ALA  62   0.482   0.728   0.154
  493    HA   ALA  62           HA       ALA  62   0.665   2.760  -1.844
  494    HB1  ALA  62           1HB      ALA  62   2.543   1.915  -0.455
  495    HB2  ALA  62           2HB      ALA  62   2.478   0.362  -1.304
  496    HB3  ALA  62           3HB      ALA  62   2.919   1.840  -2.192
  497    H    ARG  63           H        ARG  63   0.478  -0.841  -2.219
  498    HA   ARG  63           HA       ARG  63   0.514  -0.823  -5.022
  499    HB2  ARG  63           1HB      ARG  63   0.753  -2.861  -3.533
  500    HB3  ARG  63           2HB      ARG  63  -0.974  -2.791  -3.219
  501    HG2  ARG  63           1HG      ARG  63  -0.491  -4.472  -4.906
  502    HG3  ARG  63           2HG      ARG  63  -1.442  -3.176  -5.620
  503    HD2  ARG  63           1HD      ARG  63   0.805  -2.211  -6.498
  504    HD3  ARG  63           2HD      ARG  63   1.544  -3.710  -5.945
  505    HE   ARG  63           HE       ARG  63   0.597  -4.825  -7.734
  506   HH11  ARG  63          1HH1      ARG  63  -1.102  -1.699  -7.501
  507   HH12  ARG  63          2HH1      ARG  63  -1.694  -1.833  -9.129
  508   HH21  ARG  63          1HH2      ARG  63  -0.315  -4.946  -9.768
  509   HH22  ARG  63          2HH2      ARG  63  -1.327  -3.667 -10.358
  510    H    ASP  64           H        ASP  64  -2.269  -0.411  -2.857
  511    HA   ASP  64           HA       ASP  64  -4.264  -0.352  -4.921
  512    HB2  ASP  64           1HB      ASP  64  -4.632  -0.913  -2.533
  513    HB3  ASP  64           2HB      ASP  64  -4.307   0.768  -2.099
  514    H    PHE  65           H        PHE  65  -2.361   2.288  -3.334
  515    HA   PHE  65           HA       PHE  65  -3.695   4.394  -4.808
  516    HB2  PHE  65           1HB      PHE  65  -2.352   4.681  -2.687
  517    HB3  PHE  65           2HB      PHE  65  -0.893   4.455  -3.629
  518    HD1  PHE  65           1HD      PHE  65  -3.845   6.643  -3.059
  519    HD2  PHE  65           2HD      PHE  65  -0.089   6.244  -5.119
  520    HE1  PHE  65           1HE      PHE  65  -3.951   9.035  -3.705
  521    HE2  PHE  65           2HE      PHE  65  -0.179   8.656  -5.728
  522    HZ   PHE  65           HZ       PHE  65  -2.123  10.038  -5.057
  523    H    VAL  66           H        VAL  66  -0.721   2.495  -5.430
  524    HA   VAL  66           HA       VAL  66  -0.042   3.787  -7.902
  525    HB   VAL  66           HB       VAL  66   0.534   0.972  -6.909
  526   HG11  VAL  66          1HG1      VAL  66   0.762   0.857  -9.332
  527   HG12  VAL  66          2HG1      VAL  66   1.642   2.403  -9.366
  528   HG13  VAL  66          3HG1      VAL  66   2.377   0.967  -8.623
  529   HG21  VAL  66          3HG2      VAL  66   2.724   1.898  -6.377
  530   HG22  VAL  66          1HG2      VAL  66   2.296   3.451  -7.138
  531   HG23  VAL  66          2HG2      VAL  66   1.484   2.931  -5.657
  532    H    ASN  67           H        ASN  67  -2.286   1.129  -7.182
  533    HA   ASN  67           HA       ASN  67  -2.993   0.508  -9.896
  534    HB2  ASN  67           1HB      ASN  67  -3.887  -1.132  -8.665
  535    HB3  ASN  67           2HB      ASN  67  -3.913  -0.169  -7.202
  536   HD21  ASN  67          2HD2      ASN  67  -5.740   1.115  -6.675
  537   HD22  ASN  67          1HD2      ASN  67  -7.280   0.778  -7.420
  538    H    TYR  68           H        TYR  68  -4.292   3.022  -7.655
  539    HA   TYR  68           HA       TYR  68  -6.163   4.114  -9.565
  540    HB2  TYR  68           1HB      TYR  68  -6.543   4.688  -7.346
  541    HB3  TYR  68           2HB      TYR  68  -4.874   5.106  -7.029
  542    HD1  TYR  68           2HD      TYR  68  -7.956   6.251  -8.795
  543    HD2  TYR  68           1HD      TYR  68  -4.025   7.311  -7.369
  544    HE1  TYR  68           2HE      TYR  68  -8.434   8.652  -9.257
  545    HE2  TYR  68           1HE      TYR  68  -4.493   9.701  -7.834
  546    HH   TYR  68           HH       TYR  68  -6.049  11.245  -8.588
  547    H    LEU  69           H        LEU  69  -2.732   4.990  -8.844
  548    HA   LEU  69           HA       LEU  69  -2.518   7.071 -10.771
  549    HB2  LEU  69           1HB      LEU  69  -0.388   5.159  -9.767
  550    HB3  LEU  69           2HB      LEU  69  -0.100   6.610 -10.719
  551    HG   LEU  69           HG       LEU  69  -1.322   6.645  -7.939
  552   HD11  LEU  69          1HD1      LEU  69   0.992   5.849  -7.885
  553   HD12  LEU  69          2HD1      LEU  69   1.507   7.183  -8.931
  554   HD13  LEU  69          3HD1      LEU  69   0.936   7.510  -7.288
  555   HD21  LEU  69          3HD2      LEU  69  -0.782   9.089  -8.073
  556   HD22  LEU  69          1HD2      LEU  69  -0.389   8.877  -9.792
  557   HD23  LEU  69          2HD2      LEU  69  -2.043   8.591  -9.202
  558    H    VAL  70           H        VAL  70  -2.091   3.567 -11.272
  559    HA   VAL  70           HA       VAL  70  -1.415   3.774 -14.065
  560    HB   VAL  70           HB       VAL  70  -2.708   1.514 -12.502
  561   HG11  VAL  70          1HG1      VAL  70  -3.349   1.190 -14.853
  562   HG12  VAL  70          2HG1      VAL  70  -1.672   1.465 -15.372
  563   HG13  VAL  70          3HG1      VAL  70  -2.102   0.029 -14.409
  564   HG21  VAL  70          3HG2      VAL  70  -0.509   0.481 -12.605
  565   HG22  VAL  70          1HG2      VAL  70   0.116   1.808 -13.608
  566   HG23  VAL  70          2HG2      VAL  70  -0.343   2.104 -11.926
  567    H    ARG  71           H        ARG  71  -4.569   3.407 -12.417
  568    HA   ARG  71           HA       ARG  71  -6.154   3.304 -14.796
  569    HB2  ARG  71           1HB      ARG  71  -6.834   4.078 -11.943
  570    HB3  ARG  71           2HB      ARG  71  -8.043   4.009 -13.229
  571    HG2  ARG  71           1HG      ARG  71  -7.638   1.656 -13.627
  572    HG3  ARG  71           2HG      ARG  71  -6.266   1.641 -12.518
  573    HD2  ARG  71           1HD      ARG  71  -7.834   2.326 -10.660
  574    HD3  ARG  71           2HD      ARG  71  -9.187   2.118 -11.775
  575    HE   ARG  71           HE       ARG  71  -7.507   0.051 -10.510
  576   HH11  ARG  71          1HH1      ARG  71  -9.925   0.549 -13.057
  577   HH12  ARG  71          2HH1      ARG  71 -10.335  -1.140 -13.100
  578   HH21  ARG  71          1HH2      ARG  71  -8.073  -2.051 -10.611
  579   HH22  ARG  71          2HH2      ARG  71  -9.291  -2.607 -11.726
  580    H    ILE  72           H        ILE  72  -4.842   6.108 -13.109
  581    HA   ILE  72           HA       ILE  72  -6.183   7.920 -15.079
  582    HB   ILE  72           HB       ILE  72  -5.446   9.771 -13.769
  583   HG12  ILE  72          1HG1      ILE  72  -4.261   7.923 -11.688
  584   HG13  ILE  72          2HG1      ILE  72  -3.264   8.634 -12.952
  585   HG21  ILE  72          1HG2      ILE  72  -7.555   8.575 -13.189
  586   HG22  ILE  72          2HG2      ILE  72  -6.678   7.659 -11.945
  587   HG23  ILE  72          3HG2      ILE  72  -6.845   9.420 -11.809
  588   HD11  ILE  72          3HD1      ILE  72  -3.108   9.958 -10.933
  589   HD12  ILE  72          1HD1      ILE  72  -3.926  10.904 -12.192
  590   HD13  ILE  72          2HD1      ILE  72  -4.866  10.170 -10.873
  591    H    ASN  73           H        ASN  73  -3.603   6.034 -15.355
  592    HA   ASN  73           HA       ASN  73  -1.942   5.891 -16.807
  593    HB2  ASN  73           1HB      ASN  73  -2.918   8.467 -18.088
  594    HB3  ASN  73           2HB      ASN  73  -1.924   7.218 -18.817
  595   HD21  ASN  73          2HD2      ASN  73  -5.118   8.297 -18.492
  596   HD22  ASN  73          1HD2      ASN  73  -5.912   6.823 -19.025
  597    H    GLU  74           H        GLU  74  -1.575   7.618 -14.310
  598    HA   GLU  74           HA       GLU  74   0.787   9.261 -15.042
  599    HB2  GLU  74           1HB      GLU  74  -0.713   8.861 -12.429
  600    HB3  GLU  74           2HB      GLU  74   0.718   9.868 -12.609
  601    HG2  GLU  74           1HG      GLU  74  -1.927  10.302 -14.043
  602    HG3  GLU  74           2HG      GLU  74  -1.316  11.219 -12.672
  603    H    VAL  75           H        VAL  75   0.252   6.058 -14.262
  604    HA   VAL  75           HA       VAL  75   3.172   5.594 -13.962
  605    HB   VAL  75           HB       VAL  75   1.009   4.172 -12.329
  606   HG11  VAL  75          1HG1      VAL  75   2.682   2.512 -13.055
  607   HG12  VAL  75          2HG1      VAL  75   4.004   3.611 -12.558
  608   HG13  VAL  75          3HG1      VAL  75   2.927   2.877 -11.352
  609   HG21  VAL  75          3HG2      VAL  75   2.119   4.940 -10.352
  610   HG22  VAL  75          1HG2      VAL  75   3.497   5.543 -11.280
  611   HG23  VAL  75          2HG2      VAL  75   1.941   6.379 -11.371
  612    H    LYS  76           H        LYS  76   3.861   3.923 -15.318
  613    HA   LYS  76           HA       LYS  76   1.835   2.567 -17.031
  614    HB2  LYS  76           1HB      LYS  76   4.876   2.425 -17.110
  615    HB3  LYS  76           2HB      LYS  76   3.754   1.681 -18.227
  616    HG2  LYS  76           1HG      LYS  76   2.876   4.204 -18.548
  617    HG3  LYS  76           2HG      LYS  76   4.500   4.580 -17.952
  618    HD2  LYS  76           1HD      LYS  76   4.758   4.470 -20.314
  619    HD3  LYS  76           2HD      LYS  76   5.353   2.903 -19.742
  620    HE2  LYS  76           1HE      LYS  76   2.803   2.173 -20.094
  621    HE3  LYS  76           2HE      LYS  76   2.737   3.607 -21.124
  622    HZ1  LYS  76           3HZ      LYS  76   3.301   1.766 -22.481
  623    HZ2  LYS  76           1HZ      LYS  76   4.722   2.565 -22.305
  624    HZ3  LYS  76           2HZ      LYS  76   4.407   1.188 -21.440
  625    H    SER  77           H        SER  77   1.199   0.455 -16.719
  626    HA   SER  77           HA       SER  77   1.649  -0.758 -14.181
  627    HB2  SER  77           1HB      SER  77   0.449  -2.702 -15.147
  628    HB3  SER  77           2HB      SER  77  -0.388  -1.157 -15.350
  629    HG   SER  77           HG       SER  77  -0.402  -2.428 -17.283
  630    H    GLU  78           H        GLU  78   3.359  -1.253 -17.266
  631    HA   GLU  78           HA       GLU  78   4.667  -3.671 -16.702
  632    HB2  GLU  78           1HB      GLU  78   5.967  -1.334 -18.156
  633    HB3  GLU  78           2HB      GLU  78   6.328  -3.047 -18.312
  634    HG2  GLU  78           1HG      GLU  78   5.081  -2.853 -20.180
  635    HG3  GLU  78           2HG      GLU  78   3.748  -3.166 -19.074
  636    H    GLU  79           H        GLU  79   5.296  -0.544 -15.252
  637    HA   GLU  79           HA       GLU  79   7.982  -1.264 -14.267
  638    HB2  GLU  79           1HB      GLU  79   6.200   1.165 -13.811
  639    HB3  GLU  79           2HB      GLU  79   7.851   0.998 -13.247
  640    HG2  GLU  79           1HG      GLU  79   6.967   1.051 -16.169
  641    HG3  GLU  79           2HG      GLU  79   7.694   2.383 -15.282
  642    H    VAL  80           H        VAL  80   4.767  -1.718 -13.148
  643    HA   VAL  80           HA       VAL  80   5.213  -1.014 -10.377
  644    HB   VAL  80           HB       VAL  80   2.859  -2.460 -11.635
  645   HG11  VAL  80          1HG1      VAL  80   2.867  -2.930  -9.241
  646   HG12  VAL  80          2HG1      VAL  80   3.222  -1.230  -8.869
  647   HG13  VAL  80          3HG1      VAL  80   1.651  -1.691  -9.560
  648   HG21  VAL  80          3HG2      VAL  80   1.764  -0.239 -11.469
  649   HG22  VAL  80          1HG2      VAL  80   3.283   0.464 -10.872
  650   HG23  VAL  80          2HG2      VAL  80   3.179  -0.169 -12.521
  651    HA   PRO  81           HA       PRO  81   6.708  -5.158  -9.278
  652    HB2  PRO  81           1HB      PRO  81   7.445  -4.719  -6.706
  653    HB3  PRO  81           2HB      PRO  81   8.356  -4.034  -8.087
  654    HG2  PRO  81           1HG      PRO  81   6.258  -2.673  -6.376
  655    HG3  PRO  81           2HG      PRO  81   7.869  -2.054  -6.855
  656    HD2  PRO  81           1HD      PRO  81   5.558  -1.397  -8.196
  657    HD3  PRO  81           2HD      PRO  81   7.128  -1.546  -9.026
  658    H    ALA  82           H        ALA  82   5.802  -6.945  -8.352
  659    HA   ALA  82           HA       ALA  82   3.676  -6.787  -6.339
  660    HB1  ALA  82           1HB      ALA  82   2.473  -6.397  -8.479
  661    HB2  ALA  82           2HB      ALA  82   3.164  -7.893  -9.143
  662    HB3  ALA  82           3HB      ALA  82   2.034  -7.967  -7.775
  663    H    VAL  83           H        VAL  83   3.276  -8.819  -5.309
  664    HA   VAL  83           HA       VAL  83   5.429 -10.582  -5.145
  665    HB   VAL  83           HB       VAL  83   3.444  -9.928  -3.548
  666   HG11  VAL  83          1HG1      VAL  83   1.631 -11.014  -4.863
  667   HG12  VAL  83          2HG1      VAL  83   2.357 -12.601  -4.512
  668   HG13  VAL  83          3HG1      VAL  83   1.745 -11.592  -3.192
  669   HG21  VAL  83          3HG2      VAL  83   4.022 -11.771  -2.092
  670   HG22  VAL  83          1HG2      VAL  83   4.767 -12.643  -3.458
  671   HG23  VAL  83          2HG2      VAL  83   5.435 -11.081  -2.911
  672    H    GLY  84           H        GLY  84   2.910 -10.623  -7.463
  673    HA2  GLY  84           1HA      GLY  84   4.015 -12.843  -8.911
  674    HA3  GLY  84           2HA      GLY  84   2.478 -13.289  -8.188
  675    H    ILE  85           H        ILE  85   2.927 -13.162 -10.971
  676    HA   ILE  85           HA       ILE  85   1.054 -10.988 -11.828
  677    HB   ILE  85           HB       ILE  85   3.509 -11.937 -13.366
  678   HG12  ILE  85          1HG1      ILE  85   2.946  -9.297 -11.936
  679   HG13  ILE  85          2HG1      ILE  85   4.160 -10.493 -11.485
  680   HG21  ILE  85          1HG2      ILE  85   1.573 -11.366 -14.835
  681   HG22  ILE  85          2HG2      ILE  85   1.454  -9.776 -14.047
  682   HG23  ILE  85          3HG2      ILE  85   2.877 -10.214 -15.019
  683   HD11  ILE  85          3HD1      ILE  85   5.302  -8.709 -12.554
  684   HD12  ILE  85          1HD1      ILE  85   5.334 -10.092 -13.666
  685   HD13  ILE  85          2HD1      ILE  85   4.219  -8.729 -13.950
  686    H    VAL  86           H        VAL  86  -0.665 -11.721 -12.933
  687    HA   VAL  86           HA       VAL  86  -0.651 -14.349 -14.296
  688    HB   VAL  86           HB       VAL  86  -2.777 -13.582 -12.253
  689   HG11  VAL  86          1HG1      VAL  86  -3.711 -14.911 -14.111
  690   HG12  VAL  86          2HG1      VAL  86  -2.423 -16.119 -13.917
  691   HG13  VAL  86          3HG1      VAL  86  -3.638 -15.882 -12.644
  692   HG21  VAL  86          3HG2      VAL  86  -2.003 -15.549 -10.950
  693   HG22  VAL  86          1HG2      VAL  86  -0.636 -15.746 -12.065
  694   HG23  VAL  86          2HG2      VAL  86  -0.769 -14.296 -11.039
  695    HA   PRO  87           HA       PRO  87  -2.709 -11.700 -17.266
  696    HB2  PRO  87           1HB      PRO  87  -3.968 -14.284 -18.202
  697    HB3  PRO  87           2HB      PRO  87  -3.227 -12.974 -19.177
  698    HG2  PRO  87           1HG      PRO  87  -1.826 -15.229 -18.659
  699    HG3  PRO  87           2HG      PRO  87  -1.023 -13.631 -18.505
  700    HD2  PRO  87           1HD      PRO  87  -2.180 -15.371 -16.313
  701    HD3  PRO  87           2HD      PRO  87  -0.618 -14.499 -16.370
  702    HA   PRO  88           HA       PRO  88  -6.809 -10.886 -15.679
  703    HB2  PRO  88           1HB      PRO  88  -7.534 -10.172 -18.521
  704    HB3  PRO  88           2HB      PRO  88  -7.858  -9.265 -17.011
  705    HG2  PRO  88           1HG      PRO  88  -5.821  -8.524 -18.633
  706    HG3  PRO  88           2HG      PRO  88  -5.574  -8.572 -16.855
  707    HD2  PRO  88           1HD      PRO  88  -4.777 -10.645 -18.919
  708    HD3  PRO  88           2HD      PRO  88  -3.833  -9.973 -17.552
  709    HA   PRO  89           HA       PRO  89  -9.261 -14.570 -16.600
  710    HB2  PRO  89           1HB      PRO  89 -11.583 -12.817 -15.780
  711    HB3  PRO  89           2HB      PRO  89 -11.202 -14.495 -15.280
  712    HG2  PRO  89           1HG      PRO  89 -10.639 -12.432 -13.620
  713    HG3  PRO  89           2HG      PRO  89  -9.434 -13.742 -13.851
  714    HD2  PRO  89           1HD      PRO  89  -9.511 -11.011 -15.169
  715    HD3  PRO  89           2HD      PRO  89  -8.135 -11.878 -14.416
  716    H    SER  90           H        SER  90 -10.667 -15.401 -18.186
  717    HA   SER  90           HA       SER  90 -11.115 -13.684 -20.546
  718    HB2  SER  90           1HB      SER  90 -11.551 -16.659 -20.102
  719    HB3  SER  90           2HB      SER  90 -11.734 -15.813 -21.643
  720    HG   SER  90           HG       SER  90  -9.315 -15.929 -20.114
  721    H    GLY  91           H        GLY  91 -12.939 -14.047 -17.857
  722    HA2  GLY  91           1HA      GLY  91 -15.610 -14.428 -19.027
  723    HA3  GLY  91           2HA      GLY  91 -15.217 -14.034 -17.345
  724    HA   PRO  92           HA       PRO  92 -16.892 -10.286 -19.626
  725    HB2  PRO  92           1HB      PRO  92 -19.336  -9.993 -18.464
  726    HB3  PRO  92           2HB      PRO  92 -19.031 -11.195 -19.754
  727    HG2  PRO  92           1HG      PRO  92 -19.011 -11.654 -16.747
  728    HG3  PRO  92           2HG      PRO  92 -19.908 -12.579 -17.998
  729    HD2  PRO  92           1HD      PRO  92 -17.487 -13.407 -17.050
  730    HD3  PRO  92           2HD      PRO  92 -17.942 -13.628 -18.768
  731    H    SER  93           H        SER  93 -16.015 -10.991 -16.407
  732    HA   SER  93           HA       SER  93 -15.479  -8.208 -15.728
  733    HB2  SER  93           1HB      SER  93 -16.849  -8.172 -13.680
  734    HB3  SER  93           2HB      SER  93 -17.840  -8.246 -15.141
  735    HG   SER  93           HG       SER  93 -18.590  -9.707 -13.526
  736    H    SER  94           H        SER  94 -15.717 -11.572 -14.514
  737    HA   SER  94           HA       SER  94 -12.905 -11.593 -13.738
  738    HB2  SER  94           1HB      SER  94 -14.154 -10.539 -11.779
  739    HB3  SER  94           2HB      SER  94 -14.979 -12.093 -11.578
  740    HG   SER  94           HG       SER  94 -13.053 -11.852 -10.268
  741    H    GLY  95           H        GLY  95 -12.710 -13.882 -12.385
  742    HA2  GLY  95           1HA      GLY  95 -14.324 -16.102 -13.196
  743    HA3  GLY  95           2HA      GLY  95 -12.965 -15.963 -14.308
  Start of MODEL   18
    1    H1   GLY  -3           1H       GLY  -3  19.361  -4.789  10.619
    2    H2   GLY  -3           2H       GLY  -3  19.941  -5.953   9.626
    3    H3   GLY  -3           3H       GLY  -3  20.674  -4.488   9.685
    4    HA2  GLY  -3           1HA      GLY  -3  18.743  -3.405   8.752
    5    HA3  GLY  -3           2HA      GLY  -3  19.378  -4.662   7.673
    6    H    SER  -2           H        SER  -2  16.875  -3.964   7.168
    7    HA   SER  -2           HA       SER  -2  15.300  -6.344   7.627
    8    HB2  SER  -2           1HB      SER  -2  14.947  -5.024   9.777
    9    HB3  SER  -2           2HB      SER  -2  14.171  -3.775   8.792
   10    HG   SER  -2           HG       SER  -2  12.687  -5.335   9.707
   11    H    SER  -1           H        SER  -1  12.985  -5.923   6.646
   12    HA   SER  -1           HA       SER  -1  12.777  -4.037   4.454
   13    HB2  SER  -1           1HB      SER  -1  12.933  -5.714   2.621
   14    HB3  SER  -1           2HB      SER  -1  14.470  -5.394   3.418
   15    HG   SER  -1           HG       SER  -1  12.790  -7.681   3.800
   16    H    GLY   0           H        GLY   0  10.834  -4.310   3.179
   17    HA2  GLY   0           1HA      GLY   0   8.586  -5.580   4.634
   18    HA3  GLY   0           2HA      GLY   0   8.485  -4.504   3.225
   19    H    SER   1           H        SER   1   6.896  -6.669   3.266
   20    HA   SER   1           HA       SER   1   7.999  -9.045   2.129
   21    HB2  SER   1           1HB      SER   1   5.128  -8.058   2.071
   22    HB3  SER   1           2HB      SER   1   5.681  -9.726   1.836
   23    HG   SER   1           HG       SER   1   4.982  -9.376   3.994
   24    H    SER   2           H        SER   2   7.382  -6.076   0.538
   25    HA   SER   2           HA       SER   2   8.290  -7.098  -1.975
   26    HB2  SER   2           1HB      SER   2   6.397  -6.528  -3.390
   27    HB3  SER   2           2HB      SER   2   5.929  -7.782  -2.244
   28    HG   SER   2           HG       SER   2   4.873  -6.206  -0.999
   29    H    GLY   3           H        GLY   3   8.418  -5.284  -3.637
   30    HA2  GLY   3           1HA      GLY   3   9.596  -2.977  -2.293
   31    HA3  GLY   3           2HA      GLY   3   9.639  -3.363  -4.029
   32    H    ILE   4           H        ILE   4   6.420  -3.384  -3.111
   33    HA   ILE   4           HA       ILE   4   5.869  -1.155  -4.790
   34    HB   ILE   4           HB       ILE   4   4.430  -3.159  -4.465
   35   HG12  ILE   4          1HG1      ILE   4   2.256  -2.068  -4.569
   36   HG13  ILE   4          2HG1      ILE   4   2.935  -0.539  -4.011
   37   HG21  ILE   4          1HG2      ILE   4   4.546  -3.254  -1.965
   38   HG22  ILE   4          2HG2      ILE   4   3.514  -1.815  -1.889
   39   HG23  ILE   4          3HG2      ILE   4   2.895  -3.323  -2.590
   40   HD11  ILE   4          3HD1      ILE   4   2.542  -0.667  -6.472
   41   HD12  ILE   4          1HD1      ILE   4   4.246  -0.368  -6.095
   42   HD13  ILE   4          2HD1      ILE   4   3.703  -1.997  -6.579
   43    H    LYS   5           H        LYS   5   6.136  -1.241  -1.282
   44    HA   LYS   5           HA       LYS   5   4.999   1.367  -0.800
   45    HB2  LYS   5           1HB      LYS   5   5.520  -0.698   0.748
   46    HB3  LYS   5           2HB      LYS   5   7.102   0.028   0.945
   47    HG2  LYS   5           1HG      LYS   5   4.438   1.401   1.559
   48    HG3  LYS   5           2HG      LYS   5   5.388   0.483   2.723
   49    HD2  LYS   5           1HD      LYS   5   7.309   2.095   2.344
   50    HD3  LYS   5           2HD      LYS   5   6.187   3.102   1.393
   51    HE2  LYS   5           1HE      LYS   5   4.641   3.207   3.339
   52    HE3  LYS   5           2HE      LYS   5   5.729   2.182   4.274
   53    HZ1  LYS   5           3HZ      LYS   5   6.026   4.489   4.831
   54    HZ2  LYS   5           1HZ      LYS   5   7.402   3.942   4.137
   55    HZ3  LYS   5           2HZ      LYS   5   6.379   4.898   3.285
   56    H    ASN   6           H        ASN   6   8.315   0.250  -1.466
   57    HA   ASN   6           HA       ASN   6   9.493   2.918  -1.367
   58    HB2  ASN   6           1HB      ASN   6  10.761   0.838  -0.861
   59    HB3  ASN   6           2HB      ASN   6  10.552   0.315  -2.533
   60   HD21  ASN   6          2HD2      ASN   6  12.435   0.645  -3.696
   61   HD22  ASN   6          1HD2      ASN   6  13.491   2.031  -3.485
   62    H    PHE   7           H        PHE   7   8.000   0.906  -3.896
   63    HA   PHE   7           HA       PHE   7   8.894   2.385  -6.172
   64    HB2  PHE   7           1HB      PHE   7   7.891   0.149  -6.290
   65    HB3  PHE   7           2HB      PHE   7   6.360   0.783  -5.708
   66    HD1  PHE   7           2HD      PHE   7   8.704   0.784  -8.598
   67    HD2  PHE   7           1HD      PHE   7   4.804   1.910  -7.148
   68    HE1  PHE   7           2HE      PHE   7   7.965   1.240 -10.923
   69    HE2  PHE   7           1HE      PHE   7   4.071   2.372  -9.467
   70    HZ   PHE   7           HZ       PHE   7   5.646   2.027 -11.365
   71    H    LEU   8           H        LEU   8   5.923   2.779  -4.133
   72    HA   LEU   8           HA       LEU   8   4.984   5.091  -5.523
   73    HB2  LEU   8           1HB      LEU   8   3.629   3.723  -3.950
   74    HB3  LEU   8           2HB      LEU   8   4.625   4.293  -2.599
   75    HG   LEU   8           HG       LEU   8   3.829   6.564  -2.855
   76   HD11  LEU   8          1HD1      LEU   8   3.576   6.762  -5.302
   77   HD12  LEU   8          2HD1      LEU   8   2.227   5.609  -5.272
   78   HD13  LEU   8          3HD1      LEU   8   2.085   7.204  -4.489
   79   HD21  LEU   8          3HD2      LEU   8   1.455   6.247  -2.313
   80   HD22  LEU   8          1HD2      LEU   8   1.488   4.621  -3.027
   81   HD23  LEU   8          2HD2      LEU   8   2.430   4.973  -1.563
   82    H    TYR   9           H        TYR   9   7.193   4.801  -2.712
   83    HA   TYR   9           HA       TYR   9   7.534   7.579  -2.279
   84    HB2  TYR   9           1HB      TYR   9   8.162   5.714  -0.739
   85    HB3  TYR   9           2HB      TYR   9   9.527   5.336  -1.779
   86    HD1  TYR   9           1HD      TYR   9   8.133   7.730   0.659
   87    HD2  TYR   9           2HD      TYR   9  11.505   6.802  -1.863
   88    HE1  TYR   9           1HE      TYR   9   9.499   9.411   1.877
   89    HE2  TYR   9           2HE      TYR   9  12.876   8.491  -0.653
   90    HH   TYR   9           HH       TYR   9  11.553  10.440   2.059
   91    H    ALA  10           H        ALA  10   9.422   5.374  -4.383
   92    HA   ALA  10           HA       ALA  10  11.242   7.377  -5.374
   93    HB1  ALA  10           1HB      ALA  10  11.700   4.945  -5.399
   94    HB2  ALA  10           2HB      ALA  10  10.366   4.696  -6.550
   95    HB3  ALA  10           3HB      ALA  10  11.797   5.632  -7.032
   96    H    TRP  11           H        TRP  11   8.095   6.177  -6.613
   97    HA   TRP  11           HA       TRP  11   8.016   7.657  -9.042
   98    HB2  TRP  11           1HB      TRP  11   6.524   5.804  -8.495
   99    HB3  TRP  11           2HB      TRP  11   5.831   6.693  -7.158
  100    HD1  TRP  11           HD       TRP  11   5.607   6.363 -10.918
  101    HE1  TRP  11           1HE      TRP  11   3.582   7.673 -11.780
  102    HE3  TRP  11           3HE      TRP  11   4.296   8.727  -6.593
  103    HZ2  TRP  11           2HZ      TRP  11   2.045  10.016 -10.820
  104    HZ3  TRP  11           3HZ      TRP  11   2.519  10.451  -6.570
  105    HH2  TRP  11           HH       TRP  11   1.403  11.115  -8.688
  106    H    CYS  12           H        CYS  12   6.859   8.507  -5.783
  107    HA   CYS  12           HA       CYS  12   6.061  11.225  -6.309
  108    HB2  CYS  12           1HB      CYS  12   7.126   9.849  -3.804
  109    HB3  CYS  12           2HB      CYS  12   6.481  11.490  -3.830
  110    HG   CYS  12           HG       CYS  12   4.990   8.632  -4.492
  111    H    GLY  13           H        GLY  13   9.242   9.894  -5.300
  112    HA2  GLY  13           1HA      GLY  13  10.596  12.374  -5.035
  113    HA3  GLY  13           2HA      GLY  13  11.360  10.788  -5.295
  114    H    LYS  14           H        LYS  14   9.924  10.514  -7.962
  115    HA   LYS  14           HA       LYS  14  11.785  12.049  -9.653
  116    HB2  LYS  14           1HB      LYS  14   9.583  10.016 -10.196
  117    HB3  LYS  14           2HB      LYS  14  10.481  10.833 -11.485
  118    HG2  LYS  14           1HG      LYS  14  12.601   9.926 -10.692
  119    HG3  LYS  14           2HG      LYS  14  11.830   9.219  -9.277
  120    HD2  LYS  14           1HD      LYS  14  12.230   7.479 -10.881
  121    HD3  LYS  14           2HD      LYS  14  10.484   7.728 -10.741
  122    HE2  LYS  14           1HE      LYS  14  10.496   9.066 -12.832
  123    HE3  LYS  14           2HE      LYS  14  12.255   8.914 -12.936
  124    HZ1  LYS  14           3HZ      LYS  14  11.140   7.301 -14.357
  125    HZ2  LYS  14           1HZ      LYS  14  11.970   6.514 -13.193
  126    HZ3  LYS  14           2HZ      LYS  14  10.342   6.647 -13.090
  127    H    ARG  15           H        ARG  15   8.870  12.771  -8.207
  128    HA   ARG  15           HA       ARG  15   8.137  14.902 -10.171
  129    HB2  ARG  15           1HB      ARG  15   6.416  13.323  -8.217
  130    HB3  ARG  15           2HB      ARG  15   5.840  14.641  -9.250
  131    HG2  ARG  15           1HG      ARG  15   6.450  13.335 -11.263
  132    HG3  ARG  15           2HG      ARG  15   7.005  12.007 -10.253
  133    HD2  ARG  15           1HD      ARG  15   4.818  11.518  -9.460
  134    HD3  ARG  15           2HD      ARG  15   4.189  13.084  -9.982
  135    HE   ARG  15           HE       ARG  15   3.553  12.081 -11.903
  136   HH11  ARG  15          1HH1      ARG  15   6.472  10.304 -10.966
  137   HH12  ARG  15          2HH1      ARG  15   6.350   9.259 -12.354
  138   HH21  ARG  15          1HH2      ARG  15   3.366  10.698 -13.463
  139   HH22  ARG  15          2HH2      ARG  15   4.556   9.448 -13.768
  140    H    LYS  16           H        LYS  16   9.871  14.672  -7.470
  141    HA   LYS  16           HA       LYS  16  10.442  15.953  -5.704
  142    HB2  LYS  16           1HB      LYS  16   8.956  18.205  -7.120
  143    HB3  LYS  16           2HB      LYS  16  10.134  18.373  -5.820
  144    HG2  LYS  16           1HG      LYS  16  11.884  17.335  -7.254
  145    HG3  LYS  16           2HG      LYS  16  10.718  17.241  -8.590
  146    HD2  LYS  16           1HD      LYS  16  10.446  19.705  -8.534
  147    HD3  LYS  16           2HD      LYS  16  11.621  19.803  -7.203
  148    HE2  LYS  16           1HE      LYS  16  13.352  18.770  -8.663
  149    HE3  LYS  16           2HE      LYS  16  12.182  18.676  -9.988
  150    HZ1  LYS  16           3HZ      LYS  16  13.592  20.636 -10.188
  151    HZ2  LYS  16           1HZ      LYS  16  12.046  21.105  -9.949
  152    HZ3  LYS  16           2HZ      LYS  16  13.128  21.192  -8.725
  153    H    MET  17           H        MET  17   8.049  14.368  -5.474
  154    HA   MET  17           HA       MET  17   6.502  15.793  -3.334
  155    HB2  MET  17           1HB      MET  17   5.722  13.459  -5.136
  156    HB3  MET  17           2HB      MET  17   4.720  14.120  -3.847
  157    HG2  MET  17           1HG      MET  17   4.841  16.365  -5.056
  158    HG3  MET  17           2HG      MET  17   5.552  15.501  -6.414
  159    HE1  MET  17           3HE      MET  17   2.593  13.012  -7.361
  160    HE2  MET  17           1HE      MET  17   4.287  13.434  -7.639
  161    HE3  MET  17           2HE      MET  17   3.799  12.657  -6.116
  162    H    THR  18           H        THR  18   5.596  14.244  -1.725
  163    HA   THR  18           HA       THR  18   7.227  11.844  -1.090
  164    HB   THR  18           HB       THR  18   6.573  14.016   0.940
  165    HG1  THR  18           1HG      THR  18   8.810  14.352   0.911
  166   HG21  THR  18          3HG2      THR  18   8.068  12.688   2.424
  167   HG22  THR  18          1HG2      THR  18   6.644  11.758   1.953
  168   HG23  THR  18          2HG2      THR  18   8.208  11.442   1.165
  169    HA   PRO  19           HA       PRO  19   2.897  10.655  -0.418
  170    HB2  PRO  19           1HB      PRO  19   3.192   8.013   0.165
  171    HB3  PRO  19           2HB      PRO  19   3.453   8.665  -1.481
  172    HG2  PRO  19           1HG      PRO  19   5.535   8.031   0.629
  173    HG3  PRO  19           2HG      PRO  19   5.548   7.603  -1.108
  174    HD2  PRO  19           1HD      PRO  19   6.862   9.788  -0.040
  175    HD3  PRO  19           2HD      PRO  19   6.223   9.766  -1.703
  176    H    ALA  20           H        ALA  20   1.565  10.624   1.342
  177    HA   ALA  20           HA       ALA  20   2.826  10.574   4.062
  178    HB1  ALA  20           1HB      ALA  20   2.066  12.798   3.340
  179    HB2  ALA  20           2HB      ALA  20   0.443  12.150   3.006
  180    HB3  ALA  20           3HB      ALA  20   1.063  12.182   4.671
  181    H    TYR  21           H        TYR  21   2.290   8.894   5.254
  182    HA   TYR  21           HA       TYR  21  -0.099   7.264   4.601
  183    HB2  TYR  21           1HB      TYR  21   2.418   6.647   6.188
  184    HB3  TYR  21           2HB      TYR  21   1.079   5.535   5.984
  185    HD1  TYR  21           2HD      TYR  21   3.787   7.331   4.145
  186    HD2  TYR  21           1HD      TYR  21   0.826   4.200   4.017
  187    HE1  TYR  21           2HE      TYR  21   4.782   6.473   2.038
  188    HE2  TYR  21           1HE      TYR  21   1.837   3.320   1.925
  189    HH   TYR  21           HH       TYR  21   3.466   3.630   0.313
  190    H    GLU  22           H        GLU  22  -1.383   6.314   6.277
  191    HA   GLU  22           HA       GLU  22  -1.091   7.251   9.042
  192    HB2  GLU  22           1HB      GLU  22  -2.576   8.948   7.998
  193    HB3  GLU  22           2HB      GLU  22  -3.675   7.671   7.486
  194    HG2  GLU  22           1HG      GLU  22  -4.517   8.829   9.461
  195    HG3  GLU  22           2HG      GLU  22  -4.209   7.140   9.826
  196    H    ILE  23           H        ILE  23  -2.182   5.879  10.569
  197    HA   ILE  23           HA       ILE  23  -2.892   3.153   9.539
  198    HB   ILE  23           HB       ILE  23  -0.672   3.874  11.487
  199   HG12  ILE  23          1HG1      ILE  23  -0.674   2.356   8.839
  200   HG13  ILE  23          2HG1      ILE  23  -0.072   3.996   9.089
  201   HG21  ILE  23          1HG2      ILE  23  -1.865   1.926  12.426
  202   HG22  ILE  23          2HG2      ILE  23  -1.729   1.078  10.866
  203   HG23  ILE  23          3HG2      ILE  23  -0.293   1.459  11.840
  204   HD11  ILE  23          3HD1      ILE  23   1.824   2.608   8.978
  205   HD12  ILE  23          1HD1      ILE  23   1.646   3.056  10.685
  206   HD13  ILE  23          2HD1      ILE  23   1.159   1.435  10.119
  207    H    ARG  24           H        ARG  24  -4.143   1.885  10.830
  208    HA   ARG  24           HA       ARG  24  -5.188   2.920  13.425
  209    HB2  ARG  24           1HB      ARG  24  -6.781   3.492  11.570
  210    HB3  ARG  24           2HB      ARG  24  -6.862   1.774  11.162
  211    HG2  ARG  24           1HG      ARG  24  -7.818   1.271  13.390
  212    HG3  ARG  24           2HG      ARG  24  -7.726   2.992  13.819
  213    HD2  ARG  24           1HD      ARG  24  -9.291   3.532  11.991
  214    HD3  ARG  24           2HD      ARG  24  -9.319   1.825  11.494
  215    HE   ARG  24           HE       ARG  24 -10.031   1.985  14.242
  216   HH11  ARG  24          1HH1      ARG  24 -11.449   2.812  11.108
  217   HH12  ARG  24          2HH1      ARG  24 -13.075   2.629  11.692
  218   HH21  ARG  24          1HH2      ARG  24 -12.152   1.771  14.934
  219   HH22  ARG  24          2HH2      ARG  24 -13.465   2.048  13.830
  220    H    ALA  25           H        ALA  25  -5.503   1.332  14.932
  221    HA   ALA  25           HA       ALA  25  -4.591  -1.428  14.312
  222    HB1  ALA  25           1HB      ALA  25  -3.599  -0.231  16.234
  223    HB2  ALA  25           2HB      ALA  25  -5.211  -0.074  16.972
  224    HB3  ALA  25           3HB      ALA  25  -4.484  -1.679  16.746
  225    H    VAL  26           H        VAL  26  -5.868  -3.194  14.379
  226    HA   VAL  26           HA       VAL  26  -8.694  -3.121  15.255
  227    HB   VAL  26           HB       VAL  26  -9.489  -4.066  13.121
  228   HG11  VAL  26          1HG1      VAL  26  -9.725  -1.631  13.579
  229   HG12  VAL  26          2HG1      VAL  26  -8.241  -1.340  12.637
  230   HG13  VAL  26          3HG1      VAL  26  -9.672  -2.041  11.861
  231   HG21  VAL  26          3HG2      VAL  26  -8.185  -3.918  11.060
  232   HG22  VAL  26          1HG2      VAL  26  -6.776  -3.303  11.949
  233   HG23  VAL  26          2HG2      VAL  26  -7.361  -4.959  12.220
  234    H    GLY  27           H        GLY  27  -9.576  -5.558  14.503
  235    HA2  GLY  27           1HA      GLY  27  -9.171  -7.884  14.451
  236    HA3  GLY  27           2HA      GLY  27  -7.487  -7.622  14.933
  237    H    ASN  28           H        ASN  28  -7.447  -9.092  16.573
  238    HA   ASN  28           HA       ASN  28  -9.403  -8.831  18.831
  239    HB2  ASN  28           1HB      ASN  28  -7.950 -11.275  17.736
  240    HB3  ASN  28           2HB      ASN  28  -8.989 -11.266  19.161
  241   HD21  ASN  28          2HD2      ASN  28 -11.324 -10.889  18.878
  242   HD22  ASN  28          1HD2      ASN  28 -12.045 -11.178  17.306
  243    H    LYS  29           H        LYS  29  -8.622  -9.451  20.974
  244    HA   LYS  29           HA       LYS  29  -6.145  -8.256  21.750
  245    HB2  LYS  29           1HB      LYS  29  -8.143  -8.486  23.169
  246    HB3  LYS  29           2HB      LYS  29  -7.958 -10.247  23.195
  247    HG2  LYS  29           1HG      LYS  29  -5.848 -10.059  24.417
  248    HG3  LYS  29           2HG      LYS  29  -5.861  -8.296  24.223
  249    HD2  LYS  29           1HD      LYS  29  -7.934  -8.172  25.613
  250    HD3  LYS  29           2HD      LYS  29  -7.946  -9.933  25.739
  251    HE2  LYS  29           1HE      LYS  29  -7.046  -9.100  27.786
  252    HE3  LYS  29           2HE      LYS  29  -5.723  -9.854  26.894
  253    HZ1  LYS  29           3HZ      LYS  29  -5.084  -7.711  27.848
  254    HZ2  LYS  29           1HZ      LYS  29  -5.004  -7.623  26.221
  255    HZ3  LYS  29           2HZ      LYS  29  -6.255  -6.931  27.020
  256    H    ASN  30           H        ASN  30  -6.949 -11.630  21.070
  257    HA   ASN  30           HA       ASN  30  -4.366 -12.727  21.779
  258    HB2  ASN  30           1HB      ASN  30  -6.474 -13.997  21.851
  259    HB3  ASN  30           2HB      ASN  30  -6.656 -13.836  20.103
  260   HD21  ASN  30          2HD2      ASN  30  -4.573 -15.277  22.666
  261   HD22  ASN  30          1HD2      ASN  30  -3.944 -16.548  21.632
  262    H    ARG  31           H        ARG  31  -5.558 -11.205  18.860
  263    HA   ARG  31           HA       ARG  31  -2.954 -11.380  17.567
  264    HB2  ARG  31           1HB      ARG  31  -3.999 -13.510  16.898
  265    HB3  ARG  31           2HB      ARG  31  -5.364 -12.637  16.194
  266    HG2  ARG  31           1HG      ARG  31  -3.845 -11.531  14.581
  267    HG3  ARG  31           2HG      ARG  31  -2.446 -12.311  15.329
  268    HD2  ARG  31           1HD      ARG  31  -4.749 -13.776  13.959
  269    HD3  ARG  31           2HD      ARG  31  -3.207 -13.384  13.209
  270    HE   ARG  31           HE       ARG  31  -2.056 -14.897  14.633
  271   HH11  ARG  31          1HH1      ARG  31  -5.565 -15.221  15.047
  272   HH12  ARG  31          2HH1      ARG  31  -5.407 -16.764  15.828
  273   HH21  ARG  31          1HH2      ARG  31  -1.945 -16.889  15.623
  274   HH22  ARG  31          2HH2      ARG  31  -3.395 -17.696  16.136
  275    H    GLN  32           H        GLN  32  -2.803  -9.238  17.601
  276    HA   GLN  32           HA       GLN  32  -4.934  -7.434  16.744
  277    HB2  GLN  32           1HB      GLN  32  -3.307  -6.928  18.567
  278    HB3  GLN  32           2HB      GLN  32  -2.001  -6.883  17.374
  279    HG2  GLN  32           1HG      GLN  32  -3.029  -4.934  16.276
  280    HG3  GLN  32           2HG      GLN  32  -4.459  -5.078  17.303
  281   HE21  GLN  32          2HE2      GLN  32  -4.448  -3.372  18.781
  282   HE22  GLN  32          1HE2      GLN  32  -3.009  -2.838  19.631
  283    H    LYS  33           H        LYS  33  -4.930  -6.115  14.937
  284    HA   LYS  33           HA       LYS  33  -3.113  -6.699  12.653
  285    HB2  LYS  33           1HB      LYS  33  -6.164  -6.820  12.714
  286    HB3  LYS  33           2HB      LYS  33  -5.230  -6.644  11.229
  287    HG2  LYS  33           1HG      LYS  33  -4.014  -8.800  11.862
  288    HG3  LYS  33           2HG      LYS  33  -5.178  -8.991  13.181
  289    HD2  LYS  33           1HD      LYS  33  -7.033  -9.048  11.560
  290    HD3  LYS  33           2HD      LYS  33  -5.894  -8.752  10.224
  291    HE2  LYS  33           1HE      LYS  33  -4.685 -10.851  10.791
  292    HE3  LYS  33           2HE      LYS  33  -5.842 -11.165  12.094
  293    HZ1  LYS  33           3HZ      LYS  33  -6.429 -12.374  10.074
  294    HZ2  LYS  33           1HZ      LYS  33  -7.599 -11.283  10.409
  295    HZ3  LYS  33           2HZ      LYS  33  -6.524 -10.993   9.208
  296    H    PHE  34           H        PHE  34  -3.396  -5.065  10.890
  297    HA   PHE  34           HA       PHE  34  -4.039  -2.357  11.963
  298    HB2  PHE  34           1HB      PHE  34  -1.461  -3.186  10.585
  299    HB3  PHE  34           2HB      PHE  34  -1.895  -1.550  11.069
  300    HD1  PHE  34           1HD      PHE  34  -2.225  -1.015  13.539
  301    HD2  PHE  34           2HD      PHE  34  -0.549  -4.747  12.181
  302    HE1  PHE  34           1HE      PHE  34  -1.360  -1.466  15.828
  303    HE2  PHE  34           2HE      PHE  34   0.337  -5.181  14.459
  304    HZ   PHE  34           HZ       PHE  34  -0.069  -3.541  16.285
  305    H    MET  35           H        MET  35  -4.941  -1.006  10.634
  306    HA   MET  35           HA       MET  35  -5.177  -1.597   7.707
  307    HB2  MET  35           1HB      MET  35  -6.863   0.342   9.333
  308    HB3  MET  35           2HB      MET  35  -7.089  -0.156   7.657
  309    HG2  MET  35           1HG      MET  35  -7.426  -2.546   8.577
  310    HG3  MET  35           2HG      MET  35  -7.468  -1.797  10.172
  311    HE1  MET  35           3HE      MET  35 -10.664  -1.429   6.865
  312    HE2  MET  35           1HE      MET  35  -9.014  -0.830   6.608
  313    HE3  MET  35           2HE      MET  35  -9.299  -2.564   6.887
  314    H    CYS  36           H        CYS  36  -4.771   0.177   6.277
  315    HA   CYS  36           HA       CYS  36  -3.390   2.547   7.368
  316    HB2  CYS  36           1HB      CYS  36  -1.679   0.747   7.217
  317    HB3  CYS  36           2HB      CYS  36  -2.075   0.524   5.501
  318    HG   CYS  36           HG       CYS  36  -1.213   3.422   6.884
  319    H    GLU  37           H        GLU  37  -3.240   4.273   5.946
  320    HA   GLU  37           HA       GLU  37  -4.232   3.940   3.209
  321    HB2  GLU  37           1HB      GLU  37  -5.548   5.956   3.315
  322    HB3  GLU  37           2HB      GLU  37  -6.178   4.754   4.436
  323    HG2  GLU  37           1HG      GLU  37  -5.169   5.955   6.333
  324    HG3  GLU  37           2HG      GLU  37  -4.398   7.105   5.231
  325    H    VAL  38           H        VAL  38  -3.556   5.638   1.780
  326    HA   VAL  38           HA       VAL  38  -1.313   7.344   2.690
  327    HB   VAL  38           HB       VAL  38  -0.367   5.199   1.854
  328   HG11  VAL  38          1HG1      VAL  38  -2.019   4.716   0.056
  329   HG12  VAL  38          2HG1      VAL  38  -1.342   6.060  -0.892
  330   HG13  VAL  38          3HG1      VAL  38  -0.340   4.657  -0.498
  331   HG21  VAL  38          3HG2      VAL  38   1.365   6.210   0.447
  332   HG22  VAL  38          1HG2      VAL  38   0.352   7.622   0.138
  333   HG23  VAL  38          2HG2      VAL  38   0.952   7.300   1.781
  334    H    ARG  39           H        ARG  39  -1.024   9.200   1.613
  335    HA   ARG  39           HA       ARG  39  -2.872   9.958  -0.605
  336    HB2  ARG  39           1HB      ARG  39  -2.382  11.523   1.973
  337    HB3  ARG  39           2HB      ARG  39  -3.341  12.073   0.590
  338    HG2  ARG  39           1HG      ARG  39  -4.867  10.102   0.923
  339    HG3  ARG  39           2HG      ARG  39  -3.970   9.699   2.401
  340    HD2  ARG  39           1HD      ARG  39  -4.522  11.963   3.310
  341    HD3  ARG  39           2HD      ARG  39  -5.503  12.267   1.864
  342    HE   ARG  39           HE       ARG  39  -6.054   9.882   3.606
  343   HH11  ARG  39          1HH1      ARG  39  -7.333  12.968   2.380
  344   HH12  ARG  39          2HH1      ARG  39  -8.926  12.595   2.969
  345   HH21  ARG  39          1HH2      ARG  39  -7.959   9.507   4.300
  346   HH22  ARG  39          2HH2      ARG  39  -9.311  10.618   4.073
  347    H    VAL  40           H        VAL  40  -2.217  11.805  -1.778
  348    HA   VAL  40           HA       VAL  40   0.574  12.790  -1.516
  349    HB   VAL  40           HB       VAL  40  -0.550  11.663  -4.119
  350   HG11  VAL  40          1HG1      VAL  40   0.959  13.576  -4.508
  351   HG12  VAL  40          2HG1      VAL  40   2.196  12.835  -3.469
  352   HG13  VAL  40          3HG1      VAL  40   1.730  12.073  -5.004
  353   HG21  VAL  40          3HG2      VAL  40   1.295   9.980  -3.965
  354   HG22  VAL  40          1HG2      VAL  40   1.679  10.569  -2.338
  355   HG23  VAL  40          2HG2      VAL  40   0.116   9.786  -2.666
  356    H    GLU  41           H        GLU  41   0.726  14.925  -2.014
  357    HA   GLU  41           HA       GLU  41  -1.619  16.501  -2.042
  358    HB2  GLU  41           1HB      GLU  41   0.582  17.165  -1.117
  359    HB3  GLU  41           2HB      GLU  41   1.227  17.320  -2.757
  360    HG2  GLU  41           1HG      GLU  41  -0.413  19.112  -3.241
  361    HG3  GLU  41           2HG      GLU  41  -1.141  18.896  -1.646
  362    H    GLY  42           H        GLY  42  -2.897  17.280  -3.592
  363    HA2  GLY  42           1HA      GLY  42  -3.487  18.225  -5.657
  364    HA3  GLY  42           2HA      GLY  42  -1.992  17.605  -6.396
  365    H    PHE  43           H        PHE  43  -3.362  15.029  -4.756
  366    HA   PHE  43           HA       PHE  43  -4.852  14.084  -7.172
  367    HB2  PHE  43           1HB      PHE  43  -3.278  12.546  -5.081
  368    HB3  PHE  43           2HB      PHE  43  -4.281  11.809  -6.321
  369    HD1  PHE  43           2HD      PHE  43  -1.197  13.789  -5.725
  370    HD2  PHE  43           1HD      PHE  43  -3.607  11.782  -8.681
  371    HE1  PHE  43           2HE      PHE  43   0.610  14.071  -7.389
  372    HE2  PHE  43           1HE      PHE  43  -1.777  12.026 -10.334
  373    HZ   PHE  43           HZ       PHE  43   0.334  13.185  -9.699
  374    H    ASN  44           H        ASN  44  -6.820  13.183  -7.000
  375    HA   ASN  44           HA       ASN  44  -8.391  14.155  -4.747
  376    HB2  ASN  44           1HB      ASN  44 -10.305  13.724  -6.202
  377    HB3  ASN  44           2HB      ASN  44  -9.053  14.654  -7.005
  378   HD21  ASN  44          2HD2      ASN  44  -9.041  14.088  -9.159
  379   HD22  ASN  44          1HD2      ASN  44  -9.158  12.440  -9.749
  380    H    TYR  45           H        TYR  45  -6.849  11.289  -5.020
  381    HA   TYR  45           HA       TYR  45  -8.978   9.689  -3.655
  382    HB2  TYR  45           1HB      TYR  45  -8.390   8.964  -5.952
  383    HB3  TYR  45           2HB      TYR  45  -6.713   8.771  -5.450
  384    HD1  TYR  45           2HD      TYR  45 -10.180   7.645  -4.491
  385    HD2  TYR  45           1HD      TYR  45  -6.004   6.618  -4.803
  386    HE1  TYR  45           2HE      TYR  45 -10.691   5.332  -3.731
  387    HE2  TYR  45           1HE      TYR  45  -6.517   4.293  -4.086
  388    HH   TYR  45           HH       TYR  45  -8.144   2.860  -3.237
  389    H    ALA  46           H        ALA  46  -8.346   8.169  -2.083
  390    HA   ALA  46           HA       ALA  46  -5.628   8.423  -0.878
  391    HB1  ALA  46           1HB      ALA  46  -7.244   9.683   0.519
  392    HB2  ALA  46           2HB      ALA  46  -8.285   8.249   0.624
  393    HB3  ALA  46           3HB      ALA  46  -6.665   8.223   1.351
  394    H    GLY  47           H        GLY  47  -4.676   6.533  -1.303
  395    HA2  GLY  47           1HA      GLY  47  -6.225   4.084  -1.830
  396    HA3  GLY  47           2HA      GLY  47  -4.462   4.252  -1.946
  397    H    MET  48           H        MET  48  -6.162   2.185  -0.628
  398    HA   MET  48           HA       MET  48  -5.009   2.289   2.093
  399    HB2  MET  48           1HB      MET  48  -7.224   1.923   3.095
  400    HB3  MET  48           2HB      MET  48  -7.061   3.499   2.326
  401    HG2  MET  48           1HG      MET  48  -8.315   2.644   0.341
  402    HG3  MET  48           2HG      MET  48  -8.458   1.073   1.122
  403    HE1  MET  48           3HE      MET  48 -10.681   4.953   2.313
  404    HE2  MET  48           1HE      MET  48  -8.930   4.814   2.549
  405    HE3  MET  48           2HE      MET  48  -9.612   4.746   0.909
  406    H    GLY  49           H        GLY  49  -4.984   0.472   3.284
  407    HA2  GLY  49           1HA      GLY  49  -5.642  -2.171   2.118
  408    HA3  GLY  49           2HA      GLY  49  -3.942  -1.787   2.326
  409    H    ASN  50           H        ASN  50  -4.576  -3.897   3.653
  410    HA   ASN  50           HA       ASN  50  -4.140  -3.094   6.405
  411    HB2  ASN  50           1HB      ASN  50  -5.949  -4.332   7.422
  412    HB3  ASN  50           2HB      ASN  50  -6.633  -3.165   6.302
  413   HD21  ASN  50          2HD2      ASN  50  -7.802  -3.950   4.452
  414   HD22  ASN  50          1HD2      ASN  50  -8.151  -5.657   4.255
  415    H    SER  51           H        SER  51  -3.485  -4.905   7.809
  416    HA   SER  51           HA       SER  51  -3.010  -7.550   6.799
  417    HB2  SER  51           1HB      SER  51  -1.227  -6.190   5.546
  418    HB3  SER  51           2HB      SER  51  -0.467  -5.921   7.117
  419    HG   SER  51           HG       SER  51  -0.038  -7.906   5.587
  420    H    THR  52           H        THR  52  -1.254  -8.645   8.347
  421    HA   THR  52           HA       THR  52  -2.119  -8.187  11.121
  422    HB   THR  52           HB       THR  52  -0.183 -10.264  10.051
  423    HG1  THR  52           1HG      THR  52  -2.003 -11.539   9.821
  424   HG21  THR  52          3HG2      THR  52  -1.100 -11.615  11.983
  425   HG22  THR  52          1HG2      THR  52  -0.141 -10.230  12.497
  426   HG23  THR  52          2HG2      THR  52  -1.916 -10.149  12.571
  427    H    ASN  53           H        ASN  53   0.282  -6.835   9.229
  428    HA   ASN  53           HA       ASN  53   1.593  -5.736  11.629
  429    HB2  ASN  53           1HB      ASN  53   3.824  -6.116  10.845
  430    HB3  ASN  53           2HB      ASN  53   2.994  -7.663  10.916
  431   HD21  ASN  53          2HD2      ASN  53   2.757  -8.866   8.954
  432   HD22  ASN  53          1HD2      ASN  53   3.392  -8.279   7.427
  433    H    LYS  54           H        LYS  54   2.590  -3.709  11.337
  434    HA   LYS  54           HA       LYS  54   1.099  -1.938   9.675
  435    HB2  LYS  54           1HB      LYS  54   3.648  -1.566  11.307
  436    HB3  LYS  54           2HB      LYS  54   2.776  -0.245  10.532
  437    HG2  LYS  54           1HG      LYS  54   0.730  -0.822  11.844
  438    HG3  LYS  54           2HG      LYS  54   1.642  -2.099  12.674
  439    HD2  LYS  54           1HD      LYS  54   3.251  -0.399  13.514
  440    HD3  LYS  54           2HD      LYS  54   2.311   0.879  12.710
  441    HE2  LYS  54           1HE      LYS  54   0.322   0.270  14.071
  442    HE3  LYS  54           2HE      LYS  54   1.248  -1.016  14.856
  443    HZ1  LYS  54           3HZ      LYS  54   1.197   0.991  16.217
  444    HZ2  LYS  54           1HZ      LYS  54   2.734   0.687  15.757
  445    HZ3  LYS  54           2HZ      LYS  54   1.883   1.882  15.031
  446    H    LYS  55           H        LYS  55   4.188  -3.493   9.007
  447    HA   LYS  55           HA       LYS  55   5.041  -1.636   6.953
  448    HB2  LYS  55           1HB      LYS  55   6.490  -3.183   8.323
  449    HB3  LYS  55           2HB      LYS  55   5.849  -4.541   7.419
  450    HG2  LYS  55           1HG      LYS  55   7.965  -4.019   6.492
  451    HG3  LYS  55           2HG      LYS  55   6.760  -3.530   5.299
  452    HD2  LYS  55           1HD      LYS  55   7.034  -1.161   5.966
  453    HD3  LYS  55           2HD      LYS  55   8.140  -1.649   7.272
  454    HE2  LYS  55           1HE      LYS  55   9.666  -2.649   5.543
  455    HE3  LYS  55           2HE      LYS  55   8.590  -2.043   4.275
  456    HZ1  LYS  55           3HZ      LYS  55  10.440  -0.523   4.668
  457    HZ2  LYS  55           1HZ      LYS  55   9.045   0.219   5.083
  458    HZ3  LYS  55           2HZ      LYS  55  10.045  -0.355   6.243
  459    H    ASP  56           H        ASP  56   3.629  -4.936   6.746
  460    HA   ASP  56           HA       ASP  56   3.220  -4.832   3.899
  461    HB2  ASP  56           1HB      ASP  56   3.454  -6.883   5.300
  462    HB3  ASP  56           2HB      ASP  56   1.867  -6.567   5.987
  463    H    ALA  57           H        ALA  57   1.233  -3.791   6.645
  464    HA   ALA  57           HA       ALA  57  -1.185  -3.301   5.144
  465    HB1  ALA  57           1HB      ALA  57  -1.097  -3.357   7.625
  466    HB2  ALA  57           2HB      ALA  57  -0.144  -1.854   7.620
  467    HB3  ALA  57           3HB      ALA  57  -1.813  -1.855   7.020
  468    H    GLN  58           H        GLN  58   1.666  -1.192   5.774
  469    HA   GLN  58           HA       GLN  58   0.742   1.025   4.157
  470    HB2  GLN  58           1HB      GLN  58   3.498   0.112   5.064
  471    HB3  GLN  58           2HB      GLN  58   3.246   1.526   4.046
  472    HG2  GLN  58           1HG      GLN  58   2.015   2.684   5.732
  473    HG3  GLN  58           2HG      GLN  58   1.866   1.239   6.735
  474   HE21  GLN  58          2HE2      GLN  58   3.675   0.548   7.979
  475   HE22  GLN  58          1HE2      GLN  58   5.080   1.597   8.212
  476    H    SER  59           H        SER  59   2.791  -1.868   3.317
  477    HA   SER  59           HA       SER  59   3.156  -1.177   0.591
  478    HB2  SER  59           1HB      SER  59   2.801  -3.939   1.815
  479    HB3  SER  59           2HB      SER  59   3.469  -3.590   0.215
  480    HG   SER  59           HG       SER  59   5.140  -3.868   1.754
  481    H    ASN  60           H        ASN  60   0.345  -2.765   2.142
  482    HA   ASN  60           HA       ASN  60  -1.001  -3.232  -0.395
  483    HB2  ASN  60           1HB      ASN  60  -1.978  -3.328   2.481
  484    HB3  ASN  60           2HB      ASN  60  -2.965  -3.769   1.085
  485   HD21  ASN  60          2HD2      ASN  60  -2.269  -5.610   3.253
  486   HD22  ASN  60          1HD2      ASN  60  -1.207  -6.819   2.568
  487    H    ALA  61           H        ALA  61  -1.212  -0.615   2.059
  488    HA   ALA  61           HA       ALA  61  -3.202   0.946   0.701
  489    HB1  ALA  61           1HB      ALA  61  -2.438   1.305   3.057
  490    HB2  ALA  61           2HB      ALA  61  -0.865   1.860   2.444
  491    HB3  ALA  61           3HB      ALA  61  -2.330   2.785   2.080
  492    H    ALA  62           H        ALA  62   0.371   0.938   0.384
  493    HA   ALA  62           HA       ALA  62   0.553   2.947  -1.625
  494    HB1  ALA  62           1HB      ALA  62   2.435   2.063  -0.251
  495    HB2  ALA  62           2HB      ALA  62   2.349   0.529  -1.134
  496    HB3  ALA  62           3HB      ALA  62   2.792   2.017  -1.995
  497    H    ARG  63           H        ARG  63   0.331  -0.647  -2.002
  498    HA   ARG  63           HA       ARG  63   0.289  -0.677  -4.802
  499    HB2  ARG  63           1HB      ARG  63   0.499  -2.716  -3.388
  500    HB3  ARG  63           2HB      ARG  63  -1.160  -2.519  -2.848
  501    HG2  ARG  63           1HG      ARG  63  -1.018  -4.253  -4.555
  502    HG3  ARG  63           2HG      ARG  63  -2.012  -2.914  -5.096
  503    HD2  ARG  63           1HD      ARG  63   0.219  -2.092  -6.289
  504    HD3  ARG  63           2HD      ARG  63   0.733  -3.761  -6.074
  505    HE   ARG  63           HE       ARG  63  -1.399  -2.663  -7.799
  506   HH11  ARG  63          1HH1      ARG  63  -0.093  -5.710  -6.540
  507   HH12  ARG  63          2HH1      ARG  63  -0.994  -6.651  -7.692
  508   HH21  ARG  63          1HH2      ARG  63  -2.504  -3.882  -9.185
  509   HH22  ARG  63          2HH2      ARG  63  -2.369  -5.624  -9.179
  510    H    ASP  64           H        ASP  64  -2.478  -0.225  -2.566
  511    HA   ASP  64           HA       ASP  64  -4.466  -0.130  -4.629
  512    HB2  ASP  64           1HB      ASP  64  -4.857  -0.633  -2.231
  513    HB3  ASP  64           2HB      ASP  64  -4.520   1.054  -1.838
  514    H    PHE  65           H        PHE  65  -2.408   2.455  -3.238
  515    HA   PHE  65           HA       PHE  65  -3.754   4.541  -4.777
  516    HB2  PHE  65           1HB      PHE  65  -2.511   4.933  -2.632
  517    HB3  PHE  65           2HB      PHE  65  -1.008   4.639  -3.491
  518    HD1  PHE  65           1HD      PHE  65  -4.045   6.834  -3.373
  519    HD2  PHE  65           2HD      PHE  65  -0.041   6.371  -4.876
  520    HE1  PHE  65           1HE      PHE  65  -4.068   9.188  -4.162
  521    HE2  PHE  65           2HE      PHE  65  -0.052   8.742  -5.626
  522    HZ   PHE  65           HZ       PHE  65  -2.072  10.144  -5.290
  523    H    VAL  66           H        VAL  66  -0.809   2.545  -5.287
  524    HA   VAL  66           HA       VAL  66  -0.049   3.755  -7.777
  525    HB   VAL  66           HB       VAL  66   0.388   0.937  -6.733
  526   HG11  VAL  66          1HG1      VAL  66   0.572   0.740  -9.157
  527   HG12  VAL  66          2HG1      VAL  66   1.529   2.236  -9.250
  528   HG13  VAL  66          3HG1      VAL  66   2.202   0.786  -8.479
  529   HG21  VAL  66          3HG2      VAL  66   2.630   1.748  -6.266
  530   HG22  VAL  66          1HG2      VAL  66   2.282   3.303  -7.062
  531   HG23  VAL  66          2HG2      VAL  66   1.471   2.874  -5.548
  532    H    ASN  67           H        ASN  67  -2.291   1.076  -7.085
  533    HA   ASN  67           HA       ASN  67  -3.157   0.549  -9.747
  534    HB2  ASN  67           1HB      ASN  67  -4.697   0.446  -7.127
  535    HB3  ASN  67           2HB      ASN  67  -5.363  -0.095  -8.661
  536   HD21  ASN  67          2HD2      ASN  67  -5.082  -1.782  -6.391
  537   HD22  ASN  67          1HD2      ASN  67  -3.949  -3.043  -6.831
  538    H    TYR  68           H        TYR  68  -4.453   3.064  -7.475
  539    HA   TYR  68           HA       TYR  68  -6.217   4.310  -9.355
  540    HB2  TYR  68           1HB      TYR  68  -6.549   4.910  -7.157
  541    HB3  TYR  68           2HB      TYR  68  -4.857   5.149  -6.814
  542    HD1  TYR  68           2HD      TYR  68  -7.776   6.665  -8.595
  543    HD2  TYR  68           1HD      TYR  68  -3.802   7.269  -7.028
  544    HE1  TYR  68           2HE      TYR  68  -8.016   9.116  -8.935
  545    HE2  TYR  68           1HE      TYR  68  -4.033   9.713  -7.375
  546    HH   TYR  68           HH       TYR  68  -7.044  11.170  -8.700
  547    H    LEU  69           H        LEU  69  -2.725   4.995  -8.735
  548    HA   LEU  69           HA       LEU  69  -2.507   7.079 -10.669
  549    HB2  LEU  69           1HB      LEU  69  -0.391   5.151  -9.668
  550    HB3  LEU  69           2HB      LEU  69  -0.095   6.585 -10.642
  551    HG   LEU  69           HG       LEU  69  -1.316   6.701  -7.863
  552   HD11  LEU  69          1HD1      LEU  69   0.950   5.822  -7.744
  553   HD12  LEU  69          2HD1      LEU  69   1.537   7.068  -8.856
  554   HD13  LEU  69          3HD1      LEU  69   0.981   7.514  -7.233
  555   HD21  LEU  69          3HD2      LEU  69  -0.682   9.116  -8.041
  556   HD22  LEU  69          1HD2      LEU  69  -0.290   8.855  -9.753
  557   HD23  LEU  69          2HD2      LEU  69  -1.955   8.641  -9.165
  558    H    VAL  70           H        VAL  70  -2.174   3.555 -11.143
  559    HA   VAL  70           HA       VAL  70  -1.540   3.723 -13.948
  560    HB   VAL  70           HB       VAL  70  -2.903   1.496 -12.394
  561   HG11  VAL  70          1HG1      VAL  70  -3.509   1.199 -14.755
  562   HG12  VAL  70          2HG1      VAL  70  -1.816   1.434 -15.245
  563   HG13  VAL  70          3HG1      VAL  70  -2.296   0.006 -14.299
  564   HG21  VAL  70          3HG2      VAL  70  -0.745   0.377 -12.482
  565   HG22  VAL  70          1HG2      VAL  70  -0.049   1.701 -13.440
  566   HG23  VAL  70          2HG2      VAL  70  -0.534   1.974 -11.759
  567    H    ARG  71           H        ARG  71  -4.650   3.503 -12.232
  568    HA   ARG  71           HA       ARG  71  -6.320   3.437 -14.549
  569    HB2  ARG  71           1HB      ARG  71  -6.858   4.256 -11.680
  570    HB3  ARG  71           2HB      ARG  71  -8.127   4.156 -12.901
  571    HG2  ARG  71           1HG      ARG  71  -7.851   1.809 -13.202
  572    HG3  ARG  71           2HG      ARG  71  -6.312   1.779 -12.339
  573    HD2  ARG  71           1HD      ARG  71  -7.497   2.476 -10.250
  574    HD3  ARG  71           2HD      ARG  71  -9.042   2.341 -11.115
  575    HE   ARG  71           HE       ARG  71  -7.847  -0.101 -11.545
  576   HH11  ARG  71          1HH1      ARG  71  -8.676   1.650  -8.579
  577   HH12  ARG  71          2HH1      ARG  71  -8.803   0.189  -7.648
  578   HH21  ARG  71          1HH2      ARG  71  -8.054  -1.943 -10.288
  579   HH22  ARG  71          2HH2      ARG  71  -8.477  -1.814  -8.608
  580    H    ILE  72           H        ILE  72  -4.675   6.167 -13.173
  581    HA   ILE  72           HA       ILE  72  -6.128   7.996 -15.068
  582    HB   ILE  72           HB       ILE  72  -5.304   9.867 -13.810
  583   HG12  ILE  72          1HG1      ILE  72  -4.022   7.916 -11.875
  584   HG13  ILE  72          2HG1      ILE  72  -3.127   8.832 -13.082
  585   HG21  ILE  72          1HG2      ILE  72  -7.432   8.728 -13.143
  586   HG22  ILE  72          2HG2      ILE  72  -6.539   7.856 -11.879
  587   HG23  ILE  72          3HG2      ILE  72  -6.667   9.624 -11.827
  588   HD11  ILE  72          3HD1      ILE  72  -2.903   9.927 -10.966
  589   HD12  ILE  72          1HD1      ILE  72  -3.895  10.953 -12.020
  590   HD13  ILE  72          2HD1      ILE  72  -4.656   9.989 -10.728
  591    H    ASN  73           H        ASN  73  -3.647   6.024 -15.373
  592    HA   ASN  73           HA       ASN  73  -1.939   5.813 -16.751
  593    HB2  ASN  73           1HB      ASN  73  -3.655   6.847 -18.310
  594    HB3  ASN  73           2HB      ASN  73  -2.796   8.376 -18.131
  595   HD21  ASN  73          2HD2      ASN  73  -1.988   8.583 -20.244
  596   HD22  ASN  73          1HD2      ASN  73  -0.901   7.410 -20.965
  597    H    GLU  74           H        GLU  74  -1.556   7.505 -14.283
  598    HA   GLU  74           HA       GLU  74   0.888   9.061 -14.930
  599    HB2  GLU  74           1HB      GLU  74  -0.788   8.606 -12.450
  600    HB3  GLU  74           2HB      GLU  74   0.852   9.182 -12.305
  601    HG2  GLU  74           1HG      GLU  74  -1.322  10.550 -13.922
  602    HG3  GLU  74           2HG      GLU  74  -0.771  11.032 -12.317
  603    H    VAL  75           H        VAL  75   0.145   5.825 -14.281
  604    HA   VAL  75           HA       VAL  75   3.040   5.179 -14.125
  605    HB   VAL  75           HB       VAL  75   0.903   3.858 -12.377
  606   HG11  VAL  75          1HG1      VAL  75   2.579   2.195 -13.127
  607   HG12  VAL  75          2HG1      VAL  75   3.894   3.316 -12.657
  608   HG13  VAL  75          3HG1      VAL  75   2.840   2.583 -11.429
  609   HG21  VAL  75          3HG2      VAL  75   2.125   4.643 -10.446
  610   HG22  VAL  75          1HG2      VAL  75   3.409   5.304 -11.474
  611   HG23  VAL  75          2HG2      VAL  75   1.810   6.058 -11.458
  612    H    LYS  76           H        LYS  76   3.566   3.443 -15.456
  613    HA   LYS  76           HA       LYS  76   1.390   2.179 -17.060
  614    HB2  LYS  76           1HB      LYS  76   4.418   1.918 -17.257
  615    HB3  LYS  76           2HB      LYS  76   3.236   1.172 -18.336
  616    HG2  LYS  76           1HG      LYS  76   2.382   3.477 -18.922
  617    HG3  LYS  76           2HG      LYS  76   3.725   4.167 -18.003
  618    HD2  LYS  76           1HD      LYS  76   3.971   2.325 -20.423
  619    HD3  LYS  76           2HD      LYS  76   4.174   4.082 -20.431
  620    HE2  LYS  76           1HE      LYS  76   6.093   3.868 -18.852
  621    HE3  LYS  76           2HE      LYS  76   5.911   2.108 -18.875
  622    HZ1  LYS  76           3HZ      LYS  76   7.613   2.835 -20.435
  623    HZ2  LYS  76           1HZ      LYS  76   6.380   2.155 -21.262
  624    HZ3  LYS  76           2HZ      LYS  76   6.554   3.782 -21.241
  625    H    SER  77           H        SER  77   0.647   0.126 -16.614
  626    HA   SER  77           HA       SER  77   1.110  -1.115 -14.127
  627    HB2  SER  77           1HB      SER  77  -0.049  -3.069 -15.138
  628    HB3  SER  77           2HB      SER  77  -0.884  -1.530 -15.392
  629    HG   SER  77           HG       SER  77  -0.774  -2.799 -17.330
  630    H    GLU  78           H        GLU  78   2.769  -1.697 -17.204
  631    HA   GLU  78           HA       GLU  78   4.207  -4.031 -16.603
  632    HB2  GLU  78           1HB      GLU  78   5.065  -1.652 -18.296
  633    HB3  GLU  78           2HB      GLU  78   5.800  -3.258 -18.335
  634    HG2  GLU  78           1HG      GLU  78   3.615  -4.229 -19.048
  635    HG3  GLU  78           2HG      GLU  78   2.920  -2.607 -19.097
  636    H    GLU  79           H        GLU  79   4.753  -0.832 -15.285
  637    HA   GLU  79           HA       GLU  79   7.500  -1.443 -14.375
  638    HB2  GLU  79           1HB      GLU  79   5.672   0.949 -13.917
  639    HB3  GLU  79           2HB      GLU  79   7.334   0.826 -13.383
  640    HG2  GLU  79           1HG      GLU  79   6.395   0.815 -16.286
  641    HG3  GLU  79           2HG      GLU  79   7.106   2.178 -15.436
  642    H    VAL  80           H        VAL  80   4.315  -1.961 -13.174
  643    HA   VAL  80           HA       VAL  80   4.798  -1.200 -10.428
  644    HB   VAL  80           HB       VAL  80   2.494  -2.803 -11.588
  645   HG11  VAL  80          1HG1      VAL  80   2.632  -3.227  -9.181
  646   HG12  VAL  80          2HG1      VAL  80   2.864  -1.496  -8.861
  647   HG13  VAL  80          3HG1      VAL  80   1.309  -2.097  -9.485
  648   HG21  VAL  80          3HG2      VAL  80   1.269  -0.657 -11.420
  649   HG22  VAL  80          1HG2      VAL  80   2.752   0.152 -10.862
  650   HG23  VAL  80          2HG2      VAL  80   2.650  -0.501 -12.509
  651    HA   PRO  81           HA       PRO  81   6.616  -5.223  -9.385
  652    HB2  PRO  81           1HB      PRO  81   7.465  -4.714  -6.857
  653    HB3  PRO  81           2HB      PRO  81   8.245  -3.978  -8.292
  654    HG2  PRO  81           1HG      PRO  81   6.156  -2.752  -6.472
  655    HG3  PRO  81           2HG      PRO  81   7.692  -2.028  -7.046
  656    HD2  PRO  81           1HD      PRO  81   5.264  -1.545  -8.254
  657    HD3  PRO  81           2HD      PRO  81   6.790  -1.583  -9.170
  658    H    ALA  82           H        ALA  82   5.852  -7.056  -8.450
  659    HA   ALA  82           HA       ALA  82   3.959  -7.073  -6.236
  660    HB1  ALA  82           1HB      ALA  82   2.461  -6.624  -8.165
  661    HB2  ALA  82           2HB      ALA  82   3.114  -8.042  -9.012
  662    HB3  ALA  82           3HB      ALA  82   2.177  -8.250  -7.517
  663    H    VAL  83           H        VAL  83   3.563  -9.277  -5.443
  664    HA   VAL  83           HA       VAL  83   5.858 -10.846  -5.404
  665    HB   VAL  83           HB       VAL  83   3.848 -10.477  -3.764
  666   HG11  VAL  83          1HG1      VAL  83   2.106 -11.587  -5.152
  667   HG12  VAL  83          2HG1      VAL  83   2.941 -13.140  -4.921
  668   HG13  VAL  83          3HG1      VAL  83   2.271 -12.275  -3.529
  669   HG21  VAL  83          3HG2      VAL  83   4.559 -12.367  -2.443
  670   HG22  VAL  83          1HG2      VAL  83   5.346 -13.099  -3.866
  671   HG23  VAL  83          2HG2      VAL  83   5.920 -11.537  -3.220
  672    H    GLY  84           H        GLY  84   3.365 -10.987  -7.756
  673    HA2  GLY  84           1HA      GLY  84   3.797 -13.834  -8.514
  674    HA3  GLY  84           2HA      GLY  84   2.564 -12.726  -9.138
  675    H    ILE  85           H        ILE  85   3.179 -13.628 -11.174
  676    HA   ILE  85           HA       ILE  85   5.417 -12.160 -12.497
  677    HB   ILE  85           HB       ILE  85   4.543 -15.019 -13.112
  678   HG12  ILE  85          1HG1      ILE  85   7.093 -13.975 -11.795
  679   HG13  ILE  85          2HG1      ILE  85   5.836 -14.934 -11.016
  680   HG21  ILE  85          1HG2      ILE  85   5.275 -13.774 -15.139
  681   HG22  ILE  85          2HG2      ILE  85   6.794 -13.338 -14.320
  682   HG23  ILE  85          3HG2      ILE  85   6.416 -15.026 -14.728
  683   HD11  ILE  85          3HD1      ILE  85   7.642 -16.400 -11.456
  684   HD12  ILE  85          1HD1      ILE  85   6.345 -16.826 -12.589
  685   HD13  ILE  85          2HD1      ILE  85   7.764 -15.899 -13.146
  686    H    VAL  86           H        VAL  86   4.886 -11.362 -14.534
  687    HA   VAL  86           HA       VAL  86   3.741 -10.591 -16.267
  688    HB   VAL  86           HB       VAL  86   1.246 -12.088 -15.429
  689   HG11  VAL  86          1HG1      VAL  86   0.737 -10.220 -16.944
  690   HG12  VAL  86          2HG1      VAL  86   2.000 -10.772 -18.069
  691   HG13  VAL  86          3HG1      VAL  86   0.554 -11.761 -17.777
  692   HG21  VAL  86          3HG2      VAL  86   1.875 -13.674 -17.267
  693   HG22  VAL  86          1HG2      VAL  86   3.432 -12.836 -17.430
  694   HG23  VAL  86          2HG2      VAL  86   3.029 -13.716 -15.939
  695    HA   PRO  87           HA       PRO  87   2.372  -6.931 -14.132
  696    HB2  PRO  87           1HB      PRO  87   1.252  -6.179 -16.843
  697    HB3  PRO  87           2HB      PRO  87   2.189  -5.172 -15.697
  698    HG2  PRO  87           1HG      PRO  87   3.434  -6.296 -17.811
  699    HG3  PRO  87           2HG      PRO  87   4.210  -6.370 -16.192
  700    HD2  PRO  87           1HD      PRO  87   2.604  -8.506 -17.610
  701    HD3  PRO  87           2HD      PRO  87   4.162  -8.640 -16.738
  702    HA   PRO  88           HA       PRO  88  -1.862  -7.333 -12.923
  703    HB2  PRO  88           1HB      PRO  88  -2.056  -4.322 -13.168
  704    HB3  PRO  88           2HB      PRO  88  -2.630  -5.386 -11.847
  705    HG2  PRO  88           1HG      PRO  88  -0.292  -4.048 -11.584
  706    HG3  PRO  88           2HG      PRO  88  -0.387  -5.772 -11.093
  707    HD2  PRO  88           1HD      PRO  88   0.731  -4.609 -13.652
  708    HD3  PRO  88           2HD      PRO  88   1.387  -5.897 -12.601
  709    HA   PRO  89           HA       PRO  89  -3.968  -7.127 -16.917
  710    HB2  PRO  89           1HB      PRO  89  -6.158  -8.649 -16.406
  711    HB3  PRO  89           2HB      PRO  89  -4.509  -9.344 -16.431
  712    HG2  PRO  89           1HG      PRO  89  -6.102  -8.426 -14.010
  713    HG3  PRO  89           2HG      PRO  89  -5.262  -9.993 -14.249
  714    HD2  PRO  89           1HD      PRO  89  -4.107  -7.903 -12.911
  715    HD3  PRO  89           2HD      PRO  89  -3.145  -9.015 -13.932
  716    H    SER  90           H        SER  90  -5.925  -6.298 -17.911
  717    HA   SER  90           HA       SER  90  -7.177  -4.066 -16.395
  718    HB2  SER  90           1HB      SER  90  -7.258  -4.783 -19.347
  719    HB3  SER  90           2HB      SER  90  -7.971  -3.340 -18.613
  720    HG   SER  90           HG       SER  90  -5.190  -4.023 -18.547
  721    H    GLY  91           H        GLY  91  -7.970  -7.245 -16.718
  722    HA2  GLY  91           1HA      GLY  91 -10.858  -6.986 -17.281
  723    HA3  GLY  91           2HA      GLY  91  -9.960  -8.476 -16.939
  724    HA   PRO  92           HA       PRO  92 -12.700  -7.300 -13.282
  725    HB2  PRO  92           1HB      PRO  92 -13.330 -10.229 -13.674
  726    HB3  PRO  92           2HB      PRO  92 -14.415  -8.903 -13.147
  727    HG2  PRO  92           1HG      PRO  92 -14.520  -9.802 -15.695
  728    HG3  PRO  92           2HG      PRO  92 -14.545  -8.034 -15.378
  729    HD2  PRO  92           1HD      PRO  92 -12.188  -9.764 -16.187
  730    HD3  PRO  92           2HD      PRO  92 -12.706  -8.182 -16.844
  731    H    SER  93           H        SER  93 -12.349  -7.869 -11.084
  732    HA   SER  93           HA       SER  93  -9.756  -9.066 -10.486
  733    HB2  SER  93           1HB      SER  93 -10.317  -8.308  -8.176
  734    HB3  SER  93           2HB      SER  93 -10.384  -7.029  -9.395
  735    HG   SER  93           HG       SER  93 -12.207  -6.986  -7.960
  736    H    SER  94           H        SER  94 -12.734 -10.495 -10.909
  737    HA   SER  94           HA       SER  94 -11.974 -13.053  -9.799
  738    HB2  SER  94           1HB      SER  94 -14.127 -11.421  -8.400
  739    HB3  SER  94           2HB      SER  94 -14.119 -13.189  -8.366
  740    HG   SER  94           HG       SER  94 -11.811 -11.718  -7.639
  741    H    GLY  95           H        GLY  95 -13.376 -14.742 -10.492
  742    HA2  GLY  95           1HA      GLY  95 -15.859 -14.434 -11.860
  743    HA3  GLY  95           2HA      GLY  95 -14.562 -14.450 -13.055
  Start of MODEL   19
    1    H1   GLY  -3           1H       GLY  -3  17.996 -10.705  15.028
    2    H2   GLY  -3           2H       GLY  -3  17.183 -12.081  14.677
    3    H3   GLY  -3           3H       GLY  -3  18.822 -12.088  14.723
    4    HA2  GLY  -3           1HA      GLY  -3  18.962 -10.635  12.820
    5    HA3  GLY  -3           2HA      GLY  -3  18.060 -12.114  12.441
    6    H    SER  -2           H        SER  -2  17.135 -10.851  10.679
    7    HA   SER  -2           HA       SER  -2  14.530  -9.719  11.266
    8    HB2  SER  -2           1HB      SER  -2  16.790  -7.913  10.332
    9    HB3  SER  -2           2HB      SER  -2  15.107  -7.581   9.912
   10    HG   SER  -2           HG       SER  -2  15.905  -7.999  12.607
   11    H    SER  -1           H        SER  -1  13.283  -9.361   9.277
   12    HA   SER  -1           HA       SER  -1  14.309 -10.117   6.678
   13    HB2  SER  -1           1HB      SER  -1  14.154 -12.338   7.931
   14    HB3  SER  -1           2HB      SER  -1  12.402 -12.095   7.974
   15    HG   SER  -1           HG       SER  -1  13.154 -13.367   6.158
   16    H    GLY   0           H        GLY   0  12.219 -10.637   5.237
   17    HA2  GLY   0           1HA      GLY   0  10.069  -9.973   4.499
   18    HA3  GLY   0           2HA      GLY   0   9.929  -8.833   5.851
   19    H    SER   1           H        SER   1   9.068  -7.711   3.770
   20    HA   SER   1           HA       SER   1  10.998  -5.735   2.834
   21    HB2  SER   1           1HB      SER   1  10.792  -6.281   0.453
   22    HB3  SER   1           2HB      SER   1  11.566  -7.589   1.347
   23    HG   SER   1           HG       SER   1   9.989  -8.391  -0.114
   24    H    SER   2           H        SER   2   9.977  -4.194   1.250
   25    HA   SER   2           HA       SER   2   7.033  -3.944   1.305
   26    HB2  SER   2           1HB      SER   2   8.782  -1.776   2.528
   27    HB3  SER   2           2HB      SER   2   7.019  -1.795   2.391
   28    HG   SER   2           HG       SER   2   7.354  -3.900   3.692
   29    H    GLY   3           H        GLY   3   8.457  -4.509  -0.908
   30    HA2  GLY   3           1HA      GLY   3   9.851  -2.398  -2.179
   31    HA3  GLY   3           2HA      GLY   3   9.207  -3.844  -2.983
   32    H    ILE   4           H        ILE   4   6.409  -3.139  -2.294
   33    HA   ILE   4           HA       ILE   4   5.880  -1.190  -4.438
   34    HB   ILE   4           HB       ILE   4   4.528  -3.204  -4.258
   35   HG12  ILE   4          1HG1      ILE   4   2.279  -2.254  -4.368
   36   HG13  ILE   4          2HG1      ILE   4   2.842  -0.720  -3.715
   37   HG21  ILE   4          1HG2      ILE   4   4.525  -3.539  -1.819
   38   HG22  ILE   4          2HG2      ILE   4   3.523  -2.086  -1.613
   39   HG23  ILE   4          3HG2      ILE   4   2.879  -3.511  -2.451
   40   HD11  ILE   4          3HD1      ILE   4   2.529  -0.712  -6.183
   41   HD12  ILE   4          1HD1      ILE   4   4.209  -0.371  -5.749
   42   HD13  ILE   4          2HD1      ILE   4   3.748  -1.987  -6.340
   43    H    LYS   5           H        LYS   5   5.918  -1.112  -0.924
   44    HA   LYS   5           HA       LYS   5   4.745   1.533  -0.623
   45    HB2  LYS   5           1HB      LYS   5   5.116  -0.409   1.077
   46    HB3  LYS   5           2HB      LYS   5   6.760   0.182   1.219
   47    HG2  LYS   5           1HG      LYS   5   4.260   1.821   1.801
   48    HG3  LYS   5           2HG      LYS   5   5.169   0.885   2.988
   49    HD2  LYS   5           1HD      LYS   5   7.216   2.279   2.434
   50    HD3  LYS   5           2HD      LYS   5   6.146   3.345   1.490
   51    HE2  LYS   5           1HE      LYS   5   4.722   3.676   3.515
   52    HE3  LYS   5           2HE      LYS   5   5.784   2.614   4.436
   53    HZ1  LYS   5           3HZ      LYS   5   6.310   4.929   4.821
   54    HZ2  LYS   5           1HZ      LYS   5   7.584   4.203   4.100
   55    HZ3  LYS   5           2HZ      LYS   5   6.608   5.197   3.235
   56    H    ASN   6           H        ASN   6   8.076   0.270  -0.914
   57    HA   ASN   6           HA       ASN   6   9.392   2.810  -1.066
   58    HB2  ASN   6           1HB      ASN   6  10.496   0.633  -0.564
   59    HB3  ASN   6           2HB      ASN   6  10.201   0.119  -2.227
   60   HD21  ASN   6          2HD2      ASN   6  12.035   0.313  -3.487
   61   HD22  ASN   6          1HD2      ASN   6  13.227   1.586  -3.303
   62    H    PHE   7           H        PHE   7   7.766   0.849  -3.591
   63    HA   PHE   7           HA       PHE   7   8.775   2.291  -5.848
   64    HB2  PHE   7           1HB      PHE   7   7.721   0.091  -6.036
   65    HB3  PHE   7           2HB      PHE   7   6.196   0.745  -5.462
   66    HD1  PHE   7           1HD      PHE   7   8.617   0.831  -8.297
   67    HD2  PHE   7           2HD      PHE   7   4.666   1.857  -6.916
   68    HE1  PHE   7           1HE      PHE   7   7.937   1.357 -10.624
   69    HE2  PHE   7           2HE      PHE   7   3.988   2.383  -9.241
   70    HZ   PHE   7           HZ       PHE   7   5.619   2.124 -11.105
   71    H    LEU   8           H        LEU   8   5.741   2.765  -3.917
   72    HA   LEU   8           HA       LEU   8   4.884   5.056  -5.399
   73    HB2  LEU   8           1HB      LEU   8   3.453   3.737  -3.849
   74    HB3  LEU   8           2HB      LEU   8   4.403   4.332  -2.476
   75    HG   LEU   8           HG       LEU   8   3.638   6.607  -2.825
   76   HD11  LEU   8          1HD1      LEU   8   3.459   6.737  -5.278
   77   HD12  LEU   8          2HD1      LEU   8   2.116   5.575  -5.263
   78   HD13  LEU   8          3HD1      LEU   8   1.932   7.189  -4.534
   79   HD21  LEU   8          3HD2      LEU   8   1.249   6.317  -2.340
   80   HD22  LEU   8          1HD2      LEU   8   1.291   4.671  -3.008
   81   HD23  LEU   8          2HD2      LEU   8   2.194   5.059  -1.528
   82    H    TYR   9           H        TYR   9   6.955   4.794  -2.484
   83    HA   TYR   9           HA       TYR   9   7.358   7.575  -2.124
   84    HB2  TYR   9           1HB      TYR   9   7.856   5.748  -0.494
   85    HB3  TYR   9           2HB      TYR   9   9.254   5.291  -1.456
   86    HD1  TYR   9           2HD      TYR   9   7.819   7.826   0.815
   87    HD2  TYR   9           1HD      TYR   9  11.284   6.693  -1.488
   88    HE1  TYR   9           2HE      TYR   9   9.175   9.528   2.024
   89    HE2  TYR   9           1HE      TYR   9  12.643   8.392  -0.286
   90    HH   TYR   9           HH       TYR   9  12.660  10.039   1.323
   91    H    ALA  10           H        ALA  10   9.295   5.245  -4.052
   92    HA   ALA  10           HA       ALA  10  11.231   7.150  -4.988
   93    HB1  ALA  10           1HB      ALA  10  11.595   4.708  -4.962
   94    HB2  ALA  10           2HB      ALA  10  10.310   4.489  -6.173
   95    HB3  ALA  10           3HB      ALA  10  11.796   5.363  -6.598
   96    H    TRP  11           H        TRP  11   8.132   6.022  -6.432
   97    HA   TRP  11           HA       TRP  11   8.254   7.507  -8.856
   98    HB2  TRP  11           1HB      TRP  11   6.651   5.724  -8.431
   99    HB3  TRP  11           2HB      TRP  11   5.920   6.621  -7.120
  100    HD1  TRP  11           HD       TRP  11   5.963   6.444 -10.924
  101    HE1  TRP  11           1HE      TRP  11   3.995   7.802 -11.853
  102    HE3  TRP  11           3HE      TRP  11   4.376   8.639  -6.587
  103    HZ2  TRP  11           2HZ      TRP  11   2.167   9.823 -10.872
  104    HZ3  TRP  11           3HZ      TRP  11   2.483  10.236  -6.601
  105    HH2  TRP  11           HH       TRP  11   1.370  10.837  -8.738
  106    H    CYS  12           H        CYS  12   6.856   8.405  -5.686
  107    HA   CYS  12           HA       CYS  12   6.176  11.119  -6.284
  108    HB2  CYS  12           1HB      CYS  12   7.097   9.776  -3.708
  109    HB3  CYS  12           2HB      CYS  12   6.503  11.434  -3.792
  110    HG   CYS  12           HG       CYS  12   4.953   8.613  -4.465
  111    H    GLY  13           H        GLY  13   9.289   9.789  -5.073
  112    HA2  GLY  13           1HA      GLY  13  10.658  12.271  -4.852
  113    HA3  GLY  13           2HA      GLY  13  11.413  10.665  -4.989
  114    H    LYS  14           H        LYS  14  10.164  10.232  -7.709
  115    HA   LYS  14           HA       LYS  14  12.096  11.734  -9.362
  116    HB2  LYS  14           1HB      LYS  14   9.981   9.622  -9.957
  117    HB3  LYS  14           2HB      LYS  14  10.951  10.367 -11.213
  118    HG2  LYS  14           1HG      LYS  14  12.055   8.748  -8.876
  119    HG3  LYS  14           2HG      LYS  14  11.805   8.150 -10.505
  120    HD2  LYS  14           1HD      LYS  14  13.780  10.297  -9.626
  121    HD3  LYS  14           2HD      LYS  14  14.164   8.656 -10.103
  122    HE2  LYS  14           1HE      LYS  14  12.957  10.776 -11.948
  123    HE3  LYS  14           2HE      LYS  14  14.669  10.361 -11.855
  124    HZ1  LYS  14           3HZ      LYS  14  13.608   9.195 -13.675
  125    HZ2  LYS  14           1HZ      LYS  14  14.112   8.107 -12.570
  126    HZ3  LYS  14           2HZ      LYS  14  12.523   8.485 -12.682
  127    H    ARG  15           H        ARG  15   9.062  12.431  -8.168
  128    HA   ARG  15           HA       ARG  15   8.412  14.394 -10.329
  129    HB2  ARG  15           1HB      ARG  15   6.605  12.884  -8.405
  130    HB3  ARG  15           2HB      ARG  15   6.066  14.112  -9.561
  131    HG2  ARG  15           1HG      ARG  15   6.861  12.684 -11.442
  132    HG3  ARG  15           2HG      ARG  15   7.394  11.465 -10.304
  133    HD2  ARG  15           1HD      ARG  15   5.302  10.753 -11.147
  134    HD3  ARG  15           2HD      ARG  15   5.062  11.221  -9.468
  135    HE   ARG  15           HE       ARG  15   4.104  13.372 -10.287
  136   HH11  ARG  15          1HH1      ARG  15   4.054  10.686 -12.656
  137   HH12  ARG  15          2HH1      ARG  15   2.653  11.409 -13.442
  138   HH21  ARG  15          1HH2      ARG  15   2.335  14.142 -11.495
  139   HH22  ARG  15          2HH2      ARG  15   1.776  13.156 -12.844
  140    H    LYS  16           H        LYS  16   9.952  14.451  -7.514
  141    HA   LYS  16           HA       LYS  16  10.379  15.924  -5.860
  142    HB2  LYS  16           1HB      LYS  16   8.890  17.960  -7.570
  143    HB3  LYS  16           2HB      LYS  16   9.981  18.305  -6.229
  144    HG2  LYS  16           1HG      LYS  16  11.850  17.209  -7.457
  145    HG3  LYS  16           2HG      LYS  16  10.768  16.945  -8.839
  146    HD2  LYS  16           1HD      LYS  16  10.419  19.400  -9.042
  147    HD3  LYS  16           2HD      LYS  16  11.449  19.659  -7.631
  148    HE2  LYS  16           1HE      LYS  16  12.788  20.123  -9.545
  149    HE3  LYS  16           2HE      LYS  16  13.368  18.607  -8.851
  150    HZ1  LYS  16           3HZ      LYS  16  13.166  18.494 -11.271
  151    HZ2  LYS  16           1HZ      LYS  16  12.137  17.425 -10.593
  152    HZ3  LYS  16           2HZ      LYS  16  11.571  18.833 -11.210
  153    H    MET  17           H        MET  17   8.098  14.252  -5.535
  154    HA   MET  17           HA       MET  17   6.418  15.801  -3.586
  155    HB2  MET  17           1HB      MET  17   5.704  13.353  -5.260
  156    HB3  MET  17           2HB      MET  17   4.657  14.102  -4.055
  157    HG2  MET  17           1HG      MET  17   4.796  16.251  -5.389
  158    HG3  MET  17           2HG      MET  17   5.600  15.334  -6.660
  159    HE1  MET  17           3HE      MET  17   2.774  12.769  -7.710
  160    HE2  MET  17           1HE      MET  17   4.486  13.197  -7.843
  161    HE3  MET  17           2HE      MET  17   3.862  12.467  -6.349
  162    H    THR  18           H        THR  18   5.467  14.332  -1.914
  163    HA   THR  18           HA       THR  18   7.078  11.967  -1.125
  164    HB   THR  18           HB       THR  18   6.396  14.218   0.813
  165    HG1  THR  18           1HG      THR  18   8.137  14.815  -0.448
  166   HG21  THR  18          3HG2      THR  18   7.845  12.938   2.371
  167   HG22  THR  18          1HG2      THR  18   6.417  12.006   1.913
  168   HG23  THR  18          2HG2      THR  18   7.992  11.636   1.171
  169    HA   PRO  19           HA       PRO  19   2.727  10.821  -0.506
  170    HB2  PRO  19           1HB      PRO  19   2.986   8.211   0.193
  171    HB3  PRO  19           2HB      PRO  19   3.344   8.781  -1.466
  172    HG2  PRO  19           1HG      PRO  19   5.306   8.292   0.797
  173    HG3  PRO  19           2HG      PRO  19   5.407   7.720  -0.897
  174    HD2  PRO  19           1HD      PRO  19   6.683   9.976   0.033
  175    HD3  PRO  19           2HD      PRO  19   6.083   9.845  -1.641
  176    H    ALA  20           H        ALA  20   1.298  10.535   1.226
  177    HA   ALA  20           HA       ALA  20   2.472  10.708   3.983
  178    HB1  ALA  20           1HB      ALA  20   1.588  12.862   3.205
  179    HB2  ALA  20           2HB      ALA  20   0.024  12.101   2.827
  180    HB3  ALA  20           3HB      ALA  20   0.586  12.191   4.510
  181    H    TYR  21           H        TYR  21   2.062   8.994   5.129
  182    HA   TYR  21           HA       TYR  21  -0.240   7.217   4.531
  183    HB2  TYR  21           1HB      TYR  21   2.340   6.777   6.077
  184    HB3  TYR  21           2HB      TYR  21   1.053   5.595   5.960
  185    HD1  TYR  21           2HD      TYR  21   3.655   7.399   3.993
  186    HD2  TYR  21           1HD      TYR  21   0.764   4.201   4.034
  187    HE1  TYR  21           2HE      TYR  21   4.632   6.480   1.897
  188    HE2  TYR  21           1HE      TYR  21   1.750   3.271   1.951
  189    HH   TYR  21           HH       TYR  21   3.319   3.577   0.281
  190    H    GLU  22           H        GLU  22  -1.475   6.275   6.224
  191    HA   GLU  22           HA       GLU  22  -1.266   7.304   8.986
  192    HB2  GLU  22           1HB      GLU  22  -2.785   8.868   7.845
  193    HB3  GLU  22           2HB      GLU  22  -3.807   7.522   7.316
  194    HG2  GLU  22           1HG      GLU  22  -4.458   7.039   9.603
  195    HG3  GLU  22           2HG      GLU  22  -3.222   8.137  10.240
  196    H    ILE  23           H        ILE  23  -2.141   5.829  10.525
  197    HA   ILE  23           HA       ILE  23  -2.862   3.111   9.520
  198    HB   ILE  23           HB       ILE  23  -0.566   3.850  11.377
  199   HG12  ILE  23          1HG1      ILE  23  -0.633   2.443   8.671
  200   HG13  ILE  23          2HG1      ILE  23  -0.039   4.075   8.982
  201   HG21  ILE  23          1HG2      ILE  23  -1.677   1.840  12.291
  202   HG22  ILE  23          2HG2      ILE  23  -1.571   1.048  10.696
  203   HG23  ILE  23          3HG2      ILE  23  -0.114   1.440  11.636
  204   HD11  ILE  23          3HD1      ILE  23   1.876   2.748   8.763
  205   HD12  ILE  23          1HD1      ILE  23   1.724   3.055  10.502
  206   HD13  ILE  23          2HD1      ILE  23   1.247   1.476   9.817
  207    H    ARG  24           H        ARG  24  -4.034   1.830  10.897
  208    HA   ARG  24           HA       ARG  24  -4.870   2.861  13.564
  209    HB2  ARG  24           1HB      ARG  24  -6.574   3.499  11.824
  210    HB3  ARG  24           2HB      ARG  24  -6.777   1.783  11.454
  211    HG2  ARG  24           1HG      ARG  24  -7.606   1.349  13.731
  212    HG3  ARG  24           2HG      ARG  24  -7.251   3.018  14.199
  213    HD2  ARG  24           1HD      ARG  24  -9.612   2.817  13.815
  214    HD3  ARG  24           2HD      ARG  24  -8.916   3.821  12.532
  215    HE   ARG  24           HE       ARG  24  -9.026   1.063  11.706
  216   HH11  ARG  24          1HH1      ARG  24 -11.214   3.794  12.225
  217   HH12  ARG  24          2HH1      ARG  24 -12.370   3.208  11.069
  218   HH21  ARG  24          1HH2      ARG  24 -10.551   0.378  10.196
  219   HH22  ARG  24          2HH2      ARG  24 -12.003   1.300   9.952
  220    H    ALA  25           H        ALA  25  -5.075   1.279  15.072
  221    HA   ALA  25           HA       ALA  25  -4.336  -1.512  14.372
  222    HB1  ALA  25           1HB      ALA  25  -3.182  -0.350  16.242
  223    HB2  ALA  25           2HB      ALA  25  -4.736  -0.175  17.084
  224    HB3  ALA  25           3HB      ALA  25  -4.060  -1.791  16.786
  225    H    VAL  26           H        VAL  26  -5.719  -3.242  14.532
  226    HA   VAL  26           HA       VAL  26  -8.495  -2.923  15.536
  227    HB   VAL  26           HB       VAL  26  -9.476  -3.764  13.449
  228   HG11  VAL  26          1HG1      VAL  26  -9.409  -1.312  13.872
  229   HG12  VAL  26          2HG1      VAL  26  -7.942  -1.207  12.866
  230   HG13  VAL  26          3HG1      VAL  26  -9.476  -1.745  12.161
  231   HG21  VAL  26          3HG2      VAL  26  -8.252  -3.783  11.330
  232   HG22  VAL  26          1HG2      VAL  26  -6.741  -3.350  12.159
  233   HG23  VAL  26          2HG2      VAL  26  -7.524  -4.915  12.465
  234    H    GLY  27           H        GLY  27  -9.728  -5.061  15.247
  235    HA2  GLY  27           1HA      GLY  27  -9.883  -7.384  15.238
  236    HA3  GLY  27           2HA      GLY  27  -8.130  -7.511  15.013
  237    H    ASN  28           H        ASN  28  -8.951  -9.345  16.518
  238    HA   ASN  28           HA       ASN  28  -9.456  -8.837  19.278
  239    HB2  ASN  28           1HB      ASN  28 -10.030 -10.914  18.032
  240    HB3  ASN  28           2HB      ASN  28  -8.315 -11.318  17.921
  241   HD21  ASN  28          2HD2      ASN  28 -11.159 -11.532  19.899
  242   HD22  ASN  28          1HD2      ASN  28 -10.364 -12.214  21.307
  243    H    LYS  29           H        LYS  29  -8.149  -8.711  21.060
  244    HA   LYS  29           HA       LYS  29  -5.595  -7.597  20.951
  245    HB2  LYS  29           1HB      LYS  29  -7.188  -7.463  22.809
  246    HB3  LYS  29           2HB      LYS  29  -6.967  -9.180  23.174
  247    HG2  LYS  29           1HG      LYS  29  -4.617  -8.798  23.770
  248    HG3  LYS  29           2HG      LYS  29  -4.739  -7.108  23.295
  249    HD2  LYS  29           1HD      LYS  29  -6.260  -8.480  25.559
  250    HD3  LYS  29           2HD      LYS  29  -4.836  -7.473  25.772
  251    HE2  LYS  29           1HE      LYS  29  -7.522  -6.510  24.672
  252    HE3  LYS  29           2HE      LYS  29  -6.983  -6.333  26.340
  253    HZ1  LYS  29           3HZ      LYS  29  -6.556  -4.321  25.094
  254    HZ2  LYS  29           1HZ      LYS  29  -5.131  -4.974  25.548
  255    HZ3  LYS  29           2HZ      LYS  29  -5.638  -5.107  23.996
  256    H    ASN  30           H        ASN  30  -6.362 -11.053  21.267
  257    HA   ASN  30           HA       ASN  30  -3.654 -11.888  21.814
  258    HB2  ASN  30           1HB      ASN  30  -5.755 -13.072  22.518
  259    HB3  ASN  30           2HB      ASN  30  -6.026 -13.521  20.835
  260   HD21  ASN  30          2HD2      ASN  30  -5.531 -15.693  20.611
  261   HD22  ASN  30          1HD2      ASN  30  -4.124 -16.461  21.327
  262    H    ARG  31           H        ARG  31  -5.207 -11.083  18.831
  263    HA   ARG  31           HA       ARG  31  -2.769 -11.711  17.343
  264    HB2  ARG  31           1HB      ARG  31  -4.170 -13.800  17.211
  265    HB3  ARG  31           2HB      ARG  31  -5.397 -12.877  16.340
  266    HG2  ARG  31           1HG      ARG  31  -3.732 -12.379  14.550
  267    HG3  ARG  31           2HG      ARG  31  -2.477 -13.215  15.483
  268    HD2  ARG  31           1HD      ARG  31  -3.749 -15.330  15.314
  269    HD3  ARG  31           2HD      ARG  31  -5.012 -14.497  14.382
  270    HE   ARG  31           HE       ARG  31  -2.492 -14.063  13.124
  271   HH11  ARG  31          1HH1      ARG  31  -4.754 -16.741  13.608
  272   HH12  ARG  31          2HH1      ARG  31  -4.235 -17.560  12.166
  273   HH21  ARG  31          1HH2      ARG  31  -1.869 -15.174  11.276
  274   HH22  ARG  31          2HH2      ARG  31  -2.625 -16.684  10.868
  275    H    GLN  32           H        GLN  32  -2.918  -9.402  17.768
  276    HA   GLN  32           HA       GLN  32  -4.963  -7.739  16.666
  277    HB2  GLN  32           1HB      GLN  32  -3.517  -7.227  18.637
  278    HB3  GLN  32           2HB      GLN  32  -2.134  -7.018  17.553
  279    HG2  GLN  32           1HG      GLN  32  -3.232  -5.080  16.489
  280    HG3  GLN  32           2HG      GLN  32  -4.707  -5.381  17.417
  281   HE21  GLN  32          2HE2      GLN  32  -4.886  -3.718  18.933
  282   HE22  GLN  32          1HE2      GLN  32  -3.540  -3.151  19.907
  283    H    LYS  33           H        LYS  33  -4.851  -6.196  15.014
  284    HA   LYS  33           HA       LYS  33  -3.075  -6.762  12.681
  285    HB2  LYS  33           1HB      LYS  33  -6.122  -6.694  12.836
  286    HB3  LYS  33           2HB      LYS  33  -5.221  -6.653  11.323
  287    HG2  LYS  33           1HG      LYS  33  -4.224  -8.872  11.851
  288    HG3  LYS  33           2HG      LYS  33  -5.090  -8.887  13.394
  289    HD2  LYS  33           1HD      LYS  33  -7.268  -8.743  12.092
  290    HD3  LYS  33           2HD      LYS  33  -6.312  -8.948  10.617
  291    HE2  LYS  33           1HE      LYS  33  -7.124 -11.120  11.208
  292    HE3  LYS  33           2HE      LYS  33  -5.396 -11.103  11.570
  293    HZ1  LYS  33           3HZ      LYS  33  -6.681 -12.100  13.371
  294    HZ2  LYS  33           1HZ      LYS  33  -5.987 -10.725  13.933
  295    HZ3  LYS  33           2HZ      LYS  33  -7.582 -10.756  13.557
  296    H    PHE  34           H        PHE  34  -3.364  -5.094  10.960
  297    HA   PHE  34           HA       PHE  34  -3.938  -2.376  12.041
  298    HB2  PHE  34           1HB      PHE  34  -1.409  -3.256  10.600
  299    HB3  PHE  34           2HB      PHE  34  -1.828  -1.594  10.993
  300    HD1  PHE  34           1HD      PHE  34  -1.939  -0.831  13.382
  301    HD2  PHE  34           2HD      PHE  34  -0.558  -4.770  12.309
  302    HE1  PHE  34           1HE      PHE  34  -0.960  -1.113  15.651
  303    HE2  PHE  34           2HE      PHE  34   0.429  -5.043  14.569
  304    HZ   PHE  34           HZ       PHE  34   0.223  -3.216  16.246
  305    H    MET  35           H        MET  35  -4.802  -0.988  10.700
  306    HA   MET  35           HA       MET  35  -5.172  -1.636   7.799
  307    HB2  MET  35           1HB      MET  35  -6.804   0.328   9.453
  308    HB3  MET  35           2HB      MET  35  -7.100  -0.217   7.801
  309    HG2  MET  35           1HG      MET  35  -7.352  -2.591   8.819
  310    HG3  MET  35           2HG      MET  35  -7.363  -1.772  10.381
  311    HE1  MET  35           3HE      MET  35 -10.659  -1.605   7.156
  312    HE2  MET  35           1HE      MET  35  -9.032  -0.980   6.830
  313    HE3  MET  35           2HE      MET  35  -9.269  -2.708   7.180
  314    H    CYS  36           H        CYS  36  -4.874   0.143   6.334
  315    HA   CYS  36           HA       CYS  36  -3.450   2.521   7.349
  316    HB2  CYS  36           1HB      CYS  36  -1.750   0.728   7.068
  317    HB3  CYS  36           2HB      CYS  36  -2.242   0.541   5.370
  318    HG   CYS  36           HG       CYS  36  -1.312   3.408   6.779
  319    H    GLU  37           H        GLU  37  -3.348   4.229   5.970
  320    HA   GLU  37           HA       GLU  37  -4.691   4.099   3.325
  321    HB2  GLU  37           1HB      GLU  37  -5.122   6.196   5.494
  322    HB3  GLU  37           2HB      GLU  37  -5.531   6.435   3.790
  323    HG2  GLU  37           1HG      GLU  37  -7.097   4.530   3.872
  324    HG3  GLU  37           2HG      GLU  37  -6.700   4.262   5.574
  325    H    VAL  38           H        VAL  38  -3.786   5.519   1.787
  326    HA   VAL  38           HA       VAL  38  -1.576   7.298   2.625
  327    HB   VAL  38           HB       VAL  38  -0.553   5.128   1.965
  328   HG11  VAL  38          1HG1      VAL  38  -2.155   4.517   0.142
  329   HG12  VAL  38          2HG1      VAL  38  -1.432   5.792  -0.866
  330   HG13  VAL  38          3HG1      VAL  38  -0.449   4.421  -0.332
  331   HG21  VAL  38          3HG2      VAL  38   1.191   6.096   0.521
  332   HG22  VAL  38          1HG2      VAL  38   0.157   7.461   0.119
  333   HG23  VAL  38          2HG2      VAL  38   0.730   7.244   1.788
  334    H    ARG  39           H        ARG  39  -1.253   9.072   1.433
  335    HA   ARG  39           HA       ARG  39  -2.975   9.645  -0.929
  336    HB2  ARG  39           1HB      ARG  39  -2.640  11.621   1.364
  337    HB3  ARG  39           2HB      ARG  39  -3.703  11.726  -0.029
  338    HG2  ARG  39           1HG      ARG  39  -5.245  11.166   1.541
  339    HG3  ARG  39           2HG      ARG  39  -4.811   9.539   1.019
  340    HD2  ARG  39           1HD      ARG  39  -3.205   9.415   2.977
  341    HD3  ARG  39           2HD      ARG  39  -3.706  11.047   3.429
  342    HE   ARG  39           HE       ARG  39  -5.883   9.076   3.212
  343   HH11  ARG  39          1HH1      ARG  39  -3.619  10.660   5.479
  344   HH12  ARG  39          2HH1      ARG  39  -4.610  10.145   6.844
  345   HH21  ARG  39          1HH2      ARG  39  -6.976   8.442   5.136
  346   HH22  ARG  39          2HH2      ARG  39  -6.320   9.032   6.669
  347    H    VAL  40           H        VAL  40  -2.254  11.596  -2.082
  348    HA   VAL  40           HA       VAL  40   0.522  12.540  -1.601
  349    HB   VAL  40           HB       VAL  40  -0.440  11.561  -4.324
  350   HG11  VAL  40          1HG1      VAL  40   1.079  13.485  -4.544
  351   HG12  VAL  40          2HG1      VAL  40   2.251  12.717  -3.451
  352   HG13  VAL  40          3HG1      VAL  40   1.902  12.012  -5.044
  353   HG21  VAL  40          3HG2      VAL  40   1.369   9.862  -4.158
  354   HG22  VAL  40          1HG2      VAL  40   1.711  10.387  -2.501
  355   HG23  VAL  40          2HG2      VAL  40   0.159   9.622  -2.898
  356    H    GLU  41           H        GLU  41   0.746  14.691  -2.022
  357    HA   GLU  41           HA       GLU  41  -1.555  16.329  -2.105
  358    HB2  GLU  41           1HB      GLU  41   0.628  16.919  -1.090
  359    HB3  GLU  41           2HB      GLU  41   1.335  17.084  -2.703
  360    HG2  GLU  41           1HG      GLU  41  -0.238  18.928  -3.213
  361    HG3  GLU  41           2HG      GLU  41  -1.028  18.706  -1.649
  362    H    GLY  42           H        GLY  42  -2.742  17.197  -3.689
  363    HA2  GLY  42           1HA      GLY  42  -3.217  18.169  -5.777
  364    HA3  GLY  42           2HA      GLY  42  -1.743  17.458  -6.473
  365    H    PHE  43           H        PHE  43  -3.242  14.963  -4.853
  366    HA   PHE  43           HA       PHE  43  -4.828  14.104  -7.244
  367    HB2  PHE  43           1HB      PHE  43  -3.280  12.461  -5.210
  368    HB3  PHE  43           2HB      PHE  43  -4.301  11.805  -6.477
  369    HD1  PHE  43           1HD      PHE  43  -1.123  13.567  -5.770
  370    HD2  PHE  43           2HD      PHE  43  -3.611  11.871  -8.853
  371    HE1  PHE  43           1HE      PHE  43   0.738  13.763  -7.382
  372    HE2  PHE  43           2HE      PHE  43  -1.733  12.049 -10.462
  373    HZ   PHE  43           HZ       PHE  43   0.445  13.001  -9.735
  374    H    ASN  44           H        ASN  44  -6.852  13.305  -6.992
  375    HA   ASN  44           HA       ASN  44  -8.267  14.244  -4.631
  376    HB2  ASN  44           1HB      ASN  44 -10.243  13.950  -5.950
  377    HB3  ASN  44           2HB      ASN  44  -9.006  14.672  -6.969
  378   HD21  ASN  44          2HD2      ASN  44 -11.104  11.899  -6.519
  379   HD22  ASN  44          1HD2      ASN  44 -10.597  11.050  -7.969
  380    H    TYR  45           H        TYR  45  -6.778  11.346  -5.073
  381    HA   TYR  45           HA       TYR  45  -8.919   9.653  -3.869
  382    HB2  TYR  45           1HB      TYR  45  -8.076   9.152  -6.152
  383    HB3  TYR  45           2HB      TYR  45  -6.462   8.919  -5.488
  384    HD1  TYR  45           2HD      TYR  45  -9.992   7.668  -5.273
  385    HD2  TYR  45           1HD      TYR  45  -5.813   6.759  -4.733
  386    HE1  TYR  45           2HE      TYR  45 -10.564   5.277  -4.903
  387    HE2  TYR  45           1HE      TYR  45  -6.380   4.360  -4.362
  388    HH   TYR  45           HH       TYR  45  -9.764   3.165  -4.491
  389    H    ALA  46           H        ALA  46  -8.302   7.954  -2.420
  390    HA   ALA  46           HA       ALA  46  -5.690   8.159  -1.035
  391    HB1  ALA  46           1HB      ALA  46  -7.274   9.424   0.372
  392    HB2  ALA  46           2HB      ALA  46  -8.399   8.049   0.371
  393    HB3  ALA  46           3HB      ALA  46  -6.815   7.897   1.157
  394    H    GLY  47           H        GLY  47  -4.758   6.252  -1.258
  395    HA2  GLY  47           1HA      GLY  47  -6.297   3.798  -1.892
  396    HA3  GLY  47           2HA      GLY  47  -4.530   3.971  -1.919
  397    H    MET  48           H        MET  48  -6.217   1.921  -0.626
  398    HA   MET  48           HA       MET  48  -5.268   2.190   2.173
  399    HB2  MET  48           1HB      MET  48  -7.501   1.688   3.011
  400    HB3  MET  48           2HB      MET  48  -7.470   3.186   2.084
  401    HG2  MET  48           1HG      MET  48  -8.403   1.948   0.110
  402    HG3  MET  48           2HG      MET  48  -8.481   0.492   1.094
  403    HE1  MET  48           3HE      MET  48 -11.154   4.248   1.498
  404    HE2  MET  48           1HE      MET  48  -9.439   4.329   1.938
  405    HE3  MET  48           2HE      MET  48  -9.910   3.973   0.262
  406    H    GLY  49           H        GLY  49  -5.200   0.370   3.429
  407    HA2  GLY  49           1HA      GLY  49  -5.508  -2.328   2.238
  408    HA3  GLY  49           2HA      GLY  49  -3.868  -1.779   2.573
  409    H    ASN  50           H        ASN  50  -4.559  -4.002   3.812
  410    HA   ASN  50           HA       ASN  50  -4.224  -3.267   6.564
  411    HB2  ASN  50           1HB      ASN  50  -6.125  -4.401   7.545
  412    HB3  ASN  50           2HB      ASN  50  -6.705  -3.155   6.453
  413   HD21  ASN  50          2HD2      ASN  50  -7.876  -3.796   4.541
  414   HD22  ASN  50          1HD2      ASN  50  -8.381  -5.459   4.310
  415    H    SER  51           H        SER  51  -3.583  -5.029   7.946
  416    HA   SER  51           HA       SER  51  -3.201  -7.725   6.990
  417    HB2  SER  51           1HB      SER  51  -1.485  -6.376   5.623
  418    HB3  SER  51           2HB      SER  51  -0.633  -6.111   7.148
  419    HG   SER  51           HG       SER  51  -0.283  -8.088   5.616
  420    H    THR  52           H        THR  52  -1.177  -8.661   8.476
  421    HA   THR  52           HA       THR  52  -2.020  -8.377  11.278
  422    HB   THR  52           HB       THR  52  -0.249 -10.086  11.669
  423    HG1  THR  52           1HG      THR  52   0.748 -10.942   9.779
  424   HG21  THR  52          3HG2      THR  52  -1.340 -11.921  10.498
  425   HG22  THR  52          1HG2      THR  52  -2.564 -10.770  11.061
  426   HG23  THR  52          2HG2      THR  52  -2.097 -10.801   9.345
  427    H    ASN  53           H        ASN  53   0.139  -6.672   9.331
  428    HA   ASN  53           HA       ASN  53   1.619  -5.546  11.622
  429    HB2  ASN  53           1HB      ASN  53   3.776  -6.079  10.665
  430    HB3  ASN  53           2HB      ASN  53   2.870  -7.570  10.904
  431   HD21  ASN  53          2HD2      ASN  53   1.980  -8.677   8.968
  432   HD22  ASN  53          1HD2      ASN  53   2.657  -8.302   7.394
  433    H    LYS  54           H        LYS  54   2.681  -3.582  11.195
  434    HA   LYS  54           HA       LYS  54   1.185  -1.827   9.523
  435    HB2  LYS  54           1HB      LYS  54   3.819  -1.454  11.015
  436    HB3  LYS  54           2HB      LYS  54   2.903  -0.147  10.264
  437    HG2  LYS  54           1HG      LYS  54   0.935  -0.707  11.709
  438    HG3  LYS  54           2HG      LYS  54   1.908  -1.946  12.521
  439    HD2  LYS  54           1HD      LYS  54   3.548  -0.209  13.210
  440    HD3  LYS  54           2HD      LYS  54   2.549   1.036  12.427
  441    HE2  LYS  54           1HE      LYS  54   0.652   0.458  13.923
  442    HE3  LYS  54           2HE      LYS  54   1.629  -0.803  14.685
  443    HZ1  LYS  54           3HZ      LYS  54   1.650   1.239  15.992
  444    HZ2  LYS  54           1HZ      LYS  54   3.157   0.928  15.450
  445    HZ3  LYS  54           2HZ      LYS  54   2.259   2.101  14.745
  446    H    LYS  55           H        LYS  55   4.261  -3.453   8.839
  447    HA   LYS  55           HA       LYS  55   5.030  -1.774   6.596
  448    HB2  LYS  55           1HB      LYS  55   5.802  -4.575   7.515
  449    HB3  LYS  55           2HB      LYS  55   6.453  -3.836   6.051
  450    HG2  LYS  55           1HG      LYS  55   7.390  -1.969   7.327
  451    HG3  LYS  55           2HG      LYS  55   6.638  -2.555   8.811
  452    HD2  LYS  55           1HD      LYS  55   9.015  -3.110   8.782
  453    HD3  LYS  55           2HD      LYS  55   8.014  -4.553   8.818
  454    HE2  LYS  55           1HE      LYS  55   9.916  -4.884   7.348
  455    HE3  LYS  55           2HE      LYS  55   8.417  -4.954   6.420
  456    HZ1  LYS  55           3HZ      LYS  55  10.241  -3.617   5.395
  457    HZ2  LYS  55           1HZ      LYS  55   8.847  -2.800   5.539
  458    HZ3  LYS  55           2HZ      LYS  55  10.090  -2.506   6.585
  459    H    ASP  56           H        ASP  56   3.393  -4.976   6.705
  460    HA   ASP  56           HA       ASP  56   2.918  -4.980   3.858
  461    HB2  ASP  56           1HB      ASP  56   3.169  -6.981   5.340
  462    HB3  ASP  56           2HB      ASP  56   1.575  -6.639   6.002
  463    H    ALA  57           H        ALA  57   0.975  -3.859   6.637
  464    HA   ALA  57           HA       ALA  57  -1.436  -3.332   5.160
  465    HB1  ALA  57           1HB      ALA  57  -1.296  -3.352   7.640
  466    HB2  ALA  57           2HB      ALA  57  -0.309  -1.873   7.596
  467    HB3  ALA  57           3HB      ALA  57  -1.992  -1.841   7.030
  468    H    GLN  58           H        GLN  58   1.419  -1.206   5.777
  469    HA   GLN  58           HA       GLN  58   0.533   0.978   4.109
  470    HB2  GLN  58           1HB      GLN  58   3.278   0.022   5.011
  471    HB3  GLN  58           2HB      GLN  58   3.045   1.436   3.984
  472    HG2  GLN  58           1HG      GLN  58   1.821   2.621   5.664
  473    HG3  GLN  58           2HG      GLN  58   1.719   1.195   6.704
  474   HE21  GLN  58          2HE2      GLN  58   3.726   0.403   7.686
  475   HE22  GLN  58          1HE2      GLN  58   5.066   1.530   7.941
  476    H    SER  59           H        SER  59   2.447  -1.979   3.340
  477    HA   SER  59           HA       SER  59   2.956  -1.260   0.614
  478    HB2  SER  59           1HB      SER  59   2.692  -4.001   1.906
  479    HB3  SER  59           2HB      SER  59   3.314  -3.703   0.286
  480    HG   SER  59           HG       SER  59   4.431  -2.827   2.759
  481    H    ASN  60           H        ASN  60   0.112  -2.845   2.090
  482    HA   ASN  60           HA       ASN  60  -1.200  -3.309  -0.479
  483    HB2  ASN  60           1HB      ASN  60  -2.096  -3.418   2.412
  484    HB3  ASN  60           2HB      ASN  60  -3.266  -3.475   1.093
  485   HD21  ASN  60          2HD2      ASN  60  -0.789  -5.309   2.762
  486   HD22  ASN  60          1HD2      ASN  60  -1.095  -6.805   1.904
  487    H    ALA  61           H        ALA  61  -1.348  -0.657   1.963
  488    HA   ALA  61           HA       ALA  61  -3.328   0.906   0.593
  489    HB1  ALA  61           1HB      ALA  61  -2.591   1.257   2.961
  490    HB2  ALA  61           2HB      ALA  61  -1.019   1.837   2.364
  491    HB3  ALA  61           3HB      ALA  61  -2.498   2.742   1.995
  492    H    ALA  62           H        ALA  62   0.239   0.902   0.315
  493    HA   ALA  62           HA       ALA  62   0.442   2.876  -1.728
  494    HB1  ALA  62           1HB      ALA  62   2.300   2.017  -0.311
  495    HB2  ALA  62           2HB      ALA  62   2.232   0.466  -1.165
  496    HB3  ALA  62           3HB      ALA  62   2.683   1.942  -2.048
  497    H    ARG  63           H        ARG  63   0.240  -0.733  -2.053
  498    HA   ARG  63           HA       ARG  63   0.259  -0.797  -4.844
  499    HB2  ARG  63           1HB      ARG  63   0.411  -2.799  -3.309
  500    HB3  ARG  63           2HB      ARG  63  -1.304  -2.642  -2.977
  501    HG2  ARG  63           1HG      ARG  63  -0.925  -4.395  -4.617
  502    HG3  ARG  63           2HG      ARG  63  -1.838  -3.083  -5.347
  503    HD2  ARG  63           1HD      ARG  63   0.436  -2.241  -6.297
  504    HD3  ARG  63           2HD      ARG  63   1.102  -3.772  -5.739
  505    HE   ARG  63           HE       ARG  63   0.028  -4.872  -7.465
  506   HH11  ARG  63          1HH2      ARG  63  -1.431  -1.622  -7.299
  507   HH12  ARG  63          2HH2      ARG  63  -2.022  -1.741  -8.929
  508   HH21  ARG  63          1HH1      ARG  63  -0.887  -4.964  -9.496
  509   HH22  ARG  63          2HH1      ARG  63  -1.801  -3.627 -10.115
  510    H    ASP  64           H        ASP  64  -2.519  -0.252  -2.698
  511    HA   ASP  64           HA       ASP  64  -4.511  -0.214  -4.765
  512    HB2  ASP  64           1HB      ASP  64  -4.842  -0.734  -2.348
  513    HB3  ASP  64           2HB      ASP  64  -4.557   0.964  -1.967
  514    H    PHE  65           H        PHE  65  -2.573   2.428  -3.236
  515    HA   PHE  65           HA       PHE  65  -3.895   4.514  -4.774
  516    HB2  PHE  65           1HB      PHE  65  -2.657   4.877  -2.627
  517    HB3  PHE  65           2HB      PHE  65  -1.148   4.580  -3.475
  518    HD1  PHE  65           1HD      PHE  65  -4.057   6.872  -3.135
  519    HD2  PHE  65           2HD      PHE  65  -0.229   6.276  -5.009
  520    HE1  PHE  65           1HE      PHE  65  -4.062   9.234  -3.894
  521    HE2  PHE  65           2HE      PHE  65  -0.220   8.660  -5.722
  522    HZ   PHE  65           HZ       PHE  65  -2.147  10.125  -5.200
  523    H    VAL  66           H        VAL  66  -0.944   2.557  -5.301
  524    HA   VAL  66           HA       VAL  66  -0.172   3.767  -7.784
  525    HB   VAL  66           HB       VAL  66   0.228   0.946  -6.729
  526   HG11  VAL  66          1HG1      VAL  66   0.455   0.732  -9.142
  527   HG12  VAL  66          2HG1      VAL  66   1.425   2.221  -9.228
  528   HG13  VAL  66          3HG1      VAL  66   2.071   0.770  -8.432
  529   HG21  VAL  66          3HG2      VAL  66   2.451   1.726  -6.191
  530   HG22  VAL  66          1HG2      VAL  66   2.170   3.272  -7.034
  531   HG23  VAL  66          2HG2      VAL  66   1.296   2.900  -5.544
  532    H    ASN  67           H        ASN  67  -2.546   1.224  -7.056
  533    HA   ASN  67           HA       ASN  67  -3.247   0.595  -9.767
  534    HB2  ASN  67           1HB      ASN  67  -4.221  -0.989  -8.530
  535    HB3  ASN  67           2HB      ASN  67  -4.216  -0.011  -7.076
  536   HD21  ASN  67          2HD2      ASN  67  -6.008   1.323  -6.560
  537   HD22  ASN  67          1HD2      ASN  67  -7.549   1.062  -7.334
  538    H    TYR  68           H        TYR  68  -4.485   3.186  -7.586
  539    HA   TYR  68           HA       TYR  68  -6.263   4.361  -9.530
  540    HB2  TYR  68           1HB      TYR  68  -6.678   5.028  -7.382
  541    HB3  TYR  68           2HB      TYR  68  -4.997   5.220  -6.954
  542    HD1  TYR  68           1HD      TYR  68  -7.805   6.817  -8.833
  543    HD2  TYR  68           2HD      TYR  68  -3.854   7.299  -7.167
  544    HE1  TYR  68           1HE      TYR  68  -7.966   9.278  -9.161
  545    HE2  TYR  68           2HE      TYR  68  -4.000   9.745  -7.514
  546    HH   TYR  68           HH       TYR  68  -6.960  11.319  -8.816
  547    H    LEU  69           H        LEU  69  -2.800   5.083  -8.782
  548    HA   LEU  69           HA       LEU  69  -2.479   7.118 -10.741
  549    HB2  LEU  69           1HB      LEU  69  -0.440   5.139  -9.675
  550    HB3  LEU  69           2HB      LEU  69  -0.080   6.561 -10.648
  551    HG   LEU  69           HG       LEU  69  -1.340   6.693  -7.888
  552   HD11  LEU  69          1HD1      LEU  69   0.944   5.813  -7.795
  553   HD12  LEU  69          2HD1      LEU  69   1.519   7.120  -8.846
  554   HD13  LEU  69          3HD1      LEU  69   0.935   7.482  -7.216
  555   HD21  LEU  69          3HD2      LEU  69  -0.707   9.115  -8.064
  556   HD22  LEU  69          1HD2      LEU  69  -0.304   8.853  -9.774
  557   HD23  LEU  69          2HD2      LEU  69  -1.972   8.641  -9.196
  558    H    VAL  70           H        VAL  70  -2.204   3.593 -11.183
  559    HA   VAL  70           HA       VAL  70  -1.476   3.749 -13.972
  560    HB   VAL  70           HB       VAL  70  -2.845   1.528 -12.416
  561   HG11  VAL  70          1HG1      VAL  70  -3.416   1.196 -14.782
  562   HG12  VAL  70          2HG1      VAL  70  -1.722   1.455 -15.255
  563   HG13  VAL  70          3HG1      VAL  70  -2.190   0.026 -14.303
  564   HG21  VAL  70          3HG2      VAL  70  -0.662   0.455 -12.444
  565   HG22  VAL  70          1HG2      VAL  70   0.019   1.765 -13.436
  566   HG23  VAL  70          2HG2      VAL  70  -0.486   2.079 -11.769
  567    H    ARG  71           H        ARG  71  -4.654   3.494 -12.352
  568    HA   ARG  71           HA       ARG  71  -6.224   3.409 -14.743
  569    HB2  ARG  71           1HB      ARG  71  -6.890   4.261 -11.910
  570    HB3  ARG  71           2HB      ARG  71  -8.092   4.233 -13.202
  571    HG2  ARG  71           1HG      ARG  71  -7.799   1.858 -13.564
  572    HG3  ARG  71           2HG      ARG  71  -6.437   1.792 -12.444
  573    HD2  ARG  71           1HD      ARG  71  -7.976   2.570 -10.605
  574    HD3  ARG  71           2HD      ARG  71  -9.333   2.438 -11.727
  575    HE   ARG  71           HE       ARG  71  -7.788   0.281 -10.440
  576   HH11  ARG  71          1HH1      ARG  71 -10.165   0.913 -12.994
  577   HH12  ARG  71          2HH1      ARG  71 -10.686  -0.745 -13.024
  578   HH21  ARG  71          1HH2      ARG  71  -8.491  -1.784 -10.527
  579   HH22  ARG  71          2HH2      ARG  71  -9.742  -2.265 -11.639
  580    H    ILE  72           H        ILE  72  -4.842   6.199 -13.069
  581    HA   ILE  72           HA       ILE  72  -6.083   8.023 -15.091
  582    HB   ILE  72           HB       ILE  72  -5.308   9.868 -13.799
  583   HG12  ILE  72          1HG1      ILE  72  -4.191   8.015 -11.684
  584   HG13  ILE  72          2HG1      ILE  72  -3.166   8.691 -12.943
  585   HG21  ILE  72          1HG2      ILE  72  -7.457   8.740 -13.222
  586   HG22  ILE  72          2HG2      ILE  72  -6.618   7.822 -11.953
  587   HG23  ILE  72          3HG2      ILE  72  -6.738   9.590 -11.850
  588   HD11  ILE  72          3HD1      ILE  72  -3.005  10.026 -10.927
  589   HD12  ILE  72          1HD1      ILE  72  -3.779  10.982 -12.208
  590   HD13  ILE  72          2HD1      ILE  72  -4.757  10.284 -10.898
  591    H    ASN  73           H        ASN  73  -3.560   6.051 -15.301
  592    HA   ASN  73           HA       ASN  73  -1.887   5.832 -16.729
  593    HB2  ASN  73           1HB      ASN  73  -2.784   8.406 -18.073
  594    HB3  ASN  73           2HB      ASN  73  -1.815   7.117 -18.767
  595   HD21  ASN  73          2HD2      ASN  73  -4.985   8.283 -18.491
  596   HD22  ASN  73          1HD2      ASN  73  -5.811   6.821 -19.000
  597    H    GLU  74           H        GLU  74  -1.496   7.600 -14.267
  598    HA   GLU  74           HA       GLU  74   0.919   9.163 -15.006
  599    HB2  GLU  74           1HB      GLU  74  -0.616   8.849 -12.401
  600    HB3  GLU  74           2HB      GLU  74   0.845   9.810 -12.581
  601    HG2  GLU  74           1HG      GLU  74  -1.769  10.299 -14.050
  602    HG3  GLU  74           2HG      GLU  74  -1.145  11.220 -12.688
  603    H    VAL  75           H        VAL  75   0.277   5.992 -14.172
  604    HA   VAL  75           HA       VAL  75   3.179   5.432 -13.848
  605    HB   VAL  75           HB       VAL  75   0.954   4.141 -12.187
  606   HG11  VAL  75          1HG1      VAL  75   2.560   2.392 -12.857
  607   HG12  VAL  75          2HG1      VAL  75   3.923   3.448 -12.375
  608   HG13  VAL  75          3HG1      VAL  75   2.804   2.790 -11.163
  609   HG21  VAL  75          3HG2      VAL  75   2.090   4.908 -10.224
  610   HG22  VAL  75          1HG2      VAL  75   3.494   5.433 -11.162
  611   HG23  VAL  75          2HG2      VAL  75   1.970   6.328 -11.277
  612    H    LYS  76           H        LYS  76   3.804   3.676 -15.144
  613    HA   LYS  76           HA       LYS  76   1.714   2.341 -16.804
  614    HB2  LYS  76           1HB      LYS  76   4.751   2.120 -16.843
  615    HB3  LYS  76           2HB      LYS  76   3.639   1.237 -17.891
  616    HG2  LYS  76           1HG      LYS  76   2.747   3.587 -18.599
  617    HG3  LYS  76           2HG      LYS  76   4.251   4.208 -17.899
  618    HD2  LYS  76           1HD      LYS  76   3.974   2.111 -20.100
  619    HD3  LYS  76           2HD      LYS  76   4.459   3.791 -20.340
  620    HE2  LYS  76           1HE      LYS  76   6.556   3.465 -19.216
  621    HE3  LYS  76           2HE      LYS  76   6.046   1.909 -18.546
  622    HZ1  LYS  76           3HZ      LYS  76   7.507   1.625 -20.459
  623    HZ2  LYS  76           1HZ      LYS  76   6.036   0.958 -20.728
  624    HZ3  LYS  76           2HZ      LYS  76   6.439   2.389 -21.438
  625    H    SER  77           H        SER  77   0.950   0.322 -16.348
  626    HA   SER  77           HA       SER  77   1.390  -1.036 -13.907
  627    HB2  SER  77           1HB      SER  77   0.308  -2.960 -15.082
  628    HB3  SER  77           2HB      SER  77  -0.578  -1.432 -15.189
  629    HG   SER  77           HG       SER  77  -0.437  -2.521 -17.238
  630    H    GLU  78           H        GLU  78   3.038  -1.444 -17.018
  631    HA   GLU  78           HA       GLU  78   4.592  -3.697 -16.686
  632    HB2  GLU  78           1HB      GLU  78   5.507  -1.036 -17.856
  633    HB3  GLU  78           2HB      GLU  78   6.229  -2.616 -18.176
  634    HG2  GLU  78           1HG      GLU  78   4.069  -3.369 -19.189
  635    HG3  GLU  78           2HG      GLU  78   3.424  -1.735 -18.975
  636    H    GLU  79           H        GLU  79   5.067  -0.625 -14.990
  637    HA   GLU  79           HA       GLU  79   7.782  -1.344 -14.060
  638    HB2  GLU  79           1HB      GLU  79   6.010   1.086 -13.577
  639    HB3  GLU  79           2HB      GLU  79   7.660   0.906 -13.016
  640    HG2  GLU  79           1HG      GLU  79   6.766   0.999 -15.931
  641    HG3  GLU  79           2HG      GLU  79   7.519   2.310 -15.036
  642    H    VAL  80           H        VAL  80   4.585  -1.833 -12.934
  643    HA   VAL  80           HA       VAL  80   5.011  -1.139 -10.157
  644    HB   VAL  80           HB       VAL  80   2.705  -2.679 -11.400
  645   HG11  VAL  80          1HG1      VAL  80   2.759  -3.106  -8.994
  646   HG12  VAL  80          2HG1      VAL  80   3.032  -1.384  -8.660
  647   HG13  VAL  80          3HG1      VAL  80   1.480  -1.936  -9.330
  648   HG21  VAL  80          3HG2      VAL  80   1.515  -0.511 -11.271
  649   HG22  VAL  80          1HG2      VAL  80   3.001   0.274 -10.685
  650   HG23  VAL  80          2HG2      VAL  80   2.924  -0.392 -12.324
  651    HA   PRO  81           HA       PRO  81   6.680  -5.236  -9.132
  652    HB2  PRO  81           1HB      PRO  81   7.428  -4.807  -6.557
  653    HB3  PRO  81           2HB      PRO  81   8.294  -4.067  -7.940
  654    HG2  PRO  81           1HG      PRO  81   6.167  -2.811  -6.186
  655    HG3  PRO  81           2HG      PRO  81   7.748  -2.128  -6.680
  656    HD2  PRO  81           1HD      PRO  81   5.391  -1.541  -7.978
  657    HD3  PRO  81           2HD      PRO  81   6.955  -1.614  -8.830
  658    H    ALA  82           H        ALA  82   5.871  -7.074  -8.204
  659    HA   ALA  82           HA       ALA  82   3.817  -7.054  -6.135
  660    HB1  ALA  82           1HB      ALA  82   2.482  -6.602  -8.179
  661    HB2  ALA  82           2HB      ALA  82   3.180  -8.037  -8.962
  662    HB3  ALA  82           3HB      ALA  82   2.124  -8.217  -7.544
  663    H    VAL  83           H        VAL  83   3.263  -9.260  -5.434
  664    HA   VAL  83           HA       VAL  83   5.569 -10.918  -5.239
  665    HB   VAL  83           HB       VAL  83   3.168 -12.359  -4.418
  666   HG11  VAL  83          1HG1      VAL  83   5.473 -12.668  -3.550
  667   HG12  VAL  83          2HG1      VAL  83   5.413 -11.031  -2.855
  668   HG13  VAL  83          3HG1      VAL  83   4.327 -12.302  -2.246
  669   HG21  VAL  83          3HG2      VAL  83   2.354 -10.915  -2.638
  670   HG22  VAL  83          1HG2      VAL  83   3.362  -9.575  -3.214
  671   HG23  VAL  83          2HG2      VAL  83   2.026 -10.201  -4.219
  672    H    GLY  84           H        GLY  84   3.225 -10.855  -7.692
  673    HA2  GLY  84           1HA      GLY  84   4.362 -13.092  -9.099
  674    HA3  GLY  84           2HA      GLY  84   2.751 -13.471  -8.510
  675    H    ILE  85           H        ILE  85   2.877 -13.593 -11.069
  676    HA   ILE  85           HA       ILE  85   1.644 -11.092 -12.178
  677    HB   ILE  85           HB       ILE  85   3.441 -13.045 -13.672
  678   HG12  ILE  85          1HG1      ILE  85   3.941 -10.165 -12.783
  679   HG13  ILE  85          2HG1      ILE  85   4.743 -11.601 -12.149
  680   HG21  ILE  85          1HG2      ILE  85   1.597 -12.097 -15.070
  681   HG22  ILE  85          2HG2      ILE  85   2.106 -10.458 -14.611
  682   HG23  ILE  85          3HG2      ILE  85   3.163 -11.506 -15.581
  683   HD11  ILE  85          3HD1      ILE  85   6.264 -10.547 -13.639
  684   HD12  ILE  85          1HD1      ILE  85   5.707 -12.040 -14.421
  685   HD13  ILE  85          2HD1      ILE  85   5.070 -10.457 -14.938
  686    H    VAL  86           H        VAL  86  -0.398 -11.391 -12.797
  687    HA   VAL  86           HA       VAL  86  -1.421 -14.021 -13.689
  688    HB   VAL  86           HB       VAL  86  -2.751 -12.449 -11.442
  689   HG11  VAL  86          1HG1      VAL  86  -4.376 -13.682 -12.838
  690   HG12  VAL  86          2HG1      VAL  86  -3.421 -15.170 -12.658
  691   HG13  VAL  86          3HG1      VAL  86  -4.228 -14.438 -11.255
  692   HG21  VAL  86          3HG2      VAL  86  -2.237 -14.380  -9.970
  693   HG22  VAL  86          1HG2      VAL  86  -1.240 -15.091 -11.255
  694   HG23  VAL  86          2HG2      VAL  86  -0.776 -13.549 -10.493
  695    HA   PRO  87           HA       PRO  87  -3.419 -11.191 -16.561
  696    HB2  PRO  87           1HB      PRO  87  -5.511 -13.370 -16.706
  697    HB3  PRO  87           2HB      PRO  87  -4.742 -12.461 -18.044
  698    HG2  PRO  87           1HG      PRO  87  -3.899 -14.959 -17.460
  699    HG3  PRO  87           2HG      PRO  87  -2.692 -13.669 -17.782
  700    HD2  PRO  87           1HD      PRO  87  -3.640 -14.733 -15.108
  701    HD3  PRO  87           2HD      PRO  87  -1.975 -14.390 -15.670
  702    HA   PRO  88           HA       PRO  88  -6.584  -8.950 -14.419
  703    HB2  PRO  88           1HB      PRO  88  -8.112  -8.830 -17.026
  704    HB3  PRO  88           2HB      PRO  88  -7.746  -7.508 -15.873
  705    HG2  PRO  88           1HG      PRO  88  -6.272  -7.783 -18.125
  706    HG3  PRO  88           2HG      PRO  88  -5.452  -7.450 -16.562
  707    HD2  PRO  88           1HD      PRO  88  -5.785 -10.108 -17.981
  708    HD3  PRO  88           2HD      PRO  88  -4.331  -9.406 -17.206
  709    HA   PRO  89           HA       PRO  89  -9.590 -12.078 -13.404
  710    HB2  PRO  89           1HB      PRO  89 -11.158 -10.795 -11.572
  711    HB3  PRO  89           2HB      PRO  89  -9.449 -11.225 -11.257
  712    HG2  PRO  89           1HG      PRO  89 -10.550  -8.556 -12.203
  713    HG3  PRO  89           2HG      PRO  89  -9.408  -8.866 -10.855
  714    HD2  PRO  89           1HD      PRO  89  -8.547  -8.135 -13.337
  715    HD3  PRO  89           2HD      PRO  89  -7.629  -9.307 -12.342
  716    H    SER  90           H        SER  90 -11.662 -12.797 -13.876
  717    HA   SER  90           HA       SER  90 -13.825 -11.135 -14.829
  718    HB2  SER  90           1HB      SER  90 -12.256 -11.139 -16.812
  719    HB3  SER  90           2HB      SER  90 -12.445 -12.898 -16.888
  720    HG   SER  90           HG       SER  90 -13.908 -11.754 -18.289
  721    H    GLY  91           H        GLY  91 -15.730 -12.460 -15.386
  722    HA2  GLY  91           1HA      GLY  91 -17.159 -14.296 -15.128
  723    HA3  GLY  91           2HA      GLY  91 -15.744 -15.313 -14.793
  724    HA   PRO  92           HA       PRO  92 -18.134 -15.187 -10.842
  725    HB2  PRO  92           1HB      PRO  92 -16.342 -17.592 -10.472
  726    HB3  PRO  92           2HB      PRO  92 -18.057 -17.381  -9.997
  727    HG2  PRO  92           1HG      PRO  92 -17.443 -18.775 -12.231
  728    HG3  PRO  92           2HG      PRO  92 -18.783 -17.579 -12.275
  729    HD2  PRO  92           1HD      PRO  92 -15.924 -17.234 -13.223
  730    HD3  PRO  92           2HD      PRO  92 -17.448 -16.777 -14.042
  731    H    SER  93           H        SER  93 -17.537 -14.660  -8.693
  732    HA   SER  93           HA       SER  93 -14.789 -14.422  -7.800
  733    HB2  SER  93           1HB      SER  93 -15.059 -12.507  -9.460
  734    HB3  SER  93           2HB      SER  93 -16.256 -11.822  -8.351
  735    HG   SER  93           HG       SER  93 -14.090 -11.008  -8.030
  736    H    SER  94           H        SER  94 -14.887 -12.793  -5.754
  737    HA   SER  94           HA       SER  94 -16.478 -14.166  -3.795
  738    HB2  SER  94           1HB      SER  94 -14.910 -11.572  -3.561
  739    HB3  SER  94           2HB      SER  94 -15.502 -12.561  -2.216
  740    HG   SER  94           HG       SER  94 -13.285 -12.995  -2.712
  741    H    GLY  95           H        GLY  95 -18.307 -13.638  -2.693
  742    HA2  GLY  95           1HA      GLY  95 -19.525 -11.084  -2.433
  743    HA3  GLY  95           2HA      GLY  95 -20.295 -11.918  -3.783
  Start of MODEL   20
    1    H1   GLY  -3           1H       GLY  -3  16.656 -14.293   6.619
    2    H2   GLY  -3           2H       GLY  -3  15.559 -14.942   7.645
    3    H3   GLY  -3           3H       GLY  -3  15.932 -15.718   6.249
    4    HA2  GLY  -3           1HA      GLY  -3  14.976 -13.952   4.930
    5    HA3  GLY  -3           2HA      GLY  -3  13.787 -14.654   6.042
    6    H    SER  -2           H        SER  -2  12.956 -12.353   5.291
    7    HA   SER  -2           HA       SER  -2  13.107 -10.541   7.556
    8    HB2  SER  -2           1HB      SER  -2  14.003  -8.614   6.386
    9    HB3  SER  -2           2HB      SER  -2  15.194  -9.913   6.353
   10    HG   SER  -2           HG       SER  -2  15.008  -8.943   4.296
   11    H    SER  -1           H        SER  -1  11.755  -8.486   7.053
   12    HA   SER  -1           HA       SER  -1   9.220  -9.268   5.885
   13    HB2  SER  -1           1HB      SER  -1  10.090  -6.556   6.937
   14    HB3  SER  -1           2HB      SER  -1   8.433  -7.151   6.727
   15    HG   SER  -1           HG       SER  -1   9.180  -7.304   8.923
   16    H    GLY   0           H        GLY   0  11.799  -8.558   4.134
   17    HA2  GLY   0           1HA      GLY   0  10.933  -6.395   2.386
   18    HA3  GLY   0           2HA      GLY   0  12.328  -7.473   2.166
   19    H    SER   1           H        SER   1   8.923  -8.448   2.501
   20    HA   SER   1           HA       SER   1   9.094 -10.319   0.355
   21    HB2  SER   1           1HB      SER   1   6.584  -9.246   1.687
   22    HB3  SER   1           2HB      SER   1   6.777 -10.794   0.845
   23    HG   SER   1           HG       SER   1   6.922 -11.061   3.121
   24    H    SER   2           H        SER   2   8.268  -6.954   0.206
   25    HA   SER   2           HA       SER   2   7.850  -7.076  -2.679
   26    HB2  SER   2           1HB      SER   2   5.556  -7.500  -1.881
   27    HB3  SER   2           2HB      SER   2   5.624  -6.037  -0.884
   28    HG   SER   2           HG       SER   2   4.593  -5.718  -2.947
   29    H    GLY   3           H        GLY   3   8.248  -5.109  -3.667
   30    HA2  GLY   3           1HA      GLY   3   9.585  -3.016  -2.027
   31    HA3  GLY   3           2HA      GLY   3   9.706  -3.254  -3.786
   32    H    ILE   4           H        ILE   4   6.448  -3.429  -3.029
   33    HA   ILE   4           HA       ILE   4   5.905  -1.143  -4.587
   34    HB   ILE   4           HB       ILE   4   4.455  -3.141  -4.353
   35   HG12  ILE   4          1HG1      ILE   4   2.285  -2.033  -4.418
   36   HG13  ILE   4          2HG1      ILE   4   2.966  -0.535  -3.798
   37   HG21  ILE   4          1HG2      ILE   4   4.544  -3.346  -1.856
   38   HG22  ILE   4          2HG2      ILE   4   3.511  -1.908  -1.733
   39   HG23  ILE   4          3HG2      ILE   4   2.899  -3.381  -2.504
   40   HD11  ILE   4          3HD1      ILE   4   2.588  -0.539  -6.261
   41   HD12  ILE   4          1HD1      ILE   4   4.293  -0.289  -5.870
   42   HD13  ILE   4          2HD1      ILE   4   3.727  -1.885  -6.428
   43    H    LYS   5           H        LYS   5   6.067  -1.297  -1.071
   44    HA   LYS   5           HA       LYS   5   4.903   1.292  -0.592
   45    HB2  LYS   5           1HB      LYS   5   5.614  -0.865   0.929
   46    HB3  LYS   5           2HB      LYS   5   6.967   0.183   1.304
   47    HG2  LYS   5           1HG      LYS   5   4.034   1.016   1.503
   48    HG3  LYS   5           2HG      LYS   5   4.887   0.220   2.815
   49    HD2  LYS   5           1HD      LYS   5   5.754   2.899   1.640
   50    HD3  LYS   5           2HD      LYS   5   4.688   2.696   3.030
   51    HE2  LYS   5           1HE      LYS   5   6.592   1.191   4.010
   52    HE3  LYS   5           2HE      LYS   5   7.624   1.982   2.810
   53    HZ1  LYS   5           3HZ      LYS   5   7.663   3.184   4.905
   54    HZ2  LYS   5           1HZ      LYS   5   6.902   4.131   3.806
   55    HZ3  LYS   5           2HZ      LYS   5   6.032   3.313   4.940
   56    H    ASN   6           H        ASN   6   8.211   0.245  -1.291
   57    HA   ASN   6           HA       ASN   6   9.340   2.947  -1.093
   58    HB2  ASN   6           1HB      ASN   6  10.656   0.916  -0.544
   59    HB3  ASN   6           2HB      ASN   6  10.496   0.363  -2.211
   60   HD21  ASN   6          2HD2      ASN   6  12.375   0.745  -3.363
   61   HD22  ASN   6          1HD2      ASN   6  13.397   2.154  -3.144
   62    H    PHE   7           H        PHE   7   7.939   0.907  -3.655
   63    HA   PHE   7           HA       PHE   7   8.876   2.387  -5.907
   64    HB2  PHE   7           1HB      PHE   7   7.860   0.138  -6.040
   65    HB3  PHE   7           2HB      PHE   7   6.316   0.804  -5.529
   66    HD1  PHE   7           2HD      PHE   7   8.773   0.704  -8.313
   67    HD2  PHE   7           1HD      PHE   7   4.872   2.019  -7.034
   68    HE1  PHE   7           2HE      PHE   7   8.168   1.215 -10.665
   69    HE2  PHE   7           1HE      PHE   7   4.276   2.542  -9.380
   70    HZ   PHE   7           HZ       PHE   7   5.916   2.127 -11.208
   71    H    LEU   8           H        LEU   8   5.851   2.781  -3.951
   72    HA   LEU   8           HA       LEU   8   4.906   5.046  -5.407
   73    HB2  LEU   8           1HB      LEU   8   3.553   3.690  -3.816
   74    HB3  LEU   8           2HB      LEU   8   4.502   4.329  -2.463
   75    HG   LEU   8           HG       LEU   8   3.641   6.566  -2.810
   76   HD11  LEU   8          1HD1      LEU   8   3.459   6.709  -5.262
   77   HD12  LEU   8          2HD1      LEU   8   2.158   5.498  -5.256
   78   HD13  LEU   8          3HD1      LEU   8   1.916   7.097  -4.516
   79   HD21  LEU   8          3HD2      LEU   8   1.254   6.195  -2.349
   80   HD22  LEU   8          1HD2      LEU   8   1.362   4.550  -3.013
   81   HD23  LEU   8          2HD2      LEU   8   2.234   4.972  -1.526
   82    H    TYR   9           H        TYR   9   7.044   4.866  -2.540
   83    HA   TYR   9           HA       TYR   9   7.365   7.662  -2.194
   84    HB2  TYR   9           1HB      TYR   9   7.927   5.879  -0.548
   85    HB3  TYR   9           2HB      TYR   9   9.305   5.412  -1.531
   86    HD1  TYR   9           1HD      TYR   9   7.921   7.979   0.735
   87    HD2  TYR   9           2HD      TYR   9  11.332   6.802  -1.625
   88    HE1  TYR   9           1HE      TYR   9   9.300   9.697   1.885
   89    HE2  TYR   9           2HE      TYR   9  12.719   8.522  -0.478
   90    HH   TYR   9           HH       TYR   9  11.380  10.673   2.067
   91    H    ALA  10           H        ALA  10   9.320   5.370  -4.129
   92    HA   ALA  10           HA       ALA  10  11.227   7.303  -5.080
   93    HB1  ALA  10           1HB      ALA  10  11.641   4.868  -5.013
   94    HB2  ALA  10           2HB      ALA  10  10.367   4.606  -6.227
   95    HB3  ALA  10           3HB      ALA  10  11.838   5.503  -6.658
   96    H    TRP  11           H        TRP  11   8.136   6.111  -6.487
   97    HA   TRP  11           HA       TRP  11   8.237   7.584  -8.929
   98    HB2  TRP  11           1HB      TRP  11   6.658   5.774  -8.495
   99    HB3  TRP  11           2HB      TRP  11   5.912   6.672  -7.193
  100    HD1  TRP  11           HD       TRP  11   5.995   6.490 -10.997
  101    HE1  TRP  11           1HE      TRP  11   4.011   7.811 -11.949
  102    HE3  TRP  11           3HE      TRP  11   4.332   8.680  -6.684
  103    HZ2  TRP  11           2HZ      TRP  11   2.167   9.829 -11.001
  104    HZ3  TRP  11           3HZ      TRP  11   2.430  10.265  -6.729
  105    HH2  TRP  11           HH       TRP  11   1.341  10.854  -8.884
  106    H    CYS  12           H        CYS  12   6.839   8.456  -5.750
  107    HA   CYS  12           HA       CYS  12   6.103  11.150  -6.355
  108    HB2  CYS  12           1HB      CYS  12   7.063   9.855  -3.764
  109    HB3  CYS  12           2HB      CYS  12   6.414  11.492  -3.870
  110    HG   CYS  12           HG       CYS  12   4.958   8.615  -4.522
  111    H    GLY  13           H        GLY  13   9.240   9.911  -5.108
  112    HA2  GLY  13           1HA      GLY  13  10.545  12.427  -4.926
  113    HA3  GLY  13           2HA      GLY  13  11.343  10.840  -5.026
  114    H    LYS  14           H        LYS  14  10.134  10.326  -7.750
  115    HA   LYS  14           HA       LYS  14  12.072  11.781  -9.418
  116    HB2  LYS  14           1HB      LYS  14   9.959   9.651  -9.936
  117    HB3  LYS  14           2HB      LYS  14  10.907  10.391 -11.233
  118    HG2  LYS  14           1HG      LYS  14  12.994   9.594 -10.300
  119    HG3  LYS  14           2HG      LYS  14  12.202   9.029  -8.834
  120    HD2  LYS  14           1HD      LYS  14  12.686   7.137 -10.245
  121    HD3  LYS  14           2HD      LYS  14  10.933   7.349 -10.139
  122    HE2  LYS  14           1HE      LYS  14  10.922   8.461 -12.358
  123    HE3  LYS  14           2HE      LYS  14  12.684   8.335 -12.445
  124    HZ1  LYS  14           3HZ      LYS  14  11.607   6.556 -13.684
  125    HZ2  LYS  14           1HZ      LYS  14  12.447   5.916 -12.440
  126    HZ3  LYS  14           2HZ      LYS  14  10.815   6.029 -12.356
  127    H    ARG  15           H        ARG  15   9.014  12.507  -8.269
  128    HA   ARG  15           HA       ARG  15   8.382  14.439 -10.461
  129    HB2  ARG  15           1HB      ARG  15   6.567  12.943  -8.535
  130    HB3  ARG  15           2HB      ARG  15   6.029  14.151  -9.714
  131    HG2  ARG  15           1HG      ARG  15   6.856  12.698 -11.565
  132    HG3  ARG  15           2HG      ARG  15   7.382  11.500 -10.403
  133    HD2  ARG  15           1HD      ARG  15   5.299  10.770 -11.266
  134    HD3  ARG  15           2HD      ARG  15   5.048  11.243  -9.591
  135    HE   ARG  15           HE       ARG  15   4.079  13.384 -10.421
  136   HH11  ARG  15          1HH1      ARG  15   4.054  10.691 -12.783
  137   HH12  ARG  15          2HH1      ARG  15   2.634  11.387 -13.557
  138   HH21  ARG  15          1HH2      ARG  15   2.286  14.118 -11.614
  139   HH22  ARG  15          2HH2      ARG  15   1.733  13.120 -12.957
  140    H    LYS  16           H        LYS  16   9.879  14.534  -7.619
  141    HA   LYS  16           HA       LYS  16  10.297  16.037  -5.996
  142    HB2  LYS  16           1HB      LYS  16   8.724  18.056  -7.640
  143    HB3  LYS  16           2HB      LYS  16   9.891  18.394  -6.364
  144    HG2  LYS  16           1HG      LYS  16  11.666  17.240  -7.731
  145    HG3  LYS  16           2HG      LYS  16  10.514  17.121  -9.063
  146    HD2  LYS  16           1HD      LYS  16  11.541  19.672  -7.752
  147    HD3  LYS  16           2HD      LYS  16  12.017  19.059  -9.329
  148    HE2  LYS  16           1HE      LYS  16   9.209  20.002  -8.568
  149    HE3  LYS  16           2HE      LYS  16  10.408  20.963  -9.431
  150    HZ1  LYS  16           3HZ      LYS  16   8.872  19.954 -10.977
  151    HZ2  LYS  16           1HZ      LYS  16  10.355  19.320 -11.226
  152    HZ3  LYS  16           2HZ      LYS  16   9.207  18.448 -10.446
  153    H    MET  17           H        MET  17   7.993  14.334  -5.699
  154    HA   MET  17           HA       MET  17   6.318  15.861  -3.727
  155    HB2  MET  17           1HB      MET  17   5.618  13.401  -5.386
  156    HB3  MET  17           2HB      MET  17   4.564  14.167  -4.196
  157    HG2  MET  17           1HG      MET  17   4.679  16.287  -5.550
  158    HG3  MET  17           2HG      MET  17   5.523  15.383  -6.805
  159    HE1  MET  17           3HE      MET  17   2.771  12.751  -7.889
  160    HE2  MET  17           1HE      MET  17   4.478  13.205  -7.972
  161    HE3  MET  17           2HE      MET  17   3.822  12.478  -6.492
  162    H    THR  18           H        THR  18   5.358  14.345  -2.083
  163    HA   THR  18           HA       THR  18   7.037  12.040  -1.256
  164    HB   THR  18           HB       THR  18   6.263  14.280   0.657
  165    HG1  THR  18           1HG      THR  18   8.471  14.756   0.631
  166   HG21  THR  18          3HG2      THR  18   7.828  13.115   2.197
  167   HG22  THR  18          1HG2      THR  18   6.480  12.067   1.752
  168   HG23  THR  18          2HG2      THR  18   8.069  11.833   0.990
  169    HA   PRO  19           HA       PRO  19   2.730  10.773  -0.553
  170    HB2  PRO  19           1HB      PRO  19   3.067   8.202   0.235
  171    HB3  PRO  19           2HB      PRO  19   3.419   8.716  -1.444
  172    HG2  PRO  19           1HG      PRO  19   5.381   8.380   0.846
  173    HG3  PRO  19           2HG      PRO  19   5.507   7.738  -0.821
  174    HD2  PRO  19           1HD      PRO  19   6.714  10.076  -0.011
  175    HD3  PRO  19           2HD      PRO  19   6.106   9.846  -1.673
  176    H    ALA  20           H        ALA  20   1.332  10.386   1.212
  177    HA   ALA  20           HA       ALA  20   2.516  10.618   3.956
  178    HB1  ALA  20           1HB      ALA  20   1.629  12.786   3.214
  179    HB2  ALA  20           2HB      ALA  20   0.064  12.031   2.827
  180    HB3  ALA  20           3HB      ALA  20   0.630  12.095   4.511
  181    H    TYR  21           H        TYR  21   2.111   8.889   5.072
  182    HA   TYR  21           HA       TYR  21  -0.217   7.133   4.488
  183    HB2  TYR  21           1HB      TYR  21   2.396   6.650   5.965
  184    HB3  TYR  21           2HB      TYR  21   1.092   5.487   5.876
  185    HD1  TYR  21           2HD      TYR  21   3.671   7.258   3.851
  186    HD2  TYR  21           1HD      TYR  21   0.744   4.095   3.961
  187    HE1  TYR  21           2HE      TYR  21   4.617   6.310   1.759
  188    HE2  TYR  21           1HE      TYR  21   1.695   3.137   1.873
  189    HH   TYR  21           HH       TYR  21   4.475   4.655   0.175
  190    H    GLU  22           H        GLU  22  -1.433   6.206   6.216
  191    HA   GLU  22           HA       GLU  22  -1.064   7.185   8.966
  192    HB2  GLU  22           1HB      GLU  22  -2.639   8.803   7.922
  193    HB3  GLU  22           2HB      GLU  22  -3.702   7.474   7.462
  194    HG2  GLU  22           1HG      GLU  22  -4.535   8.643   9.440
  195    HG3  GLU  22           2HG      GLU  22  -4.156   6.974   9.827
  196    H    ILE  23           H        ILE  23  -2.039   5.776  10.547
  197    HA   ILE  23           HA       ILE  23  -2.754   3.042   9.555
  198    HB   ILE  23           HB       ILE  23  -0.435   3.764  11.388
  199   HG12  ILE  23          1HG1      ILE  23  -0.563   2.351   8.686
  200   HG13  ILE  23          2HG1      ILE  23   0.074   3.968   8.992
  201   HG21  ILE  23          1HG2      ILE  23  -1.561   1.785  12.330
  202   HG22  ILE  23          2HG2      ILE  23  -1.506   0.980  10.741
  203   HG23  ILE  23          3HG2      ILE  23  -0.021   1.339  11.649
  204   HD11  ILE  23          3HD1      ILE  23   1.953   2.600   8.746
  205   HD12  ILE  23          1HD1      ILE  23   1.829   2.898  10.489
  206   HD13  ILE  23          2HD1      ILE  23   1.307   1.334   9.800
  207    H    ARG  24           H        ARG  24  -3.947   1.787  10.887
  208    HA   ARG  24           HA       ARG  24  -4.823   2.800  13.559
  209    HB2  ARG  24           1HB      ARG  24  -6.526   3.361  11.790
  210    HB3  ARG  24           2HB      ARG  24  -6.619   1.639  11.397
  211    HG2  ARG  24           1HG      ARG  24  -7.415   1.160  13.707
  212    HG3  ARG  24           2HG      ARG  24  -7.353   2.894  14.076
  213    HD2  ARG  24           1HD      ARG  24  -9.046   3.328  12.339
  214    HD3  ARG  24           2HD      ARG  24  -9.027   1.612  11.872
  215    HE   ARG  24           HE       ARG  24  -9.594   1.836  14.663
  216   HH11  ARG  24          1HH1      ARG  24 -11.212   2.375  11.562
  217   HH12  ARG  24          2HH1      ARG  24 -12.789   2.084  12.231
  218   HH21  ARG  24          1HH2      ARG  24 -11.656   1.482  15.463
  219   HH22  ARG  24          2HH2      ARG  24 -13.034   1.588  14.411
  220    H    ALA  25           H        ALA  25  -5.026   1.205  15.073
  221    HA   ALA  25           HA       ALA  25  -4.314  -1.603  14.359
  222    HB1  ALA  25           1HB      ALA  25  -3.041  -0.516  16.178
  223    HB2  ALA  25           2HB      ALA  25  -4.551  -0.228  17.071
  224    HB3  ALA  25           3HB      ALA  25  -3.993  -1.888  16.778
  225    H    VAL  26           H        VAL  26  -5.749  -3.269  14.546
  226    HA   VAL  26           HA       VAL  26  -8.496  -2.852  15.606
  227    HB   VAL  26           HB       VAL  26  -9.533  -3.668  13.541
  228   HG11  VAL  26          1HG1      VAL  26  -9.350  -1.216  13.933
  229   HG12  VAL  26          2HG1      VAL  26  -7.892  -1.190  12.909
  230   HG13  VAL  26          3HG1      VAL  26  -9.456  -1.665  12.226
  231   HG21  VAL  26          3HG2      VAL  26  -8.340  -3.776  11.410
  232   HG22  VAL  26          1HG2      VAL  26  -6.803  -3.380  12.208
  233   HG23  VAL  26          2HG2      VAL  26  -7.633  -4.914  12.556
  234    H    GLY  27           H        GLY  27  -9.794  -5.015  15.212
  235    HA2  GLY  27           1HA      GLY  27  -9.918  -7.352  15.153
  236    HA3  GLY  27           2HA      GLY  27  -8.150  -7.463  15.152
  237    H    ASN  28           H        ASN  28  -8.751  -9.272  16.585
  238    HA   ASN  28           HA       ASN  28  -9.896  -8.804  19.190
  239    HB2  ASN  28           1HB      ASN  28  -8.385 -11.192  18.042
  240    HB3  ASN  28           2HB      ASN  28  -9.275 -11.191  19.565
  241   HD21  ASN  28          2HD2      ASN  28 -11.626 -11.130  19.523
  242   HD22  ASN  28          1HD2      ASN  28 -12.483 -11.469  18.032
  243    H    LYS  29           H        LYS  29  -8.941  -8.847  21.245
  244    HA   LYS  29           HA       LYS  29  -6.368  -7.649  21.507
  245    HB2  LYS  29           1HB      LYS  29  -6.748  -7.787  23.887
  246    HB3  LYS  29           2HB      LYS  29  -8.219  -7.290  23.058
  247    HG2  LYS  29           1HG      LYS  29  -9.103  -9.634  23.266
  248    HG3  LYS  29           2HG      LYS  29  -7.629 -10.084  24.144
  249    HD2  LYS  29           1HD      LYS  29  -8.170  -8.405  25.905
  250    HD3  LYS  29           2HD      LYS  29  -9.601  -7.918  24.992
  251    HE2  LYS  29           1HE      LYS  29 -10.370  -9.348  26.727
  252    HE3  LYS  29           2HE      LYS  29 -10.515 -10.244  25.214
  253    HZ1  LYS  29           3HZ      LYS  29  -9.563 -11.595  26.996
  254    HZ2  LYS  29           1HZ      LYS  29  -8.463 -11.425  25.804
  255    HZ3  LYS  29           2HZ      LYS  29  -8.314 -10.562  27.189
  256    H    ASN  30           H        ASN  30  -7.157 -11.030  21.345
  257    HA   ASN  30           HA       ASN  30  -4.560 -11.913  22.411
  258    HB2  ASN  30           1HB      ASN  30  -6.704 -13.139  22.798
  259    HB3  ASN  30           2HB      ASN  30  -6.802 -13.472  21.069
  260   HD21  ASN  30          2HD2      ASN  30  -6.238 -15.614  20.711
  261   HD22  ASN  30          1HD2      ASN  30  -4.925 -16.436  21.532
  262    H    ARG  31           H        ARG  31  -5.796 -10.990  19.304
  263    HA   ARG  31           HA       ARG  31  -3.227 -11.385  18.034
  264    HB2  ARG  31           1HB      ARG  31  -4.171 -13.648  17.755
  265    HB3  ARG  31           2HB      ARG  31  -5.607 -12.985  16.998
  266    HG2  ARG  31           1HG      ARG  31  -3.996 -13.953  15.379
  267    HG3  ARG  31           2HG      ARG  31  -4.349 -12.262  15.056
  268    HD2  ARG  31           1HD      ARG  31  -1.971 -12.788  14.727
  269    HD3  ARG  31           2HD      ARG  31  -2.206 -11.567  15.981
  270    HE   ARG  31           HE       ARG  31  -2.077 -14.263  17.064
  271   HH11  ARG  31          1HH1      ARG  31   0.033 -11.661  15.920
  272   HH12  ARG  31          2HH1      ARG  31   1.355 -12.175  16.924
  273   HH21  ARG  31          1HH2      ARG  31  -0.338 -14.861  18.338
  274   HH22  ARG  31          2HH2      ARG  31   1.151 -13.970  18.260
  275    H    GLN  32           H        GLN  32  -3.241  -9.181  17.773
  276    HA   GLN  32           HA       GLN  32  -5.465  -7.783  16.561
  277    HB2  GLN  32           1HB      GLN  32  -4.272  -5.846  17.118
  278    HB3  GLN  32           2HB      GLN  32  -4.074  -6.947  18.464
  279    HG2  GLN  32           1HG      GLN  32  -1.774  -7.523  17.569
  280    HG3  GLN  32           2HG      GLN  32  -2.000  -6.313  16.303
  281   HE21  GLN  32          2HE2      GLN  32  -1.987  -4.025  16.899
  282   HE22  GLN  32          1HE2      GLN  32  -1.421  -3.538  18.490
  283    H    LYS  33           H        LYS  33  -5.084  -6.187  14.890
  284    HA   LYS  33           HA       LYS  33  -3.279  -6.907  12.643
  285    HB2  LYS  33           1HB      LYS  33  -6.327  -6.821  12.641
  286    HB3  LYS  33           2HB      LYS  33  -5.397  -6.527  11.174
  287    HG2  LYS  33           1HG      LYS  33  -4.314  -8.756  11.416
  288    HG3  LYS  33           2HG      LYS  33  -5.306  -9.071  12.854
  289    HD2  LYS  33           1HD      LYS  33  -7.362  -8.830  11.487
  290    HD3  LYS  33           2HD      LYS  33  -6.366  -8.525  10.046
  291    HE2  LYS  33           1HE      LYS  33  -5.304 -10.758  10.306
  292    HE3  LYS  33           2HE      LYS  33  -6.282 -11.062  11.749
  293    HZ1  LYS  33           3HZ      LYS  33  -7.264 -12.082   9.784
  294    HZ2  LYS  33           1HZ      LYS  33  -8.269 -10.928  10.351
  295    HZ3  LYS  33           2HZ      LYS  33  -7.367 -10.646   9.015
  296    H    PHE  34           H        PHE  34  -3.404  -5.204  10.923
  297    HA   PHE  34           HA       PHE  34  -3.892  -2.478  12.032
  298    HB2  PHE  34           1HB      PHE  34  -1.440  -3.404  10.491
  299    HB3  PHE  34           2HB      PHE  34  -1.778  -1.755  11.001
  300    HD1  PHE  34           2HD      PHE  34  -1.891  -1.202  13.487
  301    HD2  PHE  34           1HD      PHE  34  -0.471  -4.994  12.012
  302    HE1  PHE  34           2HE      PHE  34  -0.798  -1.648  15.675
  303    HE2  PHE  34           1HE      PHE  34   0.648  -5.426  14.186
  304    HZ   PHE  34           HZ       PHE  34   0.496  -3.748  16.017
  305    H    MET  35           H        MET  35  -4.730  -1.045  10.699
  306    HA   MET  35           HA       MET  35  -5.143  -1.682   7.800
  307    HB2  MET  35           1HB      MET  35  -6.767   0.260   9.486
  308    HB3  MET  35           2HB      MET  35  -7.054  -0.232   7.816
  309    HG2  MET  35           1HG      MET  35  -7.358  -2.624   8.728
  310    HG3  MET  35           2HG      MET  35  -7.327  -1.896  10.332
  311    HE1  MET  35           3HE      MET  35 -10.672  -1.484   7.182
  312    HE2  MET  35           1HE      MET  35  -9.037  -0.878   6.859
  313    HE3  MET  35           2HE      MET  35  -9.307  -2.617   7.124
  314    H    CYS  36           H        CYS  36  -4.814   0.077   6.340
  315    HA   CYS  36           HA       CYS  36  -3.363   2.438   7.353
  316    HB2  CYS  36           1HB      CYS  36  -1.690   0.622   7.028
  317    HB3  CYS  36           2HB      CYS  36  -2.196   0.482   5.330
  318    HG   CYS  36           HG       CYS  36  -1.233   3.305   6.807
  319    H    GLU  37           H        GLU  37  -3.281   4.153   6.009
  320    HA   GLU  37           HA       GLU  37  -4.839   4.138   3.469
  321    HB2  GLU  37           1HB      GLU  37  -4.953   6.233   5.682
  322    HB3  GLU  37           2HB      GLU  37  -5.717   6.365   4.095
  323    HG2  GLU  37           1HG      GLU  37  -7.163   4.419   4.622
  324    HG3  GLU  37           2HG      GLU  37  -6.397   4.266   6.203
  325    H    VAL  38           H        VAL  38  -3.931   5.503   1.872
  326    HA   VAL  38           HA       VAL  38  -1.675   7.266   2.635
  327    HB   VAL  38           HB       VAL  38  -0.698   5.065   2.019
  328   HG11  VAL  38          1HG1      VAL  38  -2.323   4.415   0.241
  329   HG12  VAL  38          2HG1      VAL  38  -1.629   5.672  -0.807
  330   HG13  VAL  38          3HG1      VAL  38  -0.631   4.311  -0.273
  331   HG21  VAL  38          3HG2      VAL  38   1.044   5.946   0.523
  332   HG22  VAL  38          1HG2      VAL  38   0.037   7.323   0.093
  333   HG23  VAL  38          2HG2      VAL  38   0.631   7.142   1.760
  334    H    ARG  39           H        ARG  39  -1.317   9.003   1.422
  335    HA   ARG  39           HA       ARG  39  -2.925   9.557  -1.024
  336    HB2  ARG  39           1HB      ARG  39  -2.727  11.329   1.454
  337    HB3  ARG  39           2HB      ARG  39  -3.408  11.840  -0.095
  338    HG2  ARG  39           1HG      ARG  39  -5.127  10.050   0.073
  339    HG3  ARG  39           2HG      ARG  39  -4.522   9.624   1.679
  340    HD2  ARG  39           1HD      ARG  39  -5.663  12.334   0.877
  341    HD3  ARG  39           2HD      ARG  39  -6.524  11.075   1.753
  342    HE   ARG  39           HE       ARG  39  -5.092  11.346   3.651
  343   HH11  ARG  39          1HH1      ARG  39  -4.643  13.954   1.289
  344   HH12  ARG  39          2HH1      ARG  39  -3.874  14.985   2.456
  345   HH21  ARG  39          1HH2      ARG  39  -4.110  12.736   5.090
  346   HH22  ARG  39          2HH2      ARG  39  -3.588  14.308   4.572
  347    H    VAL  40           H        VAL  40  -2.123  11.512  -2.137
  348    HA   VAL  40           HA       VAL  40   0.673  12.352  -1.589
  349    HB   VAL  40           HB       VAL  40  -0.281  11.458  -4.346
  350   HG11  VAL  40          1HG1      VAL  40   1.293  13.332  -4.526
  351   HG12  VAL  40          2HG1      VAL  40   2.424  12.529  -3.412
  352   HG13  VAL  40          3HG1      VAL  40   2.095  11.844  -5.015
  353   HG21  VAL  40          3HG2      VAL  40   1.450   9.691  -4.196
  354   HG22  VAL  40          1HG2      VAL  40   1.816  10.181  -2.532
  355   HG23  VAL  40          2HG2      VAL  40   0.237   9.479  -2.933
  356    H    GLU  41           H        GLU  41   0.972  14.511  -1.982
  357    HA   GLU  41           HA       GLU  41  -1.254  16.235  -2.067
  358    HB2  GLU  41           1HB      GLU  41   0.969  16.753  -1.100
  359    HB3  GLU  41           2HB      GLU  41   1.649  16.877  -2.728
  360    HG2  GLU  41           1HG      GLU  41   0.136  18.770  -3.228
  361    HG3  GLU  41           2HG      GLU  41  -0.636  18.591  -1.650
  362    H    GLY  42           H        GLY  42  -2.438  17.130  -3.644
  363    HA2  GLY  42           1HA      GLY  42  -2.929  18.045  -5.761
  364    HA3  GLY  42           2HA      GLY  42  -1.507  17.244  -6.467
  365    H    PHE  43           H        PHE  43  -3.062  14.894  -4.681
  366    HA   PHE  43           HA       PHE  43  -4.904  14.080  -6.898
  367    HB2  PHE  43           1HB      PHE  43  -3.117  12.322  -5.178
  368    HB3  PHE  43           2HB      PHE  43  -4.285  11.748  -6.356
  369    HD1  PHE  43           1HD      PHE  43  -0.993  13.358  -5.892
  370    HD2  PHE  43           2HD      PHE  43  -3.874  11.989  -8.794
  371    HE1  PHE  43           1HE      PHE  43   0.702  13.565  -7.677
  372    HE2  PHE  43           2HE      PHE  43  -2.159  12.174 -10.578
  373    HZ   PHE  43           HZ       PHE  43   0.134  12.960 -10.026
  374    H    ASN  44           H        ASN  44  -6.942  13.703  -6.326
  375    HA   ASN  44           HA       ASN  44  -7.756  14.132  -3.551
  376    HB2  ASN  44           1HB      ASN  44  -9.354  13.633  -6.089
  377    HB3  ASN  44           2HB      ASN  44 -10.048  14.082  -4.533
  378   HD21  ASN  44          2HD2      ASN  44  -9.611  15.463  -7.378
  379   HD22  ASN  44          1HD2      ASN  44  -9.134  17.079  -6.888
  380    H    TYR  45           H        TYR  45  -7.015  11.302  -5.322
  381    HA   TYR  45           HA       TYR  45  -8.882   9.485  -4.038
  382    HB2  TYR  45           1HB      TYR  45  -7.812   9.161  -6.279
  383    HB3  TYR  45           2HB      TYR  45  -6.266   8.909  -5.472
  384    HD1  TYR  45           2HD      TYR  45  -9.782   7.637  -5.692
  385    HD2  TYR  45           1HD      TYR  45  -5.688   6.700  -4.713
  386    HE1  TYR  45           2HE      TYR  45 -10.399   5.247  -5.420
  387    HE2  TYR  45           1HE      TYR  45  -6.306   4.304  -4.426
  388    HH   TYR  45           HH       TYR  45  -9.666   3.130  -4.903
  389    H    ALA  46           H        ALA  46  -8.303   7.767  -2.582
  390    HA   ALA  46           HA       ALA  46  -5.786   8.034  -1.041
  391    HB1  ALA  46           1HB      ALA  46  -7.527   9.213   0.278
  392    HB2  ALA  46           2HB      ALA  46  -8.548   7.760   0.231
  393    HB3  ALA  46           3HB      ALA  46  -6.989   7.723   1.082
  394    H    GLY  47           H        GLY  47  -4.764   6.177  -1.141
  395    HA2  GLY  47           1HA      GLY  47  -6.103   3.663  -1.947
  396    HA3  GLY  47           2HA      GLY  47  -4.356   3.915  -1.749
  397    H    MET  48           H        MET  48  -6.276   1.872  -0.659
  398    HA   MET  48           HA       MET  48  -5.672   2.164   2.261
  399    HB2  MET  48           1HB      MET  48  -8.330   1.341   1.028
  400    HB3  MET  48           2HB      MET  48  -7.943   1.390   2.753
  401    HG2  MET  48           1HG      MET  48  -7.462   3.861   2.492
  402    HG3  MET  48           2HG      MET  48  -8.100   3.765   0.857
  403    HE1  MET  48           3HE      MET  48 -11.872   3.111   1.306
  404    HE2  MET  48           1HE      MET  48 -10.540   3.480   0.191
  405    HE3  MET  48           2HE      MET  48 -10.623   1.892   0.989
  406    H    GLY  49           H        GLY  49  -5.265   0.359   3.400
  407    HA2  GLY  49           1HA      GLY  49  -5.552  -2.352   2.231
  408    HA3  GLY  49           2HA      GLY  49  -3.916  -1.783   2.533
  409    H    ASN  50           H        ASN  50  -4.640  -4.015   3.773
  410    HA   ASN  50           HA       ASN  50  -4.222  -3.268   6.532
  411    HB2  ASN  50           1HB      ASN  50  -6.070  -4.475   7.524
  412    HB3  ASN  50           2HB      ASN  50  -6.713  -3.266   6.424
  413   HD21  ASN  50          2HD2      ASN  50  -7.887  -3.980   4.547
  414   HD22  ASN  50          1HD2      ASN  50  -8.293  -5.671   4.319
  415    H    SER  51           H        SER  51  -3.597  -5.103   7.909
  416    HA   SER  51           HA       SER  51  -3.162  -7.749   6.890
  417    HB2  SER  51           1HB      SER  51  -1.405  -6.393   5.582
  418    HB3  SER  51           2HB      SER  51  -0.592  -6.152   7.130
  419    HG   SER  51           HG       SER  51  -0.228  -8.122   5.576
  420    H    THR  52           H        THR  52  -1.229  -8.773   8.386
  421    HA   THR  52           HA       THR  52  -1.999  -8.362  11.212
  422    HB   THR  52           HB       THR  52  -0.423 -10.287  11.584
  423    HG1  THR  52           1HG      THR  52   0.288 -11.362   9.711
  424   HG21  THR  52          3HG2      THR  52  -1.878 -11.991  10.569
  425   HG22  THR  52          1HG2      THR  52  -2.836 -10.686  11.282
  426   HG23  THR  52          2HG2      THR  52  -2.621 -10.766   9.518
  427    H    ASN  53           H        ASN  53   0.283  -6.974   9.152
  428    HA   ASN  53           HA       ASN  53   1.757  -5.858  11.462
  429    HB2  ASN  53           1HB      ASN  53   3.080  -7.784  10.614
  430    HB3  ASN  53           2HB      ASN  53   3.094  -7.039   9.009
  431   HD21  ASN  53          2HD2      ASN  53   5.381  -6.804   8.899
  432   HD22  ASN  53          1HD2      ASN  53   6.234  -5.688   9.951
  433    H    LYS  54           H        LYS  54   2.743  -3.884  11.081
  434    HA   LYS  54           HA       LYS  54   1.116  -2.044   9.590
  435    HB2  LYS  54           1HB      LYS  54   3.792  -1.709  11.016
  436    HB3  LYS  54           2HB      LYS  54   2.848  -0.373  10.352
  437    HG2  LYS  54           1HG      LYS  54   0.933  -0.989  11.825
  438    HG3  LYS  54           2HG      LYS  54   1.921  -2.276  12.547
  439    HD2  LYS  54           1HD      LYS  54   3.591  -0.584  13.270
  440    HD3  LYS  54           2HD      LYS  54   2.589   0.704  12.565
  441    HE2  LYS  54           1HE      LYS  54   0.724   0.084  14.086
  442    HE3  LYS  54           2HE      LYS  54   1.713  -1.209  14.778
  443    HZ1  LYS  54           3HZ      LYS  54   1.785   0.788  16.152
  444    HZ2  LYS  54           1HZ      LYS  54   3.275   0.486  15.557
  445    HZ3  LYS  54           2HZ      LYS  54   2.365   1.686  14.918
  446    H    LYS  55           H        LYS  55   4.275  -3.479   8.760
  447    HA   LYS  55           HA       LYS  55   4.803  -1.680   6.554
  448    HB2  LYS  55           1HB      LYS  55   6.484  -3.037   7.787
  449    HB3  LYS  55           2HB      LYS  55   5.853  -4.505   7.034
  450    HG2  LYS  55           1HG      LYS  55   6.356  -3.552   4.776
  451    HG3  LYS  55           2HG      LYS  55   7.026  -2.102   5.542
  452    HD2  LYS  55           1HD      LYS  55   8.779  -3.451   6.611
  453    HD3  LYS  55           2HD      LYS  55   8.092  -4.937   5.940
  454    HE2  LYS  55           1HE      LYS  55   9.113  -2.600   4.255
  455    HE3  LYS  55           2HE      LYS  55  10.096  -4.000   4.691
  456    HZ1  LYS  55           3HZ      LYS  55   9.096  -4.270   2.500
  457    HZ2  LYS  55           1HZ      LYS  55   8.540  -5.425   3.526
  458    HZ3  LYS  55           2HZ      LYS  55   7.586  -4.151   3.112
  459    H    ASP  56           H        ASP  56   3.382  -4.971   6.663
  460    HA   ASP  56           HA       ASP  56   2.925  -5.056   3.806
  461    HB2  ASP  56           1HB      ASP  56   3.245  -7.023   5.324
  462    HB3  ASP  56           2HB      ASP  56   1.645  -6.723   5.991
  463    H    ALA  57           H        ALA  57   1.090  -3.851   6.559
  464    HA   ALA  57           HA       ALA  57  -1.410  -3.433   5.123
  465    HB1  ALA  57           1HB      ALA  57  -1.256  -3.477   7.606
  466    HB2  ALA  57           2HB      ALA  57  -0.305  -1.975   7.572
  467    HB3  ALA  57           3HB      ALA  57  -1.989  -1.977   7.012
  468    H    GLN  58           H        GLN  58   1.392  -1.255   5.783
  469    HA   GLN  58           HA       GLN  58   0.532   0.922   4.111
  470    HB2  GLN  58           1HB      GLN  58   3.287  -0.089   4.925
  471    HB3  GLN  58           2HB      GLN  58   3.034   1.340   3.928
  472    HG2  GLN  58           1HG      GLN  58   1.956   2.542   5.675
  473    HG3  GLN  58           2HG      GLN  58   1.829   1.105   6.694
  474   HE21  GLN  58          2HE2      GLN  58   3.614   0.530   7.975
  475   HE22  GLN  58          1HE2      GLN  58   5.121   1.448   7.985
  476    H    SER  59           H        SER  59   2.435  -2.034   3.307
  477    HA   SER  59           HA       SER  59   2.941  -1.314   0.587
  478    HB2  SER  59           1HB      SER  59   2.625  -4.080   1.816
  479    HB3  SER  59           2HB      SER  59   3.325  -3.729   0.236
  480    HG   SER  59           HG       SER  59   4.329  -2.899   2.780
  481    H    ASN  60           H        ASN  60   0.137  -2.972   2.061
  482    HA   ASN  60           HA       ASN  60  -1.198  -3.436  -0.475
  483    HB2  ASN  60           1HB      ASN  60  -2.149  -3.471   2.414
  484    HB3  ASN  60           2HB      ASN  60  -3.195  -3.855   1.047
  485   HD21  ASN  60          2HD2      ASN  60  -2.553  -5.738   3.193
  486   HD22  ASN  60          1HD2      ASN  60  -1.612  -7.015   2.459
  487    H    ALA  61           H        ALA  61  -1.350  -0.769   1.932
  488    HA   ALA  61           HA       ALA  61  -3.388   0.740   0.557
  489    HB1  ALA  61           1HB      ALA  61  -2.689   1.089   2.937
  490    HB2  ALA  61           2HB      ALA  61  -1.126   1.716   2.363
  491    HB3  ALA  61           3HB      ALA  61  -2.625   2.582   1.982
  492    H    ALA  62           H        ALA  62   0.187   0.809   0.330
  493    HA   ALA  62           HA       ALA  62   0.403   2.845  -1.642
  494    HB1  ALA  62           1HB      ALA  62   2.256   1.998  -0.233
  495    HB2  ALA  62           2HB      ALA  62   2.210   0.447  -1.091
  496    HB3  ALA  62           3HB      ALA  62   2.666   1.929  -1.959
  497    H    ARG  63           H        ARG  63   0.226  -0.757  -2.082
  498    HA   ARG  63           HA       ARG  63   0.259  -0.691  -4.891
  499    HB2  ARG  63           1HB      ARG  63   0.456  -2.769  -3.449
  500    HB3  ARG  63           2HB      ARG  63  -1.262  -2.653  -3.115
  501    HG2  ARG  63           1HG      ARG  63  -0.904  -4.293  -4.850
  502    HG3  ARG  63           2HG      ARG  63  -1.771  -2.923  -5.518
  503    HD2  ARG  63           1HD      ARG  63   0.750  -2.172  -6.210
  504    HD3  ARG  63           2HD      ARG  63   1.013  -3.908  -6.085
  505    HE   ARG  63           HE       ARG  63  -1.175  -2.670  -7.738
  506   HH11  ARG  63          1HH1      ARG  63   1.710  -4.757  -7.794
  507   HH12  ARG  63          2HH1      ARG  63   1.299  -5.364  -9.369
  508   HH21  ARG  63          1HH2      ARG  63  -1.549  -3.391  -9.712
  509   HH22  ARG  63          2HH2      ARG  63  -0.513  -4.572 -10.476
  510    H    ASP  64           H        ASP  64  -2.549  -0.354  -2.690
  511    HA   ASP  64           HA       ASP  64  -4.517  -0.232  -4.757
  512    HB2  ASP  64           1HB      ASP  64  -4.860  -0.751  -2.332
  513    HB3  ASP  64           2HB      ASP  64  -4.610   0.956  -1.966
  514    H    PHE  65           H        PHE  65  -2.480   2.344  -3.334
  515    HA   PHE  65           HA       PHE  65  -3.812   4.469  -4.833
  516    HB2  PHE  65           1HB      PHE  65  -2.570   4.770  -2.667
  517    HB3  PHE  65           2HB      PHE  65  -1.066   4.516  -3.535
  518    HD1  PHE  65           1HD      PHE  65  -3.906   6.801  -2.949
  519    HD2  PHE  65           2HD      PHE  65  -0.264   6.231  -5.173
  520    HE1  PHE  65           1HE      PHE  65  -3.942   9.187  -3.614
  521    HE2  PHE  65           2HE      PHE  65  -0.291   8.635  -5.808
  522    HZ   PHE  65           HZ       PHE  65  -2.140  10.101  -5.063
  523    H    VAL  66           H        VAL  66  -0.821   2.532  -5.333
  524    HA   VAL  66           HA       VAL  66  -0.060   3.835  -7.781
  525    HB   VAL  66           HB       VAL  66   0.514   1.009  -6.816
  526   HG11  VAL  66          1HG1      VAL  66   0.829   0.970  -9.232
  527   HG12  VAL  66          2HG1      VAL  66   1.663   2.541  -9.194
  528   HG13  VAL  66          3HG1      VAL  66   2.421   1.108  -8.477
  529   HG21  VAL  66          3HG2      VAL  66   2.681   1.918  -6.195
  530   HG22  VAL  66          1HG2      VAL  66   2.278   3.495  -6.917
  531   HG23  VAL  66          2HG2      VAL  66   1.430   2.934  -5.470
  532    H    ASN  67           H        ASN  67  -2.195   1.059  -7.163
  533    HA   ASN  67           HA       ASN  67  -2.955   0.485  -9.848
  534    HB2  ASN  67           1HB      ASN  67  -4.530   0.316  -7.253
  535    HB3  ASN  67           2HB      ASN  67  -5.178  -0.217  -8.797
  536   HD21  ASN  67          2HD2      ASN  67  -5.017  -2.008  -6.714
  537   HD22  ASN  67          1HD2      ASN  67  -3.814  -3.216  -7.114
  538    H    TYR  68           H        TYR  68  -4.324   3.041  -7.650
  539    HA   TYR  68           HA       TYR  68  -6.114   4.127  -9.633
  540    HB2  TYR  68           1HB      TYR  68  -6.530   4.712  -7.418
  541    HB3  TYR  68           2HB      TYR  68  -4.881   5.215  -7.107
  542    HD1  TYR  68           1HD      TYR  68  -7.984   6.138  -8.973
  543    HD2  TYR  68           2HD      TYR  68  -4.152   7.457  -7.492
  544    HE1  TYR  68           1HE      TYR  68  -8.558   8.486  -9.571
  545    HE2  TYR  68           2HE      TYR  68  -4.712   9.792  -8.103
  546    HH   TYR  68           HH       TYR  68  -6.303  11.216  -8.994
  547    H    LEU  69           H        LEU  69  -2.681   4.974  -8.864
  548    HA   LEU  69           HA       LEU  69  -2.444   7.023 -10.836
  549    HB2  LEU  69           1HB      LEU  69  -0.319   5.139  -9.766
  550    HB3  LEU  69           2HB      LEU  69  -0.030   6.580 -10.734
  551    HG   LEU  69           HG       LEU  69  -1.302   6.646  -7.976
  552   HD11  LEU  69          1HD1      LEU  69   1.008   5.852  -7.860
  553   HD12  LEU  69          2HD1      LEU  69   1.547   7.168  -8.917
  554   HD13  LEU  69          3HD1      LEU  69   0.942   7.523  -7.290
  555   HD21  LEU  69          3HD2      LEU  69  -0.759   9.092  -8.142
  556   HD22  LEU  69          1HD2      LEU  69  -0.333   8.850  -9.848
  557   HD23  LEU  69          2HD2      LEU  69  -1.996   8.573  -9.287
  558    H    VAL  70           H        VAL  70  -2.052   3.507 -11.237
  559    HA   VAL  70           HA       VAL  70  -1.376   3.629 -14.043
  560    HB   VAL  70           HB       VAL  70  -2.672   1.420 -12.409
  561   HG11  VAL  70          1HG1      VAL  70  -3.298   1.039 -14.760
  562   HG12  VAL  70          2HG1      VAL  70  -1.609   1.271 -15.266
  563   HG13  VAL  70          3HG1      VAL  70  -2.075  -0.123 -14.257
  564   HG21  VAL  70          3HG2      VAL  70  -0.474   0.374 -12.482
  565   HG22  VAL  70          1HG2      VAL  70   0.162   1.690 -13.493
  566   HG23  VAL  70          2HG2      VAL  70  -0.317   2.003 -11.819
  567    H    ARG  71           H        ARG  71  -4.513   3.325 -12.350
  568    HA   ARG  71           HA       ARG  71  -6.176   3.160 -14.658
  569    HB2  ARG  71           1HB      ARG  71  -6.684   4.107 -11.826
  570    HB3  ARG  71           2HB      ARG  71  -7.955   4.089 -13.037
  571    HG2  ARG  71           1HG      ARG  71  -7.975   1.759 -13.233
  572    HG3  ARG  71           2HG      ARG  71  -6.357   1.565 -12.563
  573    HD2  ARG  71           1HD      ARG  71  -8.147   0.815 -11.007
  574    HD3  ARG  71           2HD      ARG  71  -7.087   2.060 -10.345
  575    HE   ARG  71           HE       ARG  71  -9.651   2.917 -11.573
  576   HH11  ARG  71          1HH1      ARG  71  -7.955   2.307  -8.521
  577   HH12  ARG  71          2HH1      ARG  71  -9.018   3.342  -7.622
  578   HH21  ARG  71          1HH2      ARG  71 -10.991   4.219 -10.344
  579   HH22  ARG  71          2HH2      ARG  71 -10.730   4.382  -8.635
  580    H    ILE  72           H        ILE  72  -4.740   6.019 -13.155
  581    HA   ILE  72           HA       ILE  72  -6.061   7.760 -15.203
  582    HB   ILE  72           HB       ILE  72  -5.342   9.658 -13.952
  583   HG12  ILE  72          1HG1      ILE  72  -4.166   7.882 -11.800
  584   HG13  ILE  72          2HG1      ILE  72  -3.165   8.564 -13.075
  585   HG21  ILE  72          1HG2      ILE  72  -7.455   8.471 -13.349
  586   HG22  ILE  72          2HG2      ILE  72  -6.587   7.615 -12.059
  587   HG23  ILE  72          3HG2      ILE  72  -6.765   9.380 -12.001
  588   HD11  ILE  72          3HD1      ILE  72  -3.036   9.941 -11.090
  589   HD12  ILE  72          1HD1      ILE  72  -3.847  10.849 -12.381
  590   HD13  ILE  72          2HD1      ILE  72  -4.794  10.144 -11.049
  591    H    ASN  73           H        ASN  73  -3.490   5.861 -15.385
  592    HA   ASN  73           HA       ASN  73  -1.800   5.669 -16.800
  593    HB2  ASN  73           1HB      ASN  73  -2.758   8.198 -18.183
  594    HB3  ASN  73           2HB      ASN  73  -1.752   6.927 -18.854
  595   HD21  ASN  73          2HD2      ASN  73  -4.951   8.012 -18.621
  596   HD22  ASN  73          1HD2      ASN  73  -5.734   6.519 -19.113
  597    H    GLU  74           H        GLU  74  -1.470   7.495 -14.362
  598    HA   GLU  74           HA       GLU  74   0.914   9.095 -15.111
  599    HB2  GLU  74           1HB      GLU  74  -0.610   8.768 -12.502
  600    HB3  GLU  74           2HB      GLU  74   0.836   9.752 -12.689
  601    HG2  GLU  74           1HG      GLU  74  -1.785  10.195 -14.159
  602    HG3  GLU  74           2HG      GLU  74  -1.180  11.126 -12.792
  603    H    VAL  75           H        VAL  75   0.336   5.912 -14.246
  604    HA   VAL  75           HA       VAL  75   3.254   5.434 -13.901
  605    HB   VAL  75           HB       VAL  75   1.046   4.080 -12.274
  606   HG11  VAL  75          1HG1      VAL  75   2.695   2.370 -12.938
  607   HG12  VAL  75          2HG1      VAL  75   4.032   3.453 -12.446
  608   HG13  VAL  75          3HG1      VAL  75   2.920   2.772 -11.241
  609   HG21  VAL  75          3HG2      VAL  75   2.143   4.876 -10.300
  610   HG22  VAL  75          1HG2      VAL  75   3.549   5.422 -11.221
  611   HG23  VAL  75          2HG2      VAL  75   2.013   6.292 -11.359
  612    H    LYS  76           H        LYS  76   3.963   3.752 -15.212
  613    HA   LYS  76           HA       LYS  76   1.995   2.363 -16.955
  614    HB2  LYS  76           1HB      LYS  76   5.031   2.151 -16.863
  615    HB3  LYS  76           2HB      LYS  76   3.965   1.406 -18.050
  616    HG2  LYS  76           1HG      LYS  76   3.196   3.663 -18.791
  617    HG3  LYS  76           2HG      LYS  76   4.333   4.412 -17.652
  618    HD2  LYS  76           1HD      LYS  76   6.230   3.305 -18.806
  619    HD3  LYS  76           2HD      LYS  76   5.094   2.559 -19.953
  620    HE2  LYS  76           1HE      LYS  76   4.340   4.822 -20.668
  621    HE3  LYS  76           2HE      LYS  76   5.477   5.561 -19.533
  622    HZ1  LYS  76           3HZ      LYS  76   6.395   5.470 -21.774
  623    HZ2  LYS  76           1HZ      LYS  76   7.293   4.531 -20.786
  624    HZ3  LYS  76           2HZ      LYS  76   6.239   3.847 -21.835
  625    H    SER  77           H        SER  77   1.200   0.376 -16.465
  626    HA   SER  77           HA       SER  77   1.557  -0.872 -13.964
  627    HB2  SER  77           1HB      SER  77   0.404  -2.809 -15.031
  628    HB3  SER  77           2HB      SER  77  -0.406  -1.252 -15.259
  629    HG   SER  77           HG       SER  77  -0.288  -2.487 -17.224
  630    H    GLU  78           H        GLU  78   3.330  -1.452 -16.975
  631    HA   GLU  78           HA       GLU  78   4.564  -3.907 -16.350
  632    HB2  GLU  78           1HB      GLU  78   5.651  -1.609 -18.031
  633    HB3  GLU  78           2HB      GLU  78   6.230  -3.279 -18.060
  634    HG2  GLU  78           1HG      GLU  78   3.935  -4.019 -18.773
  635    HG3  GLU  78           2HG      GLU  78   3.455  -2.325 -18.887
  636    H    GLU  79           H        GLU  79   5.275  -0.767 -15.006
  637    HA   GLU  79           HA       GLU  79   7.953  -1.545 -14.015
  638    HB2  GLU  79           1HB      GLU  79   6.257   0.958 -13.648
  639    HB3  GLU  79           2HB      GLU  79   7.887   0.745 -13.043
  640    HG2  GLU  79           1HG      GLU  79   7.075   0.748 -15.985
  641    HG3  GLU  79           2HG      GLU  79   7.818   2.083 -15.118
  642    H    VAL  80           H        VAL  80   4.714  -1.871 -12.920
  643    HA   VAL  80           HA       VAL  80   5.173  -1.118 -10.158
  644    HB   VAL  80           HB       VAL  80   2.741  -2.495 -11.347
  645   HG11  VAL  80          1HG1      VAL  80   2.809  -2.737  -8.902
  646   HG12  VAL  80          2HG1      VAL  80   3.172  -1.017  -8.716
  647   HG13  VAL  80          3HG1      VAL  80   1.589  -1.537  -9.340
  648   HG21  VAL  80          3HG2      VAL  80   1.746  -0.233 -11.365
  649   HG22  VAL  80          1HG2      VAL  80   3.288   0.458 -10.808
  650   HG23  VAL  80          2HG2      VAL  80   3.163  -0.289 -12.411
  651    HA   PRO  81           HA       PRO  81   6.444  -5.323  -9.000
  652    HB2  PRO  81           1HB      PRO  81   7.284  -4.877  -6.461
  653    HB3  PRO  81           2HB      PRO  81   8.163  -4.215  -7.875
  654    HG2  PRO  81           1HG      PRO  81   6.092  -2.819  -6.155
  655    HG3  PRO  81           2HG      PRO  81   7.731  -2.231  -6.590
  656    HD2  PRO  81           1HD      PRO  81   5.497  -1.481  -7.977
  657    HD3  PRO  81           2HD      PRO  81   7.060  -1.746  -8.798
  658    H    ALA  82           H        ALA  82   5.943  -6.920  -7.291
  659    HA   ALA  82           HA       ALA  82   3.565  -6.558  -5.637
  660    HB1  ALA  82           1HB      ALA  82   2.607  -7.135  -7.871
  661    HB2  ALA  82           2HB      ALA  82   3.607  -8.599  -7.918
  662    HB3  ALA  82           3HB      ALA  82   2.326  -8.432  -6.699
  663    H    VAL  83           H        VAL  83   3.168  -8.500  -4.260
  664    HA   VAL  83           HA       VAL  83   5.468  -9.472  -3.056
  665    HB   VAL  83           HB       VAL  83   2.983  -9.143  -2.294
  666   HG11  VAL  83          1HG1      VAL  83   1.992 -10.924  -3.724
  667   HG12  VAL  83          2HG1      VAL  83   2.865 -12.145  -2.767
  668   HG13  VAL  83          3HG1      VAL  83   1.646 -11.116  -1.997
  669   HG21  VAL  83          3HG2      VAL  83   3.391 -10.449  -0.298
  670   HG22  VAL  83          1HG2      VAL  83   4.734 -11.300  -1.106
  671   HG23  VAL  83          2HG2      VAL  83   4.816  -9.540  -0.826
  672    H    GLY  84           H        GLY  84   4.029 -10.731  -5.882
  673    HA2  GLY  84           1HA      GLY  84   5.803 -12.580  -6.702
  674    HA3  GLY  84           2HA      GLY  84   4.862 -13.540  -5.567
  675    H    ILE  85           H        ILE  85   4.896 -14.376  -8.085
  676    HA   ILE  85           HA       ILE  85   2.177 -13.743  -9.191
  677    HB   ILE  85           HB       ILE  85   4.658 -14.423 -10.817
  678   HG12  ILE  85          1HG1      ILE  85   3.126 -11.794 -10.539
  679   HG13  ILE  85          2HG1      ILE  85   4.762 -12.110  -9.961
  680   HG21  ILE  85          1HG2      ILE  85   2.520 -15.347 -11.744
  681   HG22  ILE  85          2HG2      ILE  85   1.818 -13.716 -11.707
  682   HG23  ILE  85          3HG2      ILE  85   3.190 -14.097 -12.770
  683   HD11  ILE  85          3HD1      ILE  85   4.953 -10.844 -11.964
  684   HD12  ILE  85          1HD1      ILE  85   5.501 -12.492 -12.326
  685   HD13  ILE  85          2HD1      ILE  85   3.894 -11.937 -12.862
  686    H    VAL  86           H        VAL  86   0.901 -15.440  -8.818
  687    HA   VAL  86           HA       VAL  86   1.752 -18.209  -9.286
  688    HB   VAL  86           HB       VAL  86   0.652 -18.845  -7.091
  689   HG11  VAL  86          1HG1      VAL  86   3.106 -18.990  -7.460
  690   HG12  VAL  86          2HG1      VAL  86   3.280 -17.363  -6.757
  691   HG13  VAL  86          3HG1      VAL  86   2.662 -18.697  -5.771
  692   HG21  VAL  86          3HG2      VAL  86   0.661 -17.297  -5.214
  693   HG22  VAL  86          1HG2      VAL  86   1.197 -15.971  -6.258
  694   HG23  VAL  86          2HG2      VAL  86  -0.409 -16.701  -6.486
  695    HA   PRO  87           HA       PRO  87  -2.507 -18.372 -10.636
  696    HB2  PRO  87           1HB      PRO  87  -3.074 -21.049 -10.547
  697    HB3  PRO  87           2HB      PRO  87  -1.946 -20.331 -11.739
  698    HG2  PRO  87           1HG      PRO  87  -1.262 -21.672  -9.100
  699    HG3  PRO  87           2HG      PRO  87  -0.540 -21.974 -10.713
  700    HD2  PRO  87           1HD      PRO  87   0.633 -20.316  -8.896
  701    HD3  PRO  87           2HD      PRO  87   0.683 -19.956 -10.647
  702    HA   PRO  88           HA       PRO  88  -4.852 -18.324  -6.855
  703    HB2  PRO  88           1HB      PRO  88  -7.445 -18.407  -7.726
  704    HB3  PRO  88           2HB      PRO  88  -6.366 -17.005  -8.004
  705    HG2  PRO  88           1HG      PRO  88  -6.979 -19.287  -9.912
  706    HG3  PRO  88           2HG      PRO  88  -7.016 -17.526 -10.247
  707    HD2  PRO  88           1HD      PRO  88  -4.852 -19.075 -10.860
  708    HD3  PRO  88           2HD      PRO  88  -4.662 -17.390 -10.288
  709    HA   PRO  89           HA       PRO  89  -5.660 -22.615  -5.868
  710    HB2  PRO  89           1HB      PRO  89  -6.937 -22.427  -3.463
  711    HB3  PRO  89           2HB      PRO  89  -5.211 -22.002  -3.679
  712    HG2  PRO  89           1HG      PRO  89  -7.598 -20.128  -3.655
  713    HG3  PRO  89           2HG      PRO  89  -6.055 -19.966  -2.757
  714    HD2  PRO  89           1HD      PRO  89  -6.501 -18.688  -5.132
  715    HD3  PRO  89           2HD      PRO  89  -4.885 -19.321  -4.695
  716    H    SER  90           H        SER  90  -7.218 -24.145  -6.292
  717    HA   SER  90           HA       SER  90  -9.835 -23.242  -7.275
  718    HB2  SER  90           1HB      SER  90  -9.972 -25.602  -8.072
  719    HB3  SER  90           2HB      SER  90  -8.564 -24.711  -8.664
  720    HG   SER  90           HG       SER  90  -8.019 -26.841  -7.933
  721    H    GLY  91           H        GLY  91  -8.774 -24.214  -4.244
  722    HA2  GLY  91           1HA      GLY  91 -10.013 -24.543  -2.286
  723    HA3  GLY  91           2HA      GLY  91 -11.500 -24.630  -3.248
  724    HA   PRO  92           HA       PRO  92 -10.380 -28.903  -1.703
  725    HB2  PRO  92           1HB      PRO  92 -12.602 -29.433  -0.206
  726    HB3  PRO  92           2HB      PRO  92 -11.211 -28.496   0.422
  727    HG2  PRO  92           1HG      PRO  92 -13.803 -27.425  -0.739
  728    HG3  PRO  92           2HG      PRO  92 -12.992 -26.945   0.787
  729    HD2  PRO  92           1HD      PRO  92 -12.687 -25.536  -1.531
  730    HD3  PRO  92           2HD      PRO  92 -11.341 -25.721  -0.367
  731    H    SER  93           H        SER  93 -11.039 -30.779  -2.698
  732    HA   SER  93           HA       SER  93 -13.511 -30.818  -4.371
  733    HB2  SER  93           1HB      SER  93 -12.165 -31.490  -6.309
  734    HB3  SER  93           2HB      SER  93 -11.721 -29.882  -5.726
  735    HG   SER  93           HG       SER  93  -9.867 -31.175  -6.197
  736    H    SER  94           H        SER  94 -12.163 -32.427  -1.944
  737    HA   SER  94           HA       SER  94 -13.268 -35.025  -2.622
  738    HB2  SER  94           1HB      SER  94 -11.188 -36.295  -2.432
  739    HB3  SER  94           2HB      SER  94 -11.134 -35.202  -3.816
  740    HG   SER  94           HG       SER  94  -9.174 -35.157  -2.611
  741    H    GLY  95           H        GLY  95 -12.942 -36.616  -0.818
  742    HA2  GLY  95           1HA      GLY  95 -12.073 -35.854   1.806
  743    HA3  GLY  95           2HA      GLY  95 -13.814 -35.605   1.663