*HEADER    RNA BINDING PROTEIN/RNA                 27-JUN-11   2RS2              
*TITLE     1H, 13C, AND 15N CHEMICAL SHIFT ASSIGNMENTS FOR MUSASHI1 RBD1:R(GUAGU)
*TITLE    2 COMPLEX                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA-BINDING PROTEIN MUSASHI HOMOLOG 1;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM 1 DOMAIN, UNP RESIDUES 20-103;                         
*COMPND   5 SYNONYM: MUSASHI-1;                                                  
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: RNA (5'-R(*GP*UP*AP*GP*U)-3');                             
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 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: MSI1, MSI1H;                                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET15B;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 OTHER_DETAILS: SYNTHETIC RNA                                         
*KEYWDS    MUSASHI, PROTEIN-RNA COMPLEX, RRM, RBD, RNA BINDING PROTEIN-RNA       
*KEYWDS   2 COMPLEX                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.OHYAMA, T.NAGATA, K.TSUDA, T.IMAI, H.OKANO, T.YAMAZAKI, M.KATAHIRA  
*REVDAT   1   28-DEC-11 2RS2    0                                                


#
#  chirality for residue 1 atoms:  CA SG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 250., rk3 = 250.,  &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,12,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=16,21,19,20, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=18,24,22,23, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=21,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=14,34,17,18, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=38,43,41,42, &end
#
#  chirality for residue 3 atoms:  CB SD HG2 HG3
 &rst iat=40,46,44,45, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=36,51,39,40, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=55,60,58,59, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=53,71,56,57, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=75,79,83,78, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=77,86,84,85, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=73,90,76,77, &end
#
#  chirality for residue 6 atoms:  N C HA2 HA3
 &rst iat=92,97,95,96, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 8 atoms:  CB CD1 CD2 HG
 &rst iat=110,115,119,114, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=106,123,109,110, &end
#
#  chirality for residue 9 atoms:  CA OG HB2 HB3
 &rst iat=127,132,130,131, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=125,134,128,129, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=138,143,141,142, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=136,158,139,140, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=162,167,165,166, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=164,170,168,169, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=160,175,163,164, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=179,183,187,182, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=177,189,180,181, &end
#
#  chirality for residue 13 atoms:  CA CG2 OG1 HB
 &rst iat=193,197,201,196, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=191,203,194,195, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=207,212,210,211, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=209,215,213,214, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=205,220,208,209, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=224,229,227,228, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=226,232,230,231, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=222,235,225,226, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=237,242,240,241, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=246,251,249,250, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=248,253,257,252, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=244,261,247,248, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=265,270,268,269, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=267,273,271,272, &end
#
#  chirality for residue 18 atoms:  CG NE HD2 HD3
 &rst iat=270,276,274,275, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=263,285,266,267, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=289,294,292,293, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=291,297,295,296, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=287,300,290,291, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=304,309,307,308, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=302,321,305,306, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=325,330,328,329, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=323,341,326,327, &end
#
#  chirality for residue 22 atoms:  N C HA2 HA3
 &rst iat=343,348,346,347, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=352,357,355,356, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=354,360,358,359, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=350,365,353,354, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=369,374,372,373, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=367,385,370,371, &end
#
#  chirality for residue 25 atoms:  N C HA2 HA3
 &rst iat=387,392,390,391, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=396,401,399,400, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=398,404,402,403, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=394,407,397,398, &end
#
#  chirality for residue 27 atoms:  CA CG1 CG2 HB
 &rst iat=411,415,419,414, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=409,423,412,413, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=427,432,430,431, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=429,435,433,434, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=435,441,439,440, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=432,438,436,437, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=425,445,428,429, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=449,454,452,453, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=451,457,455,456, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=447,460,450,451, &end
#
#  chirality for residue 30 atoms:  CA SG HB2 HB3
 &rst iat=464,469,467,468, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=462,471,465,466, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=475,480,478,479, &end
#
#  chirality for residue 31 atoms:  CB CD1 CD2 HG
 &rst iat=477,482,486,481, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=473,490,476,477, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=494,498,502,497, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=492,506,495,496, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=510,515,513,514, &end
#
#  chirality for residue 33 atoms:  CB SD HG2 HG3
 &rst iat=512,518,516,517, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=508,523,511,512, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=527,532,530,531, &end
#
#  chirality for residue 34 atoms:  CB CD HG2 HG3
 &rst iat=529,535,533,534, &end
#
#  chirality for residue 34 atoms:  CG NE HD2 HD3
 &rst iat=532,538,536,537, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=525,547,528,529, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=551,556,554,555, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=549,559,552,553, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=571,565,569,570, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=568,562,566,567, &end
#
#  chirality for residue 36 atoms:  CG N HD2 HD3
 &rst iat=565,561,563,564, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=561,573,572,568, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=577,582,580,581, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=579,584,588,583, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=575,592,578,579, &end
#
#  chirality for residue 38 atoms:  CA CG2 OG1 HB
 &rst iat=596,600,604,599, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=594,606,597,598, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=610,615,613,614, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=612,618,616,617, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=618,624,622,623, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=615,621,619,620, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=608,628,611,612, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=632,637,635,636, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=634,640,638,639, &end
#
#  chirality for residue 40 atoms:  CG NE HD2 HD3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=630,652,633,634, &end
#
#  chirality for residue 41 atoms:  CA OG HB2 HB3
 &rst iat=656,661,659,660, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=654,663,657,658, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=667,672,670,671, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=669,675,673,674, &end
#
#  chirality for residue 42 atoms:  CG NE HD2 HD3
 &rst iat=672,678,676,677, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=665,687,668,669, &end
#
#  chirality for residue 43 atoms:  N C HA2 HA3
 &rst iat=689,694,692,693, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=698,703,701,702, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=696,714,699,700, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=716,721,719,720, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=725,730,728,729, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=723,741,726,727, &end
#
#  chirality for residue 47 atoms:  CA CG1 CG2 HB
 &rst iat=745,749,753,748, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=743,757,746,747, &end
#
#  chirality for residue 48 atoms:  CA CG2 OG1 HB
 &rst iat=761,765,769,764, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=759,771,762,763, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=775,780,778,779, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=773,791,776,777, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=795,800,798,799, &end
#
#  chirality for residue 50 atoms:  CB SD HG2 HG3
 &rst iat=797,803,801,802, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=793,808,796,797, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=812,817,815,816, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=810,820,813,814, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=824,829,827,828, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=826,832,830,831, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=822,837,825,826, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=839,847,842,843, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=849,854,852,853, &end
#
#  chirality for residue 55 atoms:  CA CG1 CG2 HB
 &rst iat=858,862,866,861, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=856,870,859,860, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=872,882,875,876, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=886,891,889,890, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=888,894,892,893, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=894,900,898,899, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=891,897,895,896, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=884,904,887,888, &end
#
#  chirality for residue 58 atoms:  CA CG1 CG2 HB
 &rst iat=908,912,916,911, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=906,920,909,910, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 59 atoms:  CB CD1 CD2 HG
 &rst iat=926,931,935,930, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=922,939,925,926, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=941,949,944,945, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=953,958,956,957, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=955,961,959,960, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=951,966,954,955, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=968,977,971,972, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=983,989,987,988, &end
#
#  chirality for residue 63 atoms:  CG NE HD2 HD3
 &rst iat=986,992,990,991, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=979,1001,982,983, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=1005,1010,1008,1009, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1003,1018,1006,1007, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1022,1027,1025,1026, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1024,1030,1028,1029, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1020,1033,1023,1024, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1037,1042,1040,1041, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=1039,1044,1048,1043, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1035,1052,1038,1039, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1056,1061,1059,1060, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1054,1064,1057,1058, &end
#
#  chirality for residue 68 atoms:  CA OG HB2 HB3
 &rst iat=1068,1073,1071,1072, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1066,1075,1069,1070, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1079,1084,1082,1083, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1081,1087,1085,1086, &end
#
#  chirality for residue 69 atoms:  CD NZ HE2 HE3
 &rst iat=1087,1093,1091,1092, &end
#
#  chirality for residue 69 atoms:  CG CE HD2 HD3
 &rst iat=1084,1090,1088,1089, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1077,1097,1080,1081, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1101,1105,1109,1104, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1099,1111,1102,1103, &end
#
#  chirality for residue 71 atoms:  CA CG2 CG1 HB
 &rst iat=1115,1119,1123,1118, &end
#
#  chirality for residue 71 atoms:  CB CD1 HG12 HG13
 &rst iat=1117,1126,1124,1125, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1113,1130,1116,1117, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1134,1139,1137,1138, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1132,1142,1135,1136, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1154,1148,1152,1153, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1151,1145,1149,1150, &end
#
#  chirality for residue 73 atoms:  CG N HD2 HD3
 &rst iat=1148,1144,1146,1147, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1144,1156,1155,1151, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1160,1165,1163,1164, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=1162,1168,1166,1167, &end
#
#  chirality for residue 74 atoms:  CD NZ HE2 HE3
 &rst iat=1168,1174,1172,1173, &end
#
#  chirality for residue 74 atoms:  CG CE HD2 HD3
 &rst iat=1165,1171,1169,1170, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1158,1178,1161,1162, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1182,1186,1190,1185, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1180,1194,1183,1184, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1196,1204,1199,1200, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1206,1224,1209,1210, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1236,1230,1234,1235, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1233,1227,1231,1232, &end
#
#  chirality for residue 78 atoms:  CG N HD2 HD3
 &rst iat=1230,1226,1228,1229, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1226,1238,1237,1233, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1242,1247,1245,1246, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1244,1250,1248,1249, &end
#
#  chirality for residue 79 atoms:  CG NE HD2 HD3
 &rst iat=1247,1253,1251,1252, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1240,1262,1243,1244, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1266,1271,1269,1270, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=1268,1274,1272,1273, &end
#
#  chirality for residue 80 atoms:  CG NE HD2 HD3
 &rst iat=1271,1277,1275,1276, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1264,1286,1267,1268, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1288,1296,1291,1292, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1302,1308,1306,1307, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1298,1313,1301,1302, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1325,1319,1323,1324, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1322,1316,1320,1321, &end
#
#  chirality for residue 83 atoms:  CG N HD2 HD3
 &rst iat=1319,1315,1317,1318, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1315,1327,1326,1322, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1331,1336,1334,1335, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1333,1339,1337,1338, &end
#
#  chirality for residue 84 atoms:  CD NZ HE2 HE3
 &rst iat=1339,1345,1343,1344, &end
#
#  chirality for residue 84 atoms:  CG CE HD2 HD3
 &rst iat=1336,1342,1340,1341, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1329,1349,1332,1333, &end
#
#  trans-omega constraint for residue 2
 &rst iat=16,14,12,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=38,36,34,16, &end
#
#  trans-omega constraint for residue 4
 &rst iat=55,53,51,38, &end
#
#  trans-omega constraint for residue 5
 &rst iat=75,73,71,55, &end
#
#  trans-omega constraint for residue 6
 &rst iat=94,92,90,75, &end
#
#  trans-omega constraint for residue 7
 &rst iat=101,99,97,94, &end
#
#  trans-omega constraint for residue 8
 &rst iat=108,106,104,101, &end
#
#  trans-omega constraint for residue 9
 &rst iat=127,125,123,108, &end
#
#  trans-omega constraint for residue 10
 &rst iat=138,136,134,127, &end
#
#  trans-omega constraint for residue 11
 &rst iat=162,160,158,138, &end
#
#  trans-omega constraint for residue 12
 &rst iat=179,177,175,162, &end
#
#  trans-omega constraint for residue 13
 &rst iat=193,191,189,179, &end
#
#  trans-omega constraint for residue 14
 &rst iat=207,205,203,193, &end
#
#  trans-omega constraint for residue 15
 &rst iat=224,222,220,207, &end
#
#  trans-omega constraint for residue 16
 &rst iat=239,237,235,224, &end
#
#  trans-omega constraint for residue 17
 &rst iat=246,244,242,239, &end
#
#  trans-omega constraint for residue 18
 &rst iat=265,263,261,246, &end
#
#  trans-omega constraint for residue 19
 &rst iat=289,287,285,265, &end
#
#  trans-omega constraint for residue 20
 &rst iat=304,302,300,289, &end
#
#  trans-omega constraint for residue 21
 &rst iat=325,323,321,304, &end
#
#  trans-omega constraint for residue 22
 &rst iat=345,343,341,325, &end
#
#  trans-omega constraint for residue 23
 &rst iat=352,350,348,345, &end
#
#  trans-omega constraint for residue 24
 &rst iat=369,367,365,352, &end
#
#  trans-omega constraint for residue 25
 &rst iat=389,387,385,369, &end
#
#  trans-omega constraint for residue 26
 &rst iat=396,394,392,389, &end
#
#  trans-omega constraint for residue 27
 &rst iat=411,409,407,396, &end
#
#  trans-omega constraint for residue 28
 &rst iat=427,425,423,411, &end
#
#  trans-omega constraint for residue 29
 &rst iat=449,447,445,427, &end
#
#  trans-omega constraint for residue 30
 &rst iat=464,462,460,449, &end
#
#  trans-omega constraint for residue 31
 &rst iat=475,473,471,464, &end
#
#  trans-omega constraint for residue 32
 &rst iat=494,492,490,475, &end
#
#  trans-omega constraint for residue 33
 &rst iat=510,508,506,494, &end
#
#  trans-omega constraint for residue 34
 &rst iat=527,525,523,510, &end
#
#  trans-omega constraint for residue 35
 &rst iat=551,549,547,527, &end
#
#  trans-omega constraint for residue 36
 &rst iat=571,561,559,551, &end
#
#  trans-omega constraint for residue 37
 &rst iat=577,575,573,571, &end
#
#  trans-omega constraint for residue 38
 &rst iat=596,594,592,577, &end
#
#  trans-omega constraint for residue 39
 &rst iat=610,608,606,596, &end
#
#  trans-omega constraint for residue 40
 &rst iat=632,630,628,610, &end
#
#  trans-omega constraint for residue 41
 &rst iat=656,654,652,632, &end
#
#  trans-omega constraint for residue 42
 &rst iat=667,665,663,656, &end
#
#  trans-omega constraint for residue 43
 &rst iat=691,689,687,667, &end
#
#  trans-omega constraint for residue 44
 &rst iat=698,696,694,691, &end
#
#  trans-omega constraint for residue 45
 &rst iat=718,716,714,698, &end
#
#  trans-omega constraint for residue 46
 &rst iat=725,723,721,718, &end
#
#  trans-omega constraint for residue 47
 &rst iat=745,743,741,725, &end
#
#  trans-omega constraint for residue 48
 &rst iat=761,759,757,745, &end
#
#  trans-omega constraint for residue 49
 &rst iat=775,773,771,761, &end
#
#  trans-omega constraint for residue 50
 &rst iat=795,793,791,775, &end
#
#  trans-omega constraint for residue 51
 &rst iat=812,810,808,795, &end
#
#  trans-omega constraint for residue 52
 &rst iat=824,822,820,812, &end
#
#  trans-omega constraint for residue 53
 &rst iat=841,839,837,824, &end
#
#  trans-omega constraint for residue 54
 &rst iat=851,849,847,841, &end
#
#  trans-omega constraint for residue 55
 &rst iat=858,856,854,851, &end
#
#  trans-omega constraint for residue 56
 &rst iat=874,872,870,858, &end
#
#  trans-omega constraint for residue 57
 &rst iat=886,884,882,874, &end
#
#  trans-omega constraint for residue 58
 &rst iat=908,906,904,886, &end
#
#  trans-omega constraint for residue 59
 &rst iat=924,922,920,908, &end
#
#  trans-omega constraint for residue 60
 &rst iat=943,941,939,924, &end
#
#  trans-omega constraint for residue 61
 &rst iat=953,951,949,943, &end
#
#  trans-omega constraint for residue 62
 &rst iat=970,968,966,953, &end
#
#  trans-omega constraint for residue 63
 &rst iat=981,979,977,970, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1005,1003,1001,981, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1022,1020,1018,1005, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1037,1035,1033,1022, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1056,1054,1052,1037, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1068,1066,1064,1056, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1079,1077,1075,1068, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1101,1099,1097,1079, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1115,1113,1111,1101, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1134,1132,1130,1115, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1154,1144,1142,1134, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1160,1158,1156,1154, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1182,1180,1178,1160, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1198,1196,1194,1182, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1208,1206,1204,1198, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1236,1226,1224,1208, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1242,1240,1238,1236, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1266,1264,1262,1242, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1290,1288,1286,1266, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1300,1298,1296,1290, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1325,1315,1313,1300, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1331,1329,1327,1325, &end
#
# 1 CYS HA 55 VAL QG2 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2= 867, 868, 869,
 &end
#
# 1 CYS HB2 48 THR QG2 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=   8,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 766, 767, 768,
 &end
#
# 1 CYS HB2 49 PHE HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=   8, 778, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 1 CYS HB2 49 PHE HB3 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=   8, 779, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 1 CYS HB2 49 PHE HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=   8, 774, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 1 CYS HB2 52 GLN HA 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=   8, 825, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 1 CYS HB2 55 VAL QG2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=   8,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 867, 868, 869,
 &end
#
# 1 CYS HB3 48 THR QG2 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=   9,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 766, 767, 768,
 &end
#
# 1 CYS HB3 49 PHE HB2 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=   9, 778, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 1 CYS HB3 49 PHE HB3 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=   9, 779, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 1 CYS HB3 49 PHE HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=   9, 774, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 1 CYS HB3 52 GLN HA 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=   9, 825, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 1 CYS HB3 55 VAL QG2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=   9,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 867, 868, 869,
 &end
#
# 1 CYS QB 48 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=   8,   9,
 igr2= 766, 767, 768,
 &end
#
# 1 CYS QB 49 PHE HB2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 778, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=   8,   9,
 &end
#
# 1 CYS QB 49 PHE HB3 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 779, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   8,   9,
 &end
#
# 1 CYS QB 49 PHE HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=   8,   9,
 &end
#
# 1 CYS QB 52 GLN HA 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 825, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=   8,   9,
 &end
#
# 1 CYS QB 55 VAL QG2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=   8,   9,
 igr2= 867, 868, 869,
 &end
#
# 2 LYS+ HA 2 LYS+ QD 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  25,  26,
 &end
#
# 2 LYS+ HA 2 LYS+ QE 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=  28,  29,
 &end
#
# 2 LYS+ HA 2 LYS+ QG 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=  22,  23,
 &end
#
# 2 LYS+ HA 3 MET HB2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  41, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 2 LYS+ HA 3 MET HG3 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  45, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 2 LYS+ HA 3 MET HN 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  37, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 2 LYS+ HA 48 THR HA 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 762, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 2 LYS+ HA 48 THR QG2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  17,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 766, 767, 768,
 &end
#
# 2 LYS+ HA 49 PHE HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 774, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 2 LYS+ HB2 3 MET HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  37, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 2 LYS+ HB2 76 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1201,1202,1203,
 &end
#
# 2 LYS+ HB3 3 MET HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  37, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 2 LYS+ HB3 76 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  20,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1201,1202,1203,
 &end
#
# 2 LYS+ HE2 46 PHE QD 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 732, 740,
 &end
#
# 2 LYS+ HE3 46 PHE QD 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 732, 740,
 &end
#
# 2 LYS+ HG2 2 LYS+ HE2 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  28, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 2 LYS+ HG2 2 LYS+ HE3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  29, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 2 LYS+ HG2 3 MET HN 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  37, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 2 LYS+ HG2 46 PHE QD 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 732, 740,
 &end
#
# 2 LYS+ HG3 2 LYS+ HE2 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  28, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 2 LYS+ HG3 2 LYS+ HE3 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  29, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 2 LYS+ HG3 3 MET HN 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  37, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 2 LYS+ HG3 46 PHE QD 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 732, 740,
 &end
#
# 2 LYS+ HN 2 LYS+ HB2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  19, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 2 LYS+ HN 2 LYS+ HB3 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  20, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 2 LYS+ HN 2 LYS+ QB 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=  19,  20,
 &end
#
# 2 LYS+ HN 2 LYS+ QG 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2=  22,  23,
 &end
#
# 2 LYS+ HN 76 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1201,1202,1203,
 &end
#
# 2 LYS+ QB 2 LYS+ QD 1.80 2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr1=  19,  20,
 igr2=  25,  26,
 &end
#
# 2 LYS+ QB 2 LYS+ QE 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  19,  20,
 igr2=  28,  29,
 &end
#
# 2 LYS+ QB 48 THR QG2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=  19,  20,
 igr2= 766, 767, 768,
 &end
#
# 2 LYS+ QB 76 ALA QB 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=  19,  20,
 igr2=1201,1202,1203,
 &end
#
# 2 LYS+ QE 46 PHE HB2 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=  28,  29,
 &end
#
# 2 LYS+ QE 46 PHE HB3 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=  28,  29,
 &end
#
# 2 LYS+ QE 47 VAL HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  28,  29,
 &end
#
# 2 LYS+ QG 2 LYS+ QE 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  22,  23,
 igr2=  28,  29,
 &end
#
# 2 LYS+ QG 3 MET HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  22,  23,
 &end
#
# 2 LYS+ QG 46 PHE HA 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=  22,  23,
 &end
#
# 2 LYS+ QG 46 PHE HB2 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=  22,  23,
 &end
#
# 2 LYS+ QG 46 PHE HB3 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  22,  23,
 &end
#
# 2 LYS+ QG 46 PHE QD 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=  22,  23,
 igr2= 732, 740,
 &end
#
# 2 LYS+ QG 47 VAL HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=  22,  23,
 &end
#
# 2 LYS+ QG 48 THR HA 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 762, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=  22,  23,
 &end
#
# 3 MET HA 3 MET HG2 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  44, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 3 MET HA 3 MET HG3 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  45, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 3 MET HA 3 MET QE 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=  48,  49,  50,
 &end
#
# 3 MET HA 4 PHE HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  54, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 3 MET HA 75 VAL HA 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  39,1183, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 3 MET HA 75 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1187,1188,1189,
 &end
#
# 3 MET HA 75 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1191,1192,1193,
 &end
#
# 3 MET HA 75 VAL QQG 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 3 MET HA 76 ALA HN 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  39,1197, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 3 MET HA 76 ALA QB 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1201,1202,1203,
 &end
#
# 3 MET HB2 47 VAL HB 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 748, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 3 MET HB2 47 VAL HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 744, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 3 MET HB2 47 VAL QG2 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 754, 755, 756,
 &end
#
# 3 MET HB2 4 PHE HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  54, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 3 MET HB2 5 ILE QD1 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  87,  88,  89,
 &end
#
# 3 MET HB3 3 MET QE 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=  48,  49,  50,
 &end
#
# 3 MET HB3 47 VAL HB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 748, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 3 MET HB3 4 PHE HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  54, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 3 MET HB3 58 VAL QG1 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 913, 914, 915,
 &end
#
# 3 MET HB3 5 ILE HG12 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  84, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 3 MET HB3 5 ILE QD1 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=  87,  88,  89,
 &end
#
# 3 MET HB3 74 LYS+ HN 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  42,1159, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 3 MET HB3 75 VAL HA 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  42,1183, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 3 MET HG2 3 MET QE 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=  48,  49,  50,
 &end
#
# 3 MET HG2 49 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 782, 790,
 &end
#
# 3 MET HG2 49 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 788,
 &end
#
# 3 MET HG2 4 PHE HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  54, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 3 MET HG2 55 VAL QG1 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 863, 864, 865,
 &end
#
# 3 MET HG2 55 VAL QG2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 867, 868, 869,
 &end
#
# 3 MET HG2 75 VAL HA 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  44,1183, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 3 MET HG2 75 VAL QG1 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1187,1188,1189,
 &end
#
# 3 MET HG2 75 VAL QG2 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1191,1192,1193,
 &end
#
# 3 MET HG2 75 VAL QQG 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 3 MET HG2 76 ALA QB 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1201,1202,1203,
 &end
#
# 3 MET HG3 3 MET QE 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=  48,  49,  50,
 &end
#
# 3 MET HG3 49 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 774, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3 MET HG3 49 PHE QD 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 782, 790,
 &end
#
# 3 MET HG3 49 PHE QE 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 784, 788,
 &end
#
# 3 MET HG3 4 PHE HN 1.80 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  54, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
# 3 MET HG3 55 VAL QG1 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 863, 864, 865,
 &end
#
# 3 MET HG3 55 VAL QG2 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 867, 868, 869,
 &end
#
# 3 MET HG3 5 ILE QD1 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2=  87,  88,  89,
 &end
#
# 3 MET HG3 75 VAL HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  45,1183, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 3 MET HG3 75 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1187,1188,1189,
 &end
#
# 3 MET HG3 75 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1191,1192,1193,
 &end
#
# 3 MET HG3 75 VAL QQG 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 3 MET HG3 76 ALA QB 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1201,1202,1203,
 &end
#
# 3 MET HN 3 MET HB2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  41, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
# 3 MET HN 3 MET HG2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  44, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
# 3 MET HN 3 MET HG3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  45, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 3 MET HN 46 PHE HA 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  37, 726, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 3 MET HN 47 VAL HB 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  37, 748, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 3 MET HN 47 VAL HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  37, 744, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 3 MET HN 47 VAL QG1 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2= 750, 751, 752,
 &end
#
# 3 MET HN 48 THR HA 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  37, 762, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 3 MET HN 4 PHE HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  54, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 3 MET HN 5 ILE QD1 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=  87,  88,  89,
 &end
#
# 3 MET HN 76 ALA QB 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2=1201,1202,1203,
 &end
#
# 3 MET QE 21 PHE QE 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=  48,  49,  50,
 igr2= 334, 338,
 &end
#
# 3 MET QE 49 PHE QE 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=  48,  49,  50,
 igr2= 784, 788,
 &end
#
# 3 MET QE 55 VAL HA 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 55 VAL QG1 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=  48,  49,  50,
 igr2= 863, 864, 865,
 &end
#
# 3 MET QE 55 VAL QG2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  48,  49,  50,
 igr2= 867, 868, 869,
 &end
#
# 3 MET QE 58 VAL HA 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 58 VAL HB 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 58 VAL HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 58 VAL QG1 1.80 2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=  48,  49,  50,
 igr2= 913, 914, 915,
 &end
#
# 3 MET QE 59 LEU HA 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 59 LEU HN 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 59 LEU QD1 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  48,  49,  50,
 igr2= 932, 933, 934,
 &end
#
# 3 MET QE 59 LEU QD2 1.80 2.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,
 igr1=  48,  49,  50,
 igr2= 936, 937, 938,
 &end
#
# 3 MET QE 5 ILE QD1 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=  48,  49,  50,
 igr2=  87,  88,  89,
 &end
#
# 3 MET QE 73 PRO HA 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 74 LYS+ HA 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 74 LYS+ HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 75 VAL HA 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 75 VAL HN 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  48,  49,  50,
 &end
#
# 3 MET QE 75 VAL QQG 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=  48,  49,  50,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 3 MET QE 76 ALA HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  48,  49,  50,
 &end
#
# 4 PHE HA 46 PHE HA 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 726, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 4 PHE HA 46 PHE QD 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 732, 740,
 &end
#
# 4 PHE HA 46 PHE QE 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 734, 738,
 &end
#
# 4 PHE HA 47 VAL HN 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  56, 744, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 4 PHE HA 5 ILE HG12 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  84, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 4 PHE HA 5 ILE HN 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  74, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 4 PHE HA 5 ILE QD1 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=  87,  88,  89,
 &end
#
# 4 PHE HA 76 ALA QB 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1201,1202,1203,
 &end
#
# 4 PHE HB2 46 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  58, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 4 PHE HB2 46 PHE QD 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 732, 740,
 &end
#
# 4 PHE HB2 46 PHE QE 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 734, 738,
 &end
#
# 4 PHE HB2 5 ILE HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  74, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 4 PHE HB2 76 ALA QB 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1201,1202,1203,
 &end
#
# 4 PHE HB3 5 ILE HN 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  74, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 4 PHE HB3 74 LYS+ HN 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  59,1159, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 4 PHE HB3 74 LYS+ QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1163,1164,
 &end
#
# 4 PHE HB3 74 LYS+ QD 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1169,1170,
 &end
#
# 4 PHE HB3 74 LYS+ QG 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2=1166,1167,
 &end
#
# 4 PHE HB3 76 ALA QB 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1201,1202,1203,
 &end
#
# 4 PHE HN 46 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 732, 740,
 &end
#
# 4 PHE HN 4 PHE HB2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  58, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 4 PHE HN 4 PHE HB3 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  59, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 4 PHE HN 74 LYS+ HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  54,1159, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 4 PHE HN 75 VAL HA 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  54,1183, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 4 PHE HN 76 ALA HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  54,1197, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 4 PHE HN 76 ALA QB 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1201,1202,1203,
 &end
#
# 4 PHE HZ 44 PHE HB2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 701, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 4 PHE HZ 44 PHE HB3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  66, 702, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 4 PHE HZ 6 GLY HA2 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  95, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 4 PHE HZ 6 GLY HA3 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  66,  96, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 5 ILE HA 5 ILE QD1 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  87,  88,  89,
 &end
#
# 5 ILE HA 5 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  80,  81,  82,
 &end
#
# 5 ILE HA 6 GLY HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  93, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 5 ILE HA 73 PRO HA 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1155, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 5 ILE HA 73 PRO HB2 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1152, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 5 ILE HA 73 PRO HB3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1153, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 5 ILE HA 74 LYS+ HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1159, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 5 ILE HB 17 LEU QD1 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 254, 255, 256,
 &end
#
# 5 ILE HB 45 GLY HN 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 717, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 5 ILE HB 46 PHE HA 1.80 5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 726, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 5 ILE HB 46 PHE HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 724, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 5 ILE HB 5 ILE QD1 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=  87,  88,  89,
 &end
#
# 5 ILE HB 8 LEU QD1 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 116, 117, 118,
 &end
#
# 5 ILE HB 8 LEU QD2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 120, 121, 122,
 &end
#
# 5 ILE HG12 21 PHE QE 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 334, 338,
 &end
#
# 5 ILE HG12 46 PHE HA 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 726, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5 ILE HG12 46 PHE HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 724, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 5 ILE HG12 47 VAL HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 744, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 5 ILE HG12 47 VAL QG2 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 754, 755, 756,
 &end
#
# 5 ILE HG12 8 LEU QQD 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 5 ILE HG13 21 PHE HZ 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 336, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 5 ILE HG13 21 PHE QD 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 332, 340,
 &end
#
# 5 ILE HG13 21 PHE QE 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 334, 338,
 &end
#
# 5 ILE HG13 31 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 5 ILE HG13 45 GLY HA3 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 720, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 5 ILE HG13 46 PHE HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 726, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 5 ILE HG13 46 PHE HN 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 724, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 5 ILE HG13 47 VAL HB 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 748, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 5 ILE HG13 47 VAL QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 754, 755, 756,
 &end
#
# 5 ILE HG13 73 PRO HB3 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  85,1153, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 5 ILE HN 45 GLY HN 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 717, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 5 ILE HN 46 PHE HA 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 726, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 5 ILE HN 46 PHE QD 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 732, 740,
 &end
#
# 5 ILE HN 5 ILE HB 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  78, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 5 ILE HN 5 ILE HG12 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  84, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 5 ILE HN 5 ILE HG13 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  85, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 5 ILE HN 5 ILE QD1 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=  87,  88,  89,
 &end
#
# 5 ILE HN 5 ILE QG2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=  80,  81,  82,
 &end
#
# 5 ILE QD1 17 LEU QD1 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1=  87,  88,  89,
 igr2= 254, 255, 256,
 &end
#
# 5 ILE QD1 21 PHE HZ 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 21 PHE QD 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=  87,  88,  89,
 igr2= 332, 340,
 &end
#
# 5 ILE QD1 21 PHE QE 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=  87,  88,  89,
 igr2= 334, 338,
 &end
#
# 5 ILE QD1 46 PHE HA 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 47 VAL HB 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 47 VAL HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 47 VAL QG2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  87,  88,  89,
 igr2= 754, 755, 756,
 &end
#
# 5 ILE QD1 6 GLY HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 73 PRO HA 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 73 PRO HB2 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 73 PRO HB3 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 73 PRO HG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 73 PRO HG3 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QD1 74 LYS+ HN 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=  87,  88,  89,
 &end
#
# 5 ILE QG2 21 PHE HZ 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 21 PHE QD 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=  80,  81,  82,
 igr2= 332, 340,
 &end
#
# 5 ILE QG2 21 PHE QE 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=  80,  81,  82,
 igr2= 334, 338,
 &end
#
# 5 ILE QG2 44 PHE HA 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 45 GLY HA3 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 45 GLY HN 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 47 VAL HB 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 5 ILE HG12 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 5 ILE QD1 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=  80,  81,  82,
 igr2=  87,  88,  89,
 &end
#
# 5 ILE QG2 6 GLY HN 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 71 ILE HB 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 72 ASP- HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 73 PRO HA 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 73 PRO HB2 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 73 PRO HB3 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 73 PRO HD3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 73 PRO HG3 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 74 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 8 LEU HG 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=  80,  81,  82,
 &end
#
# 5 ILE QG2 8 LEU QQD 1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  80,  81,  82,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 6 GLY HN 72 ASP- HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  93,1133, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 6 GLY HN 72 ASP- QB 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2=1137,1138,
 &end
#
# 6 GLY HN 73 PRO HA 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  93,1155, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 6 GLY HN 8 LEU QQD 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 6 GLY QA 44 PHE HA 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=  95,  96,
 &end
#
# 6 GLY QA 44 PHE HB2 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=  95,  96,
 &end
#
# 6 GLY QA 44 PHE HB3 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=  95,  96,
 &end
#
# 6 GLY QA 7 GLY QA 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=  95,  96,
 igr2= 102, 103,
 &end
#
# 7 GLY HN 8 LEU HN 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 107, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 7 GLY QA 43 GLY QA 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 102, 103,
 igr2= 692, 693,
 &end
#
# 8 LEU HA 12 THR QG2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 184, 185, 186,
 &end
#
# 8 LEU HA 69 LYS+ HB3 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 109,1083, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 8 LEU HA 71 ILE QG2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1120,1121,1122,
 &end
#
# 8 LEU HA 8 LEU QD1 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 116, 117, 118,
 &end
#
# 8 LEU HA 8 LEU QD2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 120, 121, 122,
 &end
#
# 8 LEU HA 8 LEU QQD 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU HA 9 SER HN 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 126, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 8 LEU HB2 12 THR HB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 8 LEU HB2 8 LEU QD1 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 116, 117, 118,
 &end
#
# 8 LEU HB2 8 LEU QD2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 120, 121, 122,
 &end
#
# 8 LEU HB2 9 SER HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 111, 126, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 8 LEU HB3 12 THR HB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 182, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 8 LEU HB3 8 LEU QD1 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 116, 117, 118,
 &end
#
# 8 LEU HB3 8 LEU QD2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 120, 121, 122,
 &end
#
# 8 LEU HB3 9 SER HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 126, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 8 LEU HG 44 PHE HA 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 699, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 8 LEU HG 71 ILE QD1 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1127,1128,1129,
 &end
#
# 8 LEU HG 71 ILE QG2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1120,1121,1122,
 &end
#
# 8 LEU HN 43 GLY HA2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 692, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 8 LEU HN 43 GLY HA3 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 693, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 8 LEU HN 43 GLY QA 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 692, 693,
 &end
#
# 8 LEU HN 44 PHE HA 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 699, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 8 LEU HN 71 ILE QG2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1120,1121,1122,
 &end
#
# 8 LEU HN 8 LEU HG 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 114, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 8 LEU HN 8 LEU QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 111, 112,
 &end
#
# 8 LEU HN 8 LEU QD1 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 116, 117, 118,
 &end
#
# 8 LEU HN 8 LEU QD2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 120, 121, 122,
 &end
#
# 8 LEU HN 8 LEU QQD 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU HN 9 SER HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 107, 126, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 8 LEU QB 12 THR HB 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 111, 112,
 &end
#
# 8 LEU QB 43 GLY QA 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 111, 112,
 igr2= 692, 693,
 &end
#
# 8 LEU QB 44 PHE HA 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 111, 112,
 &end
#
# 8 LEU QB 8 LEU QQD 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 111, 112,
 igr2= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QB 9 SER HN 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 111, 112,
 &end
#
# 8 LEU QD1 12 THR HB 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 116, 117, 118,
 &end
#
# 8 LEU QD1 12 THR QG2 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 116, 117, 118,
 igr2= 184, 185, 186,
 &end
#
# 8 LEU QD1 17 LEU QD2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 116, 117, 118,
 igr2= 258, 259, 260,
 &end
#
# 8 LEU QD1 44 PHE HA 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 116, 117, 118,
 &end
#
# 8 LEU QD2 12 THR HB 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 120, 121, 122,
 &end
#
# 8 LEU QD2 12 THR QG2 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 120, 121, 122,
 igr2= 184, 185, 186,
 &end
#
# 8 LEU QD2 17 LEU QD2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 120, 121, 122,
 igr2= 258, 259, 260,
 &end
#
# 8 LEU QD2 44 PHE HA 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 120, 121, 122,
 &end
#
# 8 LEU QQD 12 THR HB 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 17 LEU QD2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 116, 117, 118, 120, 121, 122,
 igr2= 258, 259, 260,
 &end
#
# 8 LEU QQD 32 VAL HA 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 44 PHE HA 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 44 PHE HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 45 GLY HA2 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 45 GLY HA3 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 45 GLY HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 71 ILE HA 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1116, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 71 ILE HB 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 71 ILE QG2 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 116, 117, 118, 120, 121, 122,
 igr2=1120,1121,1122,
 &end
#
# 8 LEU QQD 72 ASP- HN 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 8 LEU QQD 9 SER HN 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 126, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 116, 117, 118, 120, 121, 122,
 &end
#
# 9 SER HA 10 TRP QB 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 141, 142,
 &end
#
# 9 SER HA 11 GLN HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 161, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 9 SER HA 69 LYS+ HG3 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 128,1086, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 9 SER HA 69 LYS+ QD 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1088,1089,
 &end
#
# 9 SER HB2 12 THR HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 178, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 9 SER HB2 67 ASP- HB2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 130,1059, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 SER HB2 67 ASP- HB3 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 130,1060, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 SER HB2 69 LYS+ HG3 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 130,1086, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 9 SER HB3 12 THR HN 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 178, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 9 SER HB3 67 ASP- HB2 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1059, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 SER HB3 67 ASP- HB3 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1060, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
# 9 SER HB3 69 LYS+ HG3 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1086, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 9 SER HN 69 LYS+ HB2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 126,1082, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 9 SER HN 71 ILE QG2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1120,1121,1122,
 &end
#
# 9 SER HN 9 SER HB2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 130, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 9 SER HN 9 SER HB3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 131, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 9 SER HN 9 SER QB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 126,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 130, 131,
 &end
#
# 9 SER QB 11 GLN QB 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 130, 131,
 igr2= 165, 166,
 &end
#
# 9 SER QB 12 THR HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 130, 131,
 &end
#
# 9 SER QB 67 ASP- QB 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= 130, 131,
 igr2=1059,1060,
 &end
#
# 9 SER QB 69 LYS+ HB2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1082, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 130, 131,
 &end
#
# 9 SER QB 69 LYS+ HB3 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1083, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 130, 131,
 &end
#
# 9 SER QB 69 LYS+ HG2 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 130, 131,
 &end
#
# 9 SER QB 69 LYS+ HG3 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 130, 131,
 &end
#
# 9 SER QB 69 LYS+ HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 130, 131,
 &end
#
# 10 TRP HA 10 TRP HD1 1.80 2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 10 TRP HA 10 TRP HD1 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 145, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 10 TRP HA 41 SER HB2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 659, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 10 TRP HA 41 SER HB3 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 660, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 10 TRP HA 41 SER QB 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 659, 660,
 &end
#
# 10 TRP HA 41 SER QB 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 659, 660,
 &end
#
# 10 TRP HD1 41 ARG HA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 657, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 10 TRP HD1 41 SER QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 659, 660,
 &end
#
# 10 TRP HD1 43 GLY HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 690, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 10 TRP HD1 43 GLY QA 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 692, 693,
 &end
#
# 10 TRP HN 10 TRP HD1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 10 TRP HN 10 TRP HE3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 156, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 10 TRP HN 10 TRP QB 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 141, 142,
 &end
#
# 10 TRP HN 11 GLN HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 161, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 10 TRP HN 69 LYS+ HG3 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 137,1086, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 10 TRP QB 10 TRP HE3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 141, 142,
 &end
#
# 10 TRP QB 11 GLN HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 161, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 141, 142,
 &end
#
# 10 TRP QB 41 SER QB 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= 141, 142,
 igr2= 659, 660,
 &end
#
# 11 GLN HA 10 TRP QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 141, 142,
 &end
#
# 11 GLN HA 11 GLN HG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 168, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 11 GLN HA 11 GLN HG3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 163, 169, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 11 GLN HN 11 GLN QB 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 165, 166,
 &end
#
# 11 GLN HN 11 GLN QG 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 168, 169,
 &end
#
# 11 GLN HN 12 THR HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 180, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 11 GLN HN 12 THR HB 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 182, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 11 GLN HN 12 THR HN 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 178, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 12 THR HA 12 THR QG2 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 184, 185, 186,
 &end
#
# 12 THR HA 13 THR HN 1.80 2.73
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 192, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 12 THR HA 13 THR QG2 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 198, 199, 200,
 &end
#
# 12 THR HA 32 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 503, 504, 505,
 &end
#
# 12 THR HA 66 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
# 12 THR HB 13 THR HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 192, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 12 THR HB 32 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 503, 504, 505,
 &end
#
# 12 THR HN 12 THR HB 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 182, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 12 THR HN 12 THR QG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 184, 185, 186,
 &end
#
# 12 THR HN 13 THR HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 192, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 12 THR QG2 13 THR HN 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 192, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 16 GLY HA3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 241, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 16 GLY HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 17 LEU HA 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 17 LEU HG 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 17 LEU HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 245, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 17 LEU QD1 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 184, 185, 186,
 igr2= 254, 255, 256,
 &end
#
# 12 THR QG2 17 LEU QD2 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 184, 185, 186,
 igr2= 258, 259, 260,
 &end
#
# 12 THR QG2 32 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 184, 185, 186,
 igr2= 503, 504, 505,
 &end
#
# 12 THR QG2 66 LEU HG 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 184, 185, 186,
 &end
#
# 12 THR QG2 66 LEU QD2 1.80 2.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 184, 185, 186,
 igr2=1049,1050,1051,
 &end
#
# 13 THR HA 13 THR QG2 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 198, 199, 200,
 &end
#
# 13 THR HA 14 GLN HA 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 208, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 13 THR HA 14 GLN HN 1.80 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 206, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 13 THR HA 15 GLU- HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 223, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 13 THR HA 32 VAL QG2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 503, 504, 505,
 &end
#
# 13 THR HB 14 GLN HN 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 206, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 13 THR HB 15 GLU- HN 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 223, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
# 13 THR HG1 15 GLU- HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 223, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 13 THR HG1 16 GLY HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 238, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 13 THR HN 13 THR HG1 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 202, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 13 THR HN 13 THR QG2 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 198, 199, 200,
 &end
#
# 13 THR HN 16 GLY HN 1.80 4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 238, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
# 13 THR HN 32 VAL QG2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 192,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 503, 504, 505,
 &end
#
# 13 THR QG2 14 GLN HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 198, 199, 200,
 &end
#
# 13 THR QG2 15 GLU- HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 198, 199, 200,
 &end
#
# 13 THR QG2 15 GLU- QB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 198, 199, 200,
 igr2= 227, 228,
 &end
#
# 13 THR QG2 16 GLY HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 198, 199, 200,
 &end
#
# 13 THR QG2 32 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= 198, 199, 200,
 igr2= 503, 504, 505,
 &end
#
# 14 GLN HA 14 GLN QG 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 213, 214,
 &end
#
# 14 GLN HA 16 GLY HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 238, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 14 GLN HA 17 LEU HB2 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 249, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 14 GLN HA 17 LEU HB3 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 250, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 14 GLN HA 17 LEU HG 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 252, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 14 GLN HA 17 LEU HN 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 245, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 14 GLN HA 17 LEU QD1 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 254, 255, 256,
 &end
#
# 14 GLN HA 17 LEU QD2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 258, 259, 260,
 &end
#
# 14 GLN HA 30 CYS QB 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 467, 468,
 &end
#
# 14 GLN HA 31 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLN HA 32 VAL QG2 1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 503, 504, 505,
 &end
#
# 14 GLN HB2 14 GLN HE21 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 218, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 14 GLN HB2 14 GLN HE22 1.80 4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 219, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 14 GLN HB2 14 GLN QE2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 218, 219,
 &end
#
# 14 GLN HB2 15 GLU- HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 223, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 14 GLN HB2 30 CYS QB 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 467, 468,
 &end
#
# 14 GLN HB2 31 LEU QQD 1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 14 GLN HB2 32 VAL HN 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 493, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 14 GLN HB2 32 VAL QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 503, 504, 505,
 &end
#
# 14 GLN HB3 14 GLN QE2 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 218, 219,
 &end
#
# 14 GLN HB3 15 GLU- HN 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 223, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 14 GLN HB3 30 CYS QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 467, 468,
 &end
#
# 14 GLN HB3 32 VAL HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 493, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 14 GLN HB3 32 VAL QG2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 503, 504, 505,
 &end
#
# 14 GLN HN 14 GLN HB2 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 14 GLN HN 14 GLN HB3 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 211, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 14 GLN HN 14 GLN QG 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 213, 214,
 &end
#
# 14 GLN HN 15 GLU- HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 223, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 14 GLN HN 16 GLY HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 238, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 14 GLN HN 17 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 245, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLN HN 32 VAL HB 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 497, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 14 GLN HN 32 VAL HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 14 GLN HN 32 VAL QG2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 503, 504, 505,
 &end
#
# 14 GLN QE2 31 LEU QQD 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 218, 219,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 14 GLN QE2 32 VAL HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 218, 219,
 &end
#
# 14 GLN QG 14 GLN HE21 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 14 GLN HE22 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 14 GLN QE2 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 213, 214,
 igr2= 218, 219,
 &end
#
# 14 GLN QG 15 GLU- HA 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 225, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 15 GLU- HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 31 LEU HA 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 31 LEU QQD 1.80 5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1= 213, 214,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 14 GLN QG 32 VAL HB 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 497, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 32 VAL HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 213, 214,
 &end
#
# 14 GLN QG 32 VAL QG1 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 213, 214,
 igr2= 499, 500, 501,
 &end
#
# 14 GLN QG 32 VAL QG2 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= 213, 214,
 igr2= 503, 504, 505,
 &end
#
# 15 GLU- HA 15 GLU- HG2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 230, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 15 GLU- HA 15 GLU- HG3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 231, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 15 GLU- HA 15 GLU- QG 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 230, 231,
 &end
#
# 15 GLU- HA 17 LEU HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLU- HA 18 ARG+ HD2 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 274, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 15 GLU- HA 18 ARG+ HD3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 15 GLU- HA 18 ARG+ HN 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 264, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 15 GLU- HA 18 ARG+ QB 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 225,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 268, 269,
 &end
#
# 15 GLU- HB2 16 GLY HN 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 238, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 15 GLU- HB3 16 GLY HN 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 238, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 15 GLU- HN 15 GLU- HB2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 15 GLU- HN 15 GLU- HB3 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 228, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 15 GLU- HN 15 GLU- HG2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 230, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 GLU- HN 15 GLU- HG3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 231, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 15 GLU- HN 15 GLU- QB 1.80 2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 227, 228,
 &end
#
# 15 GLU- HN 15 GLU- QG 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 230, 231,
 &end
#
# 15 GLU- HN 16 GLY HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 15 GLU- QB 16 GLY HN 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 227, 228,
 &end
#
# 15 GLU- QG 16 GLY HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 230, 231,
 &end
#
# 16 GLY HA2 19 GLU- HB2 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 292, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 16 GLY HA2 19 GLU- HB3 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 293, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 16 GLY HA2 19 GLU- HG2 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 295, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 16 GLY HA2 19 GLU- HG3 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 296, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 16 GLY HA2 19 GLU- HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 288, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 16 GLY HA2 19 GLU- QG 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 295, 296,
 &end
#
# 16 GLY HA2 20 TYR HN 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 240, 303, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 16 GLY HA2 66 LEU QD1 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2=1045,1046,1047,
 &end
#
# 16 GLY HA3 19 GLU- HB2 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 16 GLY HA3 19 GLU- HB3 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 293, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 16 GLY HA3 19 GLU- HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 288, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 16 GLY HA3 20 TYR HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 16 GLY HN 17 LEU HG 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 252, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 16 GLY HN 17 LEU HN 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 245, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 16 GLY HN 17 LEU QD2 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 258, 259, 260,
 &end
#
# 17 LEU HA 17 LEU HG 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 17 LEU HA 17 LEU QD1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 254, 255, 256,
 &end
#
# 17 LEU HA 17 LEU QD2 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 258, 259, 260,
 &end
#
# 17 LEU HA 19 GLU- HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 288, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 17 LEU HA 20 TYR HB2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 307, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 17 LEU HA 20 TYR HB3 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 308, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
# 17 LEU HA 20 TYR HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 303, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 17 LEU HA 21 PHE HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 324, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 17 LEU HA 21 PHE QD 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 332, 340,
 &end
#
# 17 LEU HA 21 PHE QE 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 334, 338,
 &end
#
# 17 LEU HA 66 LEU QD1 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1045,1046,1047,
 &end
#
# 17 LEU HA 66 LEU QD2 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1049,1050,1051,
 &end
#
# 17 LEU HB2 17 LEU QD1 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 254, 255, 256,
 &end
#
# 17 LEU HB2 18 ARG+ HN 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 264, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 17 LEU HB2 19 GLU- HN 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 288, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 17 LEU HB2 21 PHE QD 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 332, 340,
 &end
#
# 17 LEU HB2 30 CYS QB 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 467, 468,
 &end
#
# 17 LEU HB2 47 VAL QG1 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 750, 751, 752,
 &end
#
# 17 LEU HB2 47 VAL QG2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 754, 755, 756,
 &end
#
# 17 LEU HB3 17 LEU QD1 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 254, 255, 256,
 &end
#
# 17 LEU HB3 18 ARG+ HN 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 17 LEU HB3 21 PHE QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 332, 340,
 &end
#
# 17 LEU HB3 30 CYS QB 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 467, 468,
 &end
#
# 17 LEU HB3 47 VAL QG2 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 754, 755, 756,
 &end
#
# 17 LEU HG 18 ARG+ HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 264, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 17 LEU HG 30 CYS QB 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 467, 468,
 &end
#
# 17 LEU HG 31 LEU HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 17 LEU HN 17 LEU HB2 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 249, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 17 LEU HN 17 LEU HB3 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 250, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 17 LEU HN 17 LEU HG 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 252, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 17 LEU HN 17 LEU QD1 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 254, 255, 256,
 &end
#
# 17 LEU HN 17 LEU QD2 1.80 2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 258, 259, 260,
 &end
#
# 17 LEU HN 18 ARG+ HN 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 264, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 17 LEU HN 18 ARG+ QB 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 268, 269,
 &end
#
# 17 LEU HN 32 VAL QG2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 503, 504, 505,
 &end
#
# 17 LEU HN 66 LEU QD2 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 245,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1049,1050,1051,
 &end
#
# 17 LEU QD1 21 PHE QD 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 254, 255, 256,
 igr2= 332, 340,
 &end
#
# 17 LEU QD1 21 PHE QE 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= 254, 255, 256,
 igr2= 334, 338,
 &end
#
# 17 LEU QD1 30 CYS QB 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 254, 255, 256,
 igr2= 467, 468,
 &end
#
# 17 LEU QD1 31 LEU HN 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 254, 255, 256,
 &end
#
# 17 LEU QD1 45 GLY HA3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 254, 255, 256,
 &end
#
# 17 LEU QD1 46 PHE HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 254, 255, 256,
 &end
#
# 17 LEU QD1 47 VAL QG1 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1= 254, 255, 256,
 igr2= 750, 751, 752,
 &end
#
# 17 LEU QD2 20 TYR HB3 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 258, 259, 260,
 &end
#
# 17 LEU QD2 21 PHE QD 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= 258, 259, 260,
 igr2= 332, 340,
 &end
#
# 17 LEU QD2 30 CYS QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 259, 260,
 igr2= 467, 468,
 &end
#
# 17 LEU QD2 32 VAL QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 258, 259, 260,
 igr2= 503, 504, 505,
 &end
#
# 17 LEU QD2 47 VAL QG2 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 258, 259, 260,
 igr2= 754, 755, 756,
 &end
#
# 17 LEU QD2 66 LEU QD2 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 258, 259, 260,
 igr2=1049,1050,1051,
 &end
#
# 18 ARG+ HA 18 ARG+ HD2 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 274, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 18 ARG+ HA 18 ARG+ HD3 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 275, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 18 ARG+ HA 18 ARG+ HG2 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 271, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
# 18 ARG+ HA 18 ARG+ HG3 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 272, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
# 18 ARG+ HA 18 ARG+ QB 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 268, 269,
 &end
#
# 18 ARG+ HA 19 GLU- HN 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 288, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 18 ARG+ HA 20 TYR HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 303, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ARG+ HA 21 PHE HB2 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 328, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 18 ARG+ HA 21 PHE HB3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 329, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 18 ARG+ HA 21 PHE HN 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 324, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 18 ARG+ HA 22 GLY HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 344, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 18 ARG+ HA 27 VAL QG1 1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2= 416, 417, 418,
 &end
#
# 18 ARG+ HA 27 VAL QG2 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ HA 30 CYS QB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 467, 468,
 &end
#
# 18 ARG+ HA 47 VAL QG1 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 750, 751, 752,
 &end
#
# 18 ARG+ HA 47 VAL QG2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 754, 755, 756,
 &end
#
# 18 ARG+ HD2 19 GLU- HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 288, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ARG+ HD2 27 VAL QG1 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 416, 417, 418,
 &end
#
# 18 ARG+ HD2 27 VAL QG2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ HD2 30 CYS QB 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 467, 468,
 &end
#
# 18 ARG+ HD3 19 GLU- HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 290, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 18 ARG+ HD3 19 GLU- HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 288, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 18 ARG+ HD3 27 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
# 18 ARG+ HD3 27 VAL QG2 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ HG2 19 GLU- HA 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 290, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 18 ARG+ HG2 19 GLU- HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 288, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
# 18 ARG+ HG3 22 GLY QA 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 346, 347,
 &end
#
# 18 ARG+ HG3 27 VAL QG1 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 416, 417, 418,
 &end
#
# 18 ARG+ HG3 27 VAL QG2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ HG3 30 CYS QB 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 467, 468,
 &end
#
# 18 ARG+ HN 18 ARG+ HD2 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 274, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 18 ARG+ HN 18 ARG+ HD3 1.80 5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 275, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 18 ARG+ HN 18 ARG+ HG3 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 272, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 18 ARG+ HN 18 ARG+ QB 1.80 2.76
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,
 igr2= 268, 269,
 &end
#
# 18 ARG+ HN 27 VAL QG2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ HN 30 CYS QB 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 467, 468,
 &end
#
# 18 ARG+ QB 18 ARG+ HD2 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 268, 269,
 &end
#
# 18 ARG+ QB 18 ARG+ HD3 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 268, 269,
 &end
#
# 18 ARG+ QB 18 ARG+ HE 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 268, 269,
 &end
#
# 18 ARG+ QB 19 GLU- HN 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr1= 268, 269,
 &end
#
# 18 ARG+ QB 27 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= 268, 269,
 igr2= 420, 421, 422,
 &end
#
# 18 ARG+ QB 30 CYS QB 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 268, 269,
 igr2= 467, 468,
 &end
#
# 19 GLU- HA 19 GLU- HG2 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 295, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 19 GLU- HA 19 GLU- HG3 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 296, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 19 GLU- HA 22 GLY HN 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 344, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 GLU- HB2 20 TYR HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 19 GLU- HB3 20 TYR HA 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 305, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 19 GLU- HB3 20 TYR HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 303, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 19 GLU- HG2 20 TYR HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 303, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 19 GLU- HG3 20 TYR HN 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 303, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 19 GLU- HN 19 GLU- HB2 1.80 2.74
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 292, r1= 1.30, r2= 1.80, r3= 2.74, r4= 3.24,  &end
#
# 19 GLU- HN 19 GLU- HB3 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 293, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 19 GLU- HN 19 GLU- HG2 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 295, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 GLU- HN 19 GLU- HG3 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 296, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 19 GLU- HN 19 GLU- QG 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 295, 296,
 &end
#
# 19 GLU- HN 20 TYR HB3 1.80 5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 308, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
# 19 GLU- HN 20 TYR HN 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 303, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 19 GLU- QG 20 TYR HA 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 295, 296,
 &end
#
# 19 GLU- QG 20 TYR HN 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 295, 296,
 &end
#
# 20 TYR HA 20 TYR QD 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 311, 320,
 &end
#
# 20 TYR HA 20 TYR QE 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr2= 313, 318,
 &end
#
# 20 TYR HA 23 GLN HG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 358, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 20 TYR HA 23 GLN HG3 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 359, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 20 TYR HA 23 GLN QE2 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 363, 364,
 &end
#
# 20 TYR HA 23 GLN QG 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 358, 359,
 &end
#
# 20 TYR HA 66 LEU HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 TYR HA 66 LEU QD1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR HA 66 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1049,1050,1051,
 &end
#
# 20 TYR HB2 21 PHE HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 324, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 20 TYR HB2 66 LEU QD1 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR HB2 66 LEU QD2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1049,1050,1051,
 &end
#
# 20 TYR HB3 21 PHE HB2 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 328, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 20 TYR HB3 21 PHE HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 324, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 20 TYR HB3 21 PHE QD 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 332, 340,
 &end
#
# 20 TYR HB3 66 LEU QD1 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR HB3 66 LEU QD2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1049,1050,1051,
 &end
#
# 20 TYR HN 20 TYR HB2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 307, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 20 TYR HN 20 TYR HB3 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 308, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 20 TYR HN 20 TYR QD 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 311, 320,
 &end
#
# 20 TYR HN 21 PHE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 20 TYR HN 21 PHE HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 324, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 20 TYR HN 21 PHE QD 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 332, 340,
 &end
#
# 20 TYR HN 22 GLY HN 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 344, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 20 TYR HN 66 LEU QD1 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR HN 66 LEU QD2 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1049,1050,1051,
 &end
#
# 20 TYR QD 21 PHE HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 324, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 311, 320,
 &end
#
# 20 TYR QD 21 PHE QD 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= 311, 320,
 igr2= 332, 340,
 &end
#
# 20 TYR QD 21 PHE QE 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 311, 320,
 igr2= 334, 338,
 &end
#
# 20 TYR QD 66 LEU HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1040, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 311, 320,
 &end
#
# 20 TYR QD 66 LEU QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 311, 320,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR QD 66 LEU QD2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 311, 320,
 igr2=1049,1050,1051,
 &end
#
# 20 TYR QD 71 ILE QD1 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 311, 320,
 igr2=1127,1128,1129,
 &end
#
# 20 TYR QE 21 PHE QD 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 313, 318,
 igr2= 332, 340,
 &end
#
# 20 TYR QE 21 PHE QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 313, 318,
 igr2= 334, 338,
 &end
#
# 20 TYR QE 23 GLN QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 313, 318,
 igr2= 358, 359,
 &end
#
# 20 TYR QE 24 PHE HZ 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 313, 318,
 &end
#
# 20 TYR QE 24 PHE QE 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 313, 318,
 igr2= 378, 382,
 &end
#
# 20 TYR QE 64 HIS HB2 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 313, 318,
 &end
#
# 20 TYR QE 64 HIS HB3 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 313, 318,
 &end
#
# 20 TYR QE 64 HIS QB 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 313, 318,
 igr2=1008,1009,
 &end
#
# 20 TYR QE 65 GLU- HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 313, 318,
 &end
#
# 20 TYR QE 66 LEU HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1041, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 313, 318,
 &end
#
# 20 TYR QE 66 LEU QD1 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 313, 318,
 igr2=1045,1046,1047,
 &end
#
# 20 TYR QE 71 ILE QD1 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= 313, 318,
 igr2=1127,1128,1129,
 &end
#
# 21 PHE HA 21 PHE QD 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 332, 340,
 &end
#
# 21 PHE HA 23 GLN HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 351, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 21 PHE HA 24 PHE HB2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 372, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 21 PHE HA 24 PHE HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 368, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 21 PHE HA 24 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HA 24 PHE QD 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 376, 384,
 &end
#
# 21 PHE HA 24 PHE QE 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 378, 382,
 &end
#
# 21 PHE HA 27 VAL QG1 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 416, 417, 418,
 &end
#
# 21 PHE HA 49 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 786, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 21 PHE HA 58 VAL QG2 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 917, 918, 919,
 &end
#
# 21 PHE HB2 22 GLY HN 1.80 4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 344, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 21 PHE HB2 27 VAL QG1 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 416, 417, 418,
 &end
#
# 21 PHE HB2 27 VAL QG2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 420, 421, 422,
 &end
#
# 21 PHE HB2 47 VAL QG1 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 750, 751, 752,
 &end
#
# 21 PHE HB2 47 VAL QG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 754, 755, 756,
 &end
#
# 21 PHE HB2 49 PHE HZ 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 786, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 21 PHE HB2 49 PHE QE 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 784, 788,
 &end
#
# 21 PHE HB3 22 GLY HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 344, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 21 PHE HB3 27 VAL QG1 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 416, 417, 418,
 &end
#
# 21 PHE HB3 27 VAL QG2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 420, 421, 422,
 &end
#
# 21 PHE HB3 47 VAL QG1 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 750, 751, 752,
 &end
#
# 21 PHE HB3 47 VAL QG2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 754, 755, 756,
 &end
#
# 21 PHE HB3 49 PHE HZ 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 786, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 21 PHE HB3 49 PHE QD 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 782, 790,
 &end
#
# 21 PHE HB3 49 PHE QE 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 784, 788,
 &end
#
# 21 PHE HN 21 PHE HB2 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 328, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 21 PHE HN 21 PHE HB3 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 21 PHE HN 21 PHE QD 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 332, 340,
 &end
#
# 21 PHE HN 21 PHE QE 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 334, 338,
 &end
#
# 21 PHE HN 22 GLY HN 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 344, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
# 21 PHE HN 23 GLN HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 324, 351, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 21 PHE HN 27 VAL QG1 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 416, 417, 418,
 &end
#
# 21 PHE HN 66 LEU QD1 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2=1045,1046,1047,
 &end
#
# 21 PHE HN 66 LEU QD2 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1049,1050,1051,
 &end
#
# 21 PHE HZ 58 VAL QG1 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 913, 914, 915,
 &end
#
# 21 PHE HZ 71 ILE QD1 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1127,1128,1129,
 &end
#
# 21 PHE HZ 71 ILE QG2 1.80 5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1120,1121,1122,
 &end
#
# 21 PHE HZ 73 PRO HB3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 336,1153, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 21 PHE HZ 73 PRO HG2 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 336,1149, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 21 PHE HZ 73 PRO HG3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 336,1150, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 21 PHE QD 21 PHE HZ 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 22 GLY HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 24 PHE HB2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 24 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 24 PHE QD 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= 332, 340,
 igr2= 376, 384,
 &end
#
# 21 PHE QD 27 VAL QG1 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= 332, 340,
 igr2= 416, 417, 418,
 &end
#
# 21 PHE QD 47 VAL HB 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 47 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= 332, 340,
 igr2= 750, 751, 752,
 &end
#
# 21 PHE QD 47 VAL QG2 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= 332, 340,
 igr2= 754, 755, 756,
 &end
#
# 21 PHE QD 49 PHE HZ 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr1= 332, 340,
 &end
#
# 21 PHE QD 49 PHE QE 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 332, 340,
 igr2= 784, 788,
 &end
#
# 21 PHE QD 58 VAL QG1 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 332, 340,
 igr2= 913, 914, 915,
 &end
#
# 21 PHE QD 58 VAL QG2 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= 332, 340,
 igr2= 917, 918, 919,
 &end
#
# 21 PHE QD 66 LEU QD2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 332, 340,
 igr2=1049,1050,1051,
 &end
#
# 21 PHE QE 47 VAL QG2 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= 334, 338,
 igr2= 754, 755, 756,
 &end
#
# 21 PHE QE 58 VAL HA 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 334, 338,
 &end
#
# 21 PHE QE 58 VAL HB 1.80 5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 334, 338,
 &end
#
# 21 PHE QE 58 VAL QG1 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= 334, 338,
 igr2= 913, 914, 915,
 &end
#
# 21 PHE QE 58 VAL QG2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 334, 338,
 igr2= 917, 918, 919,
 &end
#
# 21 PHE QE 66 LEU QD2 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 334, 338,
 igr2=1049,1050,1051,
 &end
#
# 21 PHE QE 71 ILE QD1 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= 334, 338,
 igr2=1127,1128,1129,
 &end
#
# 21 PHE QE 73 PRO HB3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 334, 338,
 &end
#
# 21 PHE QE 73 PRO HG2 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 334, 338,
 &end
#
# 21 PHE QE 73 PRO HG3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 334, 338,
 &end
#
# 22 GLY HA2 27 VAL QG1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 346,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 416, 417, 418,
 &end
#
# 22 GLY HA3 27 VAL QG1 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 416, 417, 418,
 &end
#
# 22 GLY HN 23 GLN HN 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 351, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 22 GLY HN 24 PHE HN 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 368, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
# 22 GLY HN 27 VAL QG1 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 416, 417, 418,
 &end
#
# 22 GLY QA 25 GLY HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 346, 347,
 &end
#
# 23 GLN HA 23 GLN HG2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 358, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 23 GLN HA 23 GLN HG3 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 359, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 23 GLN HA 23 GLN QB 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 355, 356,
 &end
#
# 23 GLN HA 23 GLN QG 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 358, 359,
 &end
#
# 23 GLN HN 23 GLN HG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 358, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 23 GLN HN 23 GLN HG3 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 359, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 23 GLN HN 23 GLN QB 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 355, 356,
 &end
#
# 23 GLN HN 24 PHE HA 1.80 5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
# 23 GLN HN 24 PHE HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 368, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 23 GLN HN 24 PHE QD 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 376, 384,
 &end
#
# 23 GLN HN 25 GLY HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 388, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 23 GLN HN 27 VAL QG1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 416, 417, 418,
 &end
#
# 23 GLN QB 23 GLN HE21 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 363, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 355, 356,
 &end
#
# 23 GLN QB 23 GLN HE22 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 355, 356,
 &end
#
# 23 GLN QB 23 GLN QE2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 355, 356,
 igr2= 363, 364,
 &end
#
# 23 GLN QB 24 PHE HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 355, 356,
 &end
#
# 23 GLN QB 24 PHE HZ 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 355, 356,
 &end
#
# 23 GLN QB 24 PHE QD 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 355, 356,
 igr2= 376, 384,
 &end
#
# 23 GLN QG 23 GLN QE2 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 358, 359,
 igr2= 363, 364,
 &end
#
# 23 GLN QG 24 PHE HN 1.80 4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 358, 359,
 &end
#
# 23 GLN QG 24 PHE 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= 358, 359,
 igr2= 376, 384,
 &end
#
# 24 PHE HA 24 PHE QD 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 376, 384,
 &end
#
# 24 PHE HA 25 GLY HA2 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 390, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24 PHE HA 25 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 24 PHE HA 57 LYS+ QB 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 889, 890,
 &end
#
# 24 PHE HA 57 LYS+ QD 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 895, 896,
 &end
#
# 24 PHE HA 57 LYS+ QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 898, 899,
 &end
#
# 24 PHE HA 58 VAL QG2 1.80 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 917, 918, 919,
 &end
#
# 24 PHE HB2 25 GLY HN 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 388, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 24 PHE HB2 49 PHE HZ 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 786, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 24 PHE HB2 49 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 782, 790,
 &end
#
# 24 PHE HB2 49 PHE QE 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 784, 788,
 &end
#
# 24 PHE HB2 57 LYS+ QB 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 889, 890,
 &end
#
# 24 PHE HB2 58 VAL QG2 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 917, 918, 919,
 &end
#
# 24 PHE HB3 25 GLY HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 388, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 24 PHE HB3 49 PHE QE 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 784, 788,
 &end
#
# 24 PHE HB3 57 LYS+ QB 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 889, 890,
 &end
#
# 24 PHE HB3 57 LYS+ QD 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 895, 896,
 &end
#
# 24 PHE HB3 58 VAL HN 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 907, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
# 24 PHE HB3 58 VAL QG2 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 917, 918, 919,
 &end
#
# 24 PHE HN 24 PHE HB2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 372, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 24 PHE HN 24 PHE HB3 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 24 PHE HN 24 PHE QD 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 376, 384,
 &end
#
# 24 PHE HN 25 GLY HN 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 388, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 24 PHE HN 49 PHE QE 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 784, 788,
 &end
#
# 24 PHE HZ 58 VAL HA 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 909, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
# 24 PHE HZ 58 VAL QG2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 917, 918, 919,
 &end
#
# 24 PHE HZ 61 GLN QB 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 956, 957,
 &end
#
# 24 PHE HZ 61 GLN QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 959, 960,
 &end
#
# 24 PHE HZ 64 HIS HE1 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 380,1014, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 24 PHE QD 57 LYS+ HA 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 376, 384,
 &end
#
# 24 PHE QD 57 LYS+ HG2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 376, 384,
 &end
#
# 24 PHE QD 57 LYS+ HG3 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 376, 384,
 &end
#
# 24 PHE QD 57 LYS+ QB 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 376, 384,
 igr2= 889, 890,
 &end
#
# 24 PHE QD 57 LYS+ QD 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 376, 384,
 igr2= 895, 896,
 &end
#
# 24 PHE QD 57 LYS+ QE 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= 376, 384,
 igr2= 898, 899,
 &end
#
# 24 PHE QD 58 VAL HA 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 376, 384,
 &end
#
# 24 PHE QD 58 VAL QG2 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 376, 384,
 igr2= 917, 918, 919,
 &end
#
# 24 PHE QE 57 LYS+ QB 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 378, 382,
 igr2= 889, 890,
 &end
#
# 24 PHE QE 58 VAL HA 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 378, 382,
 &end
#
# 24 PHE QE 58 VAL QG1 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 378, 382,
 igr2= 913, 914, 915,
 &end
#
# 24 PHE QE 61 GLN QB 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 378, 382,
 igr2= 956, 957,
 &end
#
# 24 PHE QE 61 GLN QG 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 382,
 igr2= 959, 960,
 &end
#
# 25 GLY HA2 26 GLU- HA 1.80 5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 397, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
# 25 GLY HA2 26 GLU- HN 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 395, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
# 25 GLY HA2 49 PHE QD 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 782, 790,
 &end
#
# 25 GLY HA2 54 GLY HA2 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 852, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 25 GLY HA3 26 GLU- HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 25 GLY HA3 26 GLU- HN 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 395, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 25 GLY HA3 49 PHE QD 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 782, 790,
 &end
#
# 25 GLY HA3 49 PHE QE 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 784, 788,
 &end
#
# 25 GLY HA3 53 ALA QB 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 844, 845, 846,
 &end
#
# 25 GLY HA3 54 GLY HA2 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 852, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 25 GLY HA3 54 GLY HA3 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 853, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 25 GLY HN 26 GLU- HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 395, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 25 GLY HN 27 VAL QG1 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 416, 417, 418,
 &end
#
# 25 GLY HN 49 PHE QE 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 784, 788,
 &end
#
# 26 GLU- HA 26 GLU- HG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 402, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 GLU- HA 26 GLU- HG3 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 403, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 26 GLU- HA 26 GLU- QG 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 402, 403,
 &end
#
# 26 GLU- HA 27 VAL HA 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 412, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 26 GLU- HA 27 VAL HN 1.80 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 410, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 26 GLU- HA 27 VAL QG1 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 416, 417, 418,
 &end
#
# 26 GLU- HA 27 VAL QG2 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 420, 421, 422,
 &end
#
# 26 GLU- HB2 27 VAL HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 410, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 26 GLU- HB2 50 MET HG3 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 802, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 26 GLU- HB3 27 VAL HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 26 GLU- HB3 50 MET HG3 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 802, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
# 26 GLU- HG2 27 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 26 GLU- HG3 27 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 403, 410, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 26 GLU- HN 26 GLU- HB2 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 399, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 26 GLU- HN 26 GLU- HB3 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 400, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 26 GLU- HN 26 GLU- HG2 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 402, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 26 GLU- HN 26 GLU- HG3 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 403, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 26 GLU- HN 27 VAL HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 410, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 26 GLU- HN 49 PHE QD 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr2= 782, 790,
 &end
#
# 26 GLU- QB 26 GLU- QG 1.80 2.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1= 399, 400,
 igr2= 402, 403,
 &end
#
# 26 GLU- QB 27 VAL HN 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 399, 400,
 &end
#
# 26 GLU- QB 50 MET HG3 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 399, 400,
 &end
#
# 26 GLU- QG 27 VAL HA 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 402, 403,
 &end
#
# 26 GLU- QG 27 VAL HN 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 410, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 402, 403,
 &end
#
# 26 GLU- QG 50 MET HG3 1.80 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr1= 402, 403,
 &end
#
# 27 VAL HA 27 VAL QG1 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 416, 417, 418,
 &end
#
# 27 VAL HA 27 VAL QG2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 420, 421, 422,
 &end
#
# 27 VAL HA 28 LYS+ HN 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 426, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 27 VAL HA 29 GLU- HN 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 448, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
# 27 VAL HA 47 VAL QG1 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 750, 751, 752,
 &end
#
# 27 VAL HA 49 PHE HA 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 776, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27 VAL HA 49 PHE QD 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 782, 790,
 &end
#
# 27 VAL HA 50 MET HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 794, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 27 VAL HB 28 LYS+ HN 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 426, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 27 VAL HB 29 GLU- HN 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 448, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 27 VAL HB 47 VAL QG1 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 750, 751, 752,
 &end
#
# 27 VAL HB 49 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 782, 790,
 &end
#
# 27 VAL HB 49 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 414,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 784, 788,
 &end
#
# 27 VAL HN 27 VAL HB 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 414, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 27 VAL HN 27 VAL QG1 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 416, 417, 418,
 &end
#
# 27 VAL HN 27 VAL QG2 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 410,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 420, 421, 422,
 &end
#
# 27 VAL QG1 30 CYS QB 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= 416, 417, 418,
 igr2= 467, 468,
 &end
#
# 27 VAL QG1 47 VAL QG1 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 416, 417, 418,
 igr2= 750, 751, 752,
 &end
#
# 27 VAL QG1 47 VAL QG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 416, 417, 418,
 igr2= 754, 755, 756,
 &end
#
# 27 VAL QG1 49 PHE HZ 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 416, 417, 418,
 &end
#
# 27 VAL QG1 49 PHE QD 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 416, 417, 418,
 igr2= 782, 790,
 &end
#
# 27 VAL QG1 49 PHE QE 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 416, 417, 418,
 igr2= 784, 788,
 &end
#
# 27 VAL QG2 28 LYS+ HA 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 28 LYS+ HN 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 29 GLU- HA 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 450, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 29 GLU- HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 30 CYS HA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 30 CYS QB 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= 420, 421, 422,
 igr2= 467, 468,
 &end
#
# 27 VAL QG2 47 VAL HA 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 47 VAL QG1 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= 420, 421, 422,
 igr2= 750, 751, 752,
 &end
#
# 27 VAL QG2 48 THR HN 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 420, 421, 422,
 &end
#
# 27 VAL QG2 49 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 420, 421, 422,
 igr2= 782, 790,
 &end
#
# 28 LYS+ HA 28 LYS+ HE2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 LYS+ HA 28 LYS+ HE3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 28 LYS+ HA 28 LYS+ HG2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 28 LYS+ HA 28 LYS+ HG3 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 434, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 28 LYS+ HA 28 LYS+ QG 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 433, 434,
 &end
#
# 28 LYS+ HA 50 MET QE 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 805, 806, 807,
 &end
#
# 28 LYS+ HB2 29 GLU- HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 448, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 28 LYS+ HB2 48 THR HB 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 764, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 28 LYS+ HB2 48 THR QG2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 430,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 766, 767, 768,
 &end
#
# 28 LYS+ HB3 29 GLU- HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 448, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 28 LYS+ HB3 48 THR HB 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 764, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 28 LYS+ HB3 48 THR QG2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 431,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 766, 767, 768,
 &end
#
# 28 LYS+ HG2 48 THR HB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 764, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 28 LYS+ HG3 48 THR HB 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 764, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 28 LYS+ HN 28 LYS+ HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 430, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 28 LYS+ HN 28 LYS+ HB3 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 431, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 28 LYS+ HN 28 LYS+ QB 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 430, 431,
 &end
#
# 28 LYS+ HN 28 LYS+ QG 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 426,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 433, 434,
 &end
#
# 28 LYS+ HN 29 GLU- HN 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 448, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
# 28 LYS+ HN 48 THR HB 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 764, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 28 LYS+ HN 49 PHE HA 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 776, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 28 LYS+ HN 50 MET HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 794, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 28 LYS+ QB 28 LYS+ QE 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 430, 431,
 igr2= 439, 440,
 &end
#
# 28 LYS+ QB 29 GLU- HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 430, 431,
 &end
#
# 28 LYS+ QB 48 THR HB 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 430, 431,
 &end
#
# 28 LYS+ QD 48 THR HB 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 436, 437,
 &end
#
# 28 LYS+ QD 48 THR QG2 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= 436, 437,
 igr2= 766, 767, 768,
 &end
#
# 28 LYS+ QE 48 THR QG2 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 439, 440,
 igr2= 766, 767, 768,
 &end
#
# 28 LYS+ QE 50 MET QE 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= 439, 440,
 igr2= 805, 806, 807,
 &end
#
# 28 LYS+ QG 28 LYS+ QE 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 433, 434,
 igr2= 439, 440,
 &end
#
# 28 LYS+ QG 29 GLU- QB 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 433, 434,
 igr2= 452, 453,
 &end
#
# 29 GLU- HA 29 GLU- HG2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 455, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 29 GLU- HA 29 GLU- HG3 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 456, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 29 GLU- HA 29 GLU- QG 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 455, 456,
 &end
#
# 29 GLU- HA 30 CYS HN 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 463, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 29 GLU- HG2 30 CYS HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 463, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 29 GLU- HG2 31 LEU HG 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 455, 481, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 29 GLU- HG2 31 LEU QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 483, 484, 485,
 &end
#
# 29 GLU- HG2 31 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 487, 488, 489,
 &end
#
# 29 GLU- HG3 30 CYS HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 463, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 29 GLU- HG3 31 LEU HG 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 481, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 29 GLU- HG3 31 LEU QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 483, 484, 485,
 &end
#
# 29 GLU- HG3 31 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 487, 488, 489,
 &end
#
# 29 GLU- HN 29 GLU- HG2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 455, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 29 GLU- HN 29 GLU- HG3 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 456, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
# 29 GLU- HN 29 GLU- QB 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 452, 453,
 &end
#
# 29 GLU- HN 29 GLU- QG 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 455, 456,
 &end
#
# 29 GLU- HN 48 THR HB 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 764, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 29 GLU- HN 48 THR HN 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 760, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 29 GLU- HN 48 THR QG2 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 766, 767, 768,
 &end
#
# 29 GLU- QB 30 CYS HA 1.80 5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 452, 453,
 &end
#
# 29 GLU- QB 31 LEU QQD 1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.23, r4= 8.73,
 igr1= 452, 453,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 29 GLU- QB 48 THR HB 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 452, 453,
 &end
#
# 29 GLU- QB 48 THR HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 452, 453,
 &end
#
# 29 GLU- QB 48 THR QG2 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 452, 453,
 igr2= 766, 767, 768,
 &end
#
# 29 GLU- QG 30 CYS HA 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 455, 456,
 &end
#
# 29 GLU- QG 30 CYS HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 463, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 455, 456,
 &end
#
# 29 GLU- QG 31 LEU QQD 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 455, 456,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 29 GLU- QG 48 THR HB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 455, 456,
 &end
#
# 30 CYS HA 31 LEU HG 1.80 5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 481, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
# 30 CYS HA 31 LEU HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 474, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 30 CYS HA 31 LEU QB 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 478, 479,
 &end
#
# 30 CYS HA 31 LEU QD1 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 483, 484, 485,
 &end
#
# 30 CYS HA 31 LEU QD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 487, 488, 489,
 &end
#
# 30 CYS HA 46 PHE HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 724, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 30 CYS HA 47 VAL HA 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 746, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 30 CYS HA 47 VAL HB 1.80 5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 748, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
# 30 CYS HA 47 VAL QG1 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 750, 751, 752,
 &end
#
# 30 CYS HA 47 VAL QG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 754, 755, 756,
 &end
#
# 30 CYS HA 48 THR HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 760, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 30 CYS QB 31 LEU HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 467, 468,
 &end
#
# 30 CYS QB 47 VAL HA 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 467, 468,
 &end
#
# 30 CYS QB 47 VAL QG1 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 467, 468,
 igr2= 750, 751, 752,
 &end
#
# 30 CYS QB 47 VAL QG2 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 467, 468,
 igr2= 754, 755, 756,
 &end
#
# 31 LEU HA 31 LEU HG 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 481, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 31 LEU HA 31 LEU QQD 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU HA 32 VAL HN 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 493, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 31 LEU HG 32 VAL HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 493, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 31 LEU HG 46 PHE HB2 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 728, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 31 LEU HN 31 LEU HG 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 481, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 31 LEU HN 31 LEU QB 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 478, 479,
 &end
#
# 31 LEU HN 31 LEU QD1 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 483, 484, 485,
 &end
#
# 31 LEU HN 31 LEU QD2 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 487, 488, 489,
 &end
#
# 31 LEU HN 31 LEU QQD 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU HN 32 VAL HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 495, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 31 LEU HN 32 VAL HN 1.80 4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 493, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 31 LEU HN 46 PHE HB2 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 728, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 31 LEU HN 46 PHE HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 724, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 31 LEU HN 46 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 732, 740,
 &end
#
# 31 LEU HN 47 VAL HA 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 474, 746, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 31 LEU HN 47 VAL QG2 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 754, 755, 756,
 &end
#
# 31 LEU QB 31 LEU QD1 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 478, 479,
 igr2= 483, 484, 485,
 &end
#
# 31 LEU QB 31 LEU QD2 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 478, 479,
 igr2= 487, 488, 489,
 &end
#
# 31 LEU QB 31 LEU QQD 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 478, 479,
 igr2= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QB 32 VAL HN 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 45 GLY HA2 1.80 4.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 45 GLY HA3 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 46 PHE HA 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 46 PHE HB2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 46 PHE HB3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 46 PHE HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 478, 479,
 &end
#
# 31 LEU QB 46 PHE QD 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 478, 479,
 igr2= 732, 740,
 &end
#
# 31 LEU QD1 32 VAL HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 483, 484, 485,
 &end
#
# 31 LEU QD1 33 MET HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 483, 484, 485,
 &end
#
# 31 LEU QD1 33 MET QE 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 483, 484, 485,
 igr2= 520, 521, 522,
 &end
#
# 31 LEU QD1 46 PHE HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 483, 484, 485,
 &end
#
# 31 LEU QD1 46 PHE QD 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 483, 484, 485,
 igr2= 732, 740,
 &end
#
# 31 LEU QD2 32 VAL HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 487, 488, 489,
 &end
#
# 31 LEU QD2 33 MET HG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 487, 488, 489,
 &end
#
# 31 LEU QD2 33 MET QE 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 487, 488, 489,
 igr2= 520, 521, 522,
 &end
#
# 31 LEU QD2 46 PHE HB2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 487, 488, 489,
 &end
#
# 31 LEU QD2 46 PHE QD 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 487, 488, 489,
 igr2= 732, 740,
 &end
#
# 31 LEU QQD 32 VAL HN 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QQD 33 MET HG2 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 516, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QQD 33 MET QE 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 483, 484, 485, 487, 488, 489,
 igr2= 520, 521, 522,
 &end
#
# 31 LEU QQD 46 PHE HB2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 728, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QQD 46 PHE HB3 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QQD 46 PHE HN 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 483, 484, 485, 487, 488, 489,
 &end
#
# 31 LEU QQD 46 PHE QD 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 483, 484, 485, 487, 488, 489,
 igr2= 732, 740,
 &end
#
# 32 VAL HA 32 VAL QG1 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 499, 500, 501,
 &end
#
# 32 VAL HA 32 VAL QG2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 503, 504, 505,
 &end
#
# 32 VAL HA 33 MET HB2 1.80 5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 513, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
# 32 VAL HA 33 MET HN 1.80 3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 509, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 32 VAL HA 46 PHE HN 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 724, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
# 32 VAL HA 46 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 732, 740,
 &end
#
# 32 VAL HN 32 VAL HB 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 497, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 32 VAL HN 32 VAL QG1 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 499, 500, 501,
 &end
#
# 32 VAL HN 32 VAL QG2 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 503, 504, 505,
 &end
#
# 32 VAL QG1 33 MET HN 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 34 ARG+ HG2 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 34 ARG+ HG3 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 34 ARG+ QB 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 499, 500, 501,
 igr2= 530, 531,
 &end
#
# 32 VAL QG1 34 ARG+ QG 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 499, 500, 501,
 igr2= 533, 534,
 &end
#
# 32 VAL QG1 41 SER HB2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 659, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 41 SER HB3 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 660, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 41 SER HG 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 41 SER QB 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= 499, 500, 501,
 igr2= 659, 660,
 &end
#
# 32 VAL QG1 42 ARG+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 43 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 44 PHE HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG1 46 PHE HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 499, 500, 501,
 &end
#
# 32 VAL QG2 33 MET HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 503, 504, 505,
 &end
#
# 32 VAL QG2 41 SER QB 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= 503, 504, 505,
 igr2= 659, 660,
 &end
#
# 32 VAL QG2 45 GLY HA2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 503, 504, 505,
 &end
#
# 32 VAL QG2 45 GLY HA3 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 503, 504, 505,
 &end
#
# 32 VAL QG2 46 PHE HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 503, 504, 505,
 &end
#
# 33 MET HA 33 MET QE 1.80 3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 520, 521, 522,
 &end
#
# 33 MET HA 34 ARG+ HN 1.80 3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 526, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 33 MET HB2 33 MET QE 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 520, 521, 522,
 &end
#
# 33 MET HB2 34 ARG+ HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 526, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 33 MET HB2 42 ARG+ QB 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 670, 671,
 &end
#
# 33 MET HB2 44 PHE HZ 1.80 5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 709, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 33 MET HB2 44 PHE QE 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 707, 711,
 &end
#
# 33 MET HB2 45 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 MET HB3 33 MET QE 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 520, 521, 522,
 &end
#
# 33 MET HB3 44 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 709, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 MET HB3 44 PHE QE 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 514,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 707, 711,
 &end
#
# 33 MET HG2 44 PHE HZ 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 709, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 33 MET HG2 44 PHE QE 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 707, 711,
 &end
#
# 33 MET HG2 45 GLY HA2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 719, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 33 MET HG2 45 GLY HA3 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 720, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 33 MET HG2 46 PHE HN 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 724, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
# 33 MET HG2 46 PHE QD 1.80 4.68
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 732, 740,
 &end
#
# 33 MET HG2 46 PHE QE 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 734, 738,
 &end
#
# 33 MET HG3 33 MET QE 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 520, 521, 522,
 &end
#
# 33 MET HG3 44 PHE HZ 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 709, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 33 MET HG3 44 PHE QE 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 707, 711,
 &end
#
# 33 MET HG3 45 GLY HA2 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 719, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 33 MET HG3 45 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 517, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 33 MET HG3 46 PHE QD 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 732, 740,
 &end
#
# 33 MET HG3 46 PHE QE 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 734, 738,
 &end
#
# 33 MET HN 33 MET HB2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 513, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 33 MET HN 33 MET HG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 516, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 33 MET HN 33 MET HG3 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 517, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 33 MET HN 33 MET QE 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 520, 521, 522,
 &end
#
# 33 MET HN 45 GLY HA3 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 720, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 33 MET QE 34 ARG+ HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 520, 521, 522,
 &end
#
# 33 MET QE 44 PHE HZ 1.80 5.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 520, 521, 522,
 &end
#
# 33 MET QE 44 PHE QE 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,
 igr1= 520, 521, 522,
 igr2= 707, 711,
 &end
#
# 33 MET QE 46 PHE QD 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 520, 521, 522,
 igr2= 732, 740,
 &end
#
# 33 MET QE 46 PHE QE 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 520, 521, 522,
 igr2= 734, 738,
 &end
#
# 34 ARG+ HD2 35 ASP- HN 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 550, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
# 34 ARG+ HD2 39 LYS+ HA 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 611, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 34 ARG+ HD2 39 LYS+ QB 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 613, 614,
 &end
#
# 34 ARG+ HD2 41 SER QB 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 659, 660,
 &end
#
# 34 ARG+ HD3 41 SER QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 537,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 659, 660,
 &end
#
# 34 ARG+ HN 34 ARG+ QG 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 533, 534,
 &end
#
# 34 ARG+ HN 35 ASP- HN 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 550, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 34 ARG+ QB 34 ARG+ HD2 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 536, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1= 530, 531,
 &end
#
# 34 ARG+ QB 34 ARG+ HD3 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 537, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 530, 531,
 &end
#
# 34 ARG+ QB 35 ASP- HN 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 530, 531,
 &end
#
# 34 ARG+ QB 39 LYS+ HA 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 530, 531,
 &end
#
# 34 ARG+ QB 41 SER QB 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 530, 531,
 igr2= 659, 660,
 &end
#
# 34 ARG+ QG 35 ASP- HN 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 533, 534,
 &end
#
# 34 ARG+ QG 39 LYS+ HA 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 533, 534,
 &end
#
# 35 ASP- HA 36 PRO HD2 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 563, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 35 ASP- HA 36 PRO HD3 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 564, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 35 ASP- HA 36 PRO HG3 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 567, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 35 ASP- HB2 38 THR HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 595, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 35 ASP- HB2 38 THR QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 554,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
# 35 ASP- HB2 39 LYS+ HN 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 609, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 35 ASP- HB2 40 ARG+ HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 631, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 35 ASP- HB3 38 THR HN 1.80 4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 595, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 35 ASP- HB3 38 THR QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 601, 602, 603,
 &end
#
# 35 ASP- HB3 39 LYS+ HN 1.80 5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 609, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
# 35 ASP- HB3 40 ARG+ HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 631, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 35 ASP- HN 35 ASP- HB2 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 554, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 35 ASP- HN 35 ASP- HB3 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 555, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 35 ASP- HN 35 ASP- QB 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 554, 555,
 &end
#
# 35 ASP- HN 36 PRO QD 1.80 5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 563, 564,
 &end
#
# 35 ASP- HN 38 THR HN 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 595, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 35 ASP- HN 39 LYS+ HA 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 611, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 35 ASP- HN 39 LYS+ HN 1.80 5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 609, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 35 ASP- HN 40 ARG+ HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 35 ASP- HN 40 ARG+ HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 631, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 35 ASP- QB 36 PRO QD 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= 554, 555,
 igr2= 563, 564,
 &end
#
# 35 ASP- QB 37 LEU HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 554, 555,
 &end
#
# 35 ASP- QB 38 THR HN 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 554, 555,
 &end
#
# 35 ASP- QB 38 THR QG2 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 554, 555,
 igr2= 601, 602, 603,
 &end
#
# 35 ASP- QB 40 ARG+ HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 554, 555,
 &end
#
# 35 ASP- QB 40 ARG+ QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 554, 555,
 igr2= 635, 636,
 &end
#
# 36 PRO HA 39 LYS+ HA 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 611, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 36 PRO HA 39 LYS+ HN 1.80 4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 609, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 36 PRO HA 39 LYS+ QD 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 619, 620,
 &end
#
# 36 PRO HB2 37 LEU HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 576, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 36 PRO HB2 37 LEU QQD 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 585, 586, 587, 589, 590, 591,
 &end
#
# 36 PRO HB3 37 LEU HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 570, 576, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 36 PRO HG2 37 LEU HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 576, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 36 PRO HG2 37 LEU QQD 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2= 585, 586, 587, 589, 590, 591,
 &end
#
# 36 PRO HG3 37 LEU HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 576, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 36 PRO QD 37 LEU HN 1.80 3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 563, 564,
 &end
#
# 37 LEU HA 37 LEU HG 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 583, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 37 LEU HA 37 LEU QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 585, 586, 587,
 &end
#
# 37 LEU HA 37 LEU QD2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 589, 590, 591,
 &end
#
# 37 LEU HA 37 LEU QQD 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 585, 586, 587, 589, 590, 591,
 &end
#
# 37 LEU HB2 37 LEU QD1 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 585, 586, 587,
 &end
#
# 37 LEU HB2 37 LEU QD2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 589, 590, 591,
 &end
#
# 37 LEU HB2 38 THR HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 580, 595, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 37 LEU HB2 38 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 601, 602, 603,
 &end
#
# 37 LEU HB3 37 LEU QD1 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 585, 586, 587,
 &end
#
# 37 LEU HB3 37 LEU QD2 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 589, 590, 591,
 &end
#
# 37 LEU HB3 38 THR HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 581, 595, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 37 LEU HB3 38 THR QG2 1.80 3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 581,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 601, 602, 603,
 &end
#
# 37 LEU HN 37 LEU HB2 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 580, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 LEU HN 37 LEU HB3 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 581, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
# 37 LEU HN 37 LEU HG 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 583, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 37 LEU HN 37 LEU QB 1.80 2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 580, 581,
 &end
#
# 37 LEU HN 37 LEU QD1 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 585, 586, 587,
 &end
#
# 37 LEU HN 37 LEU QD2 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 589, 590, 591,
 &end
#
# 37 LEU HN 38 THR HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 595, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 37 LEU HN 38 THR QG2 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 601, 602, 603,
 &end
#
# 37 LEU HN 39 LYS+ HN 1.80 4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 609, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 37 LEU QB 37 LEU QQD 1.80 2.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 580, 581,
 igr2= 585, 586, 587, 589, 590, 591,
 &end
#
# 37 LEU QB 38 THR HB 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 599, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 580, 581,
 &end
#
# 38 THR HA 38 THR QG2 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 601, 602, 603,
 &end
#
# 38 THR HB 39 LYS+ QD 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 619, 620,
 &end
#
# 38 THR HB 40 ARG+ HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 631, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 38 THR HB 40 ARG+ QB 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 635, 636,
 &end
#
# 38 THR HB 40 ARG+ QG 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 638, 639,
 &end
#
# 38 THR HN 38 THR HB 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 38 THR HN 38 THR QG2 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 601, 602, 603,
 &end
#
# 38 THR HN 39 LYS+ HA 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 38 THR HN 40 ARG+ HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 631, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 38 THR QG2 39 LYS+ HN 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 601, 602, 603,
 &end
#
# 38 THR QG2 40 ARG+ HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 601, 602, 603,
 &end
#
# 39 LYS+ HA 39 LYS+ HD2 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 619, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 39 LYS+ HA 39 LYS+ HD3 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 620, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
# 39 LYS+ HA 39 LYS+ HG2 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 39 LYS+ HA 39 LYS+ HG3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 617, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 39 LYS+ HA 39 LYS+ QD 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 619, 620,
 &end
#
# 39 LYS+ HA 39 LYS+ QE 1.80 5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 622, 623,
 &end
#
# 39 LYS+ HA 39 LYS+ QG 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 616, 617,
 &end
#
# 39 LYS+ HG2 39 LYS+ QE 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 622, 623,
 &end
#
# 39 LYS+ HG3 39 LYS+ QE 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 622, 623,
 &end
#
# 39 LYS+ HN 39 LYS+ HG2 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 616, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 39 LYS+ HN 39 LYS+ HG3 1.80 4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 617, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 39 LYS+ HN 39 LYS+ QD 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 619, 620,
 &end
#
# 39 LYS+ HN 39 LYS+ QE 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 622, 623,
 &end
#
# 39 LYS+ HN 39 LYS+ QG 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 616, 617,
 &end
#
# 39 LYS+ HN 40 ARG+ HN 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 631, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 40 ARG+ HA 40 ARG+ QG 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 638, 639,
 &end
#
# 40 ARG+ HA 41 SER HN 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 655, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 40 ARG+ HA 41 SER QB 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 659, 660,
 &end
#
# 40 ARG+ HA 42 ARG+ HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 666, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 40 ARG+ HN 40 ARG+ QB 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 635, 636,
 &end
#
# 40 ARG+ HN 40 ARG+ QG 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 638, 639,
 &end
#
# 40 ARG+ QB 40 ARG+ HD2 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 635, 636,
 &end
#
# 40 ARG+ QB 40 ARG+ HD3 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 642, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 635, 636,
 &end
#
# 40 ARG+ QB 41 SER HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 635, 636,
 &end
#
# 40 ARG+ QB 42 ARG+ HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 635, 636,
 &end
#
# 40 ARG+ QB 42 ARG+ QG 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 635, 636,
 igr2= 673, 674,
 &end
#
# 40 ARG+ QG 41 SER HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 638, 639,
 &end
#
# 41 SER HG 43 GLY HN 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 662, 690, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 41 SER HN 41 SER HB2 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 659, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 41 SER HN 41 SER HB3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 660, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 41 SER HN 41 SER HG 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 662, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 41 SER QB 43 GLY HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 659, 660,
 &end
#
# 42 ARG+ HA 42 ARG+ QG 1.80 3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 673, 674,
 &end
#
# 42 ARG+ HA 43 GLY QA 1.80 4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 692, 693,
 &end
#
# 42 ARG+ HA 44 PHE HN 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 697, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 42 ARG+ HB2 42 ARG+ HE 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 670, 679, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 42 ARG+ HB2 44 PHE QE 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 670,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 707, 711,
 &end
#
# 42 ARG+ HB3 42 ARG+ HE 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 671, 679, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
# 42 ARG+ HB3 44 PHE QE 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 707, 711,
 &end
#
# 42 ARG+ HD2 44 PHE QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 676,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 707, 711,
 &end
#
# 42 ARG+ HD3 44 PHE QE 1.80 4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 707, 711,
 &end
#
# 42 ARG HE 33 MET QB 4.50 100
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 4.00, r2= 4.50, r3=112.25, r4=112.75,
 igr2= 513, 514,
 &end
#
# 42 ARG+ HE 44 PHE QE 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 707, 711,
 &end
#
# 42 ARG+ HN 42 ARG+ HG2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 673, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 42 ARG+ HN 42 ARG+ HG3 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 674, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 42 ARG+ HN 42 ARG+ QB 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 670, 671,
 &end
#
# 42 ARG+ HN 42 ARG+ QG 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 673, 674,
 &end
#
# 42 ARG+ HN 43 GLY HN 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 690, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 42 ARG+ HN 44 PHE HN 1.80 5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 697, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 42 ARG+ QB 42 ARG+ HE 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 670, 671,
 &end
#
# 42 ARG+ QB 44 PHE HN 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 670, 671,
 &end
#
# 42 ARG+ QB 44 PHE HZ 1.80 5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 670, 671,
 &end
#
# 42 ARG+ QG 44 PHE QE 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 673, 674,
 igr2= 707, 711,
 &end
#
# 43 GLY HN 44 PHE HN 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 690, 697, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 44 PHE HB2 45 GLY HA3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 720, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 44 PHE HB2 45 GLY HN 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 717, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 44 PHE HB3 45 GLY HN 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 702, 717, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 44 PHE HZ 33 MET QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 520, 521, 522,
 &end
#
# 44 PHE HZ 46 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 732, 740,
 &end
#
# 44 PHE HZ 46 PHE QE 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 734, 738,
 &end
#
# 44 PHE QE 33 MET QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 707, 711,
 igr2= 520, 521, 522,
 &end
#
# 44 PHE QE 45 GLY HA2 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 707, 711,
 &end
#
# 44 PHE QE 46 PHE HZ 1.80 4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 707, 711,
 &end
#
# 44 PHE QE 46 PHE QD 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 707, 711,
 igr2= 732, 740,
 &end
#
# 44 PHE QE 46 PHE QE 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 707, 711,
 igr2= 734, 738,
 &end
#
# 45 GLY HA3 46 PHE HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 726, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 45 GLY HA3 46 PHE HN 1.80 3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 720, 724, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 45 GLY HA3 46 PHE QD 1.80 5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 732, 740,
 &end
#
# 46 PHE HA 46 PHE QD 1.80 3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 732, 740,
 &end
#
# 46 PHE HA 47 VAL HB 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 748, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 46 PHE HA 47 VAL HN 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 744, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 46 PHE HA 47 VAL QG2 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 754, 755, 756,
 &end
#
# 46 PHE HB2 47 VAL HN 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 744, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 46 PHE HB3 47 VAL HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 744, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 46 PHE HN 46 PHE HB2 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 728, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 46 PHE HN 46 PHE QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 732, 740,
 &end
#
# 46 PHE HN 47 VAL QG2 1.80 4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 724,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 754, 755, 756,
 &end
#
# 46 PHE HZ 76 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1201,1202,1203,
 &end
#
# 46 PHE QD 47 VAL HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 732, 740,
 &end
#
# 46 PHE QD 76 ALA QB 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 732, 740,
 igr2=1201,1202,1203,
 &end
#
# 46 PHE QE 76 ALA QB 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= 734, 738,
 igr2=1201,1202,1203,
 &end
#
# 47 VAL HA 47 VAL QG1 1.80 3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 750, 751, 752,
 &end
#
# 47 VAL HA 47 VAL QG2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 754, 755, 756,
 &end
#
# 47 VAL HA 48 THR HB 1.80 4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 764, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 47 VAL HA 48 THR HN 1.80 2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 746, 760, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 47 VAL HB 48 THR HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 748, 760, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 47 VAL HB 49 PHE QD 1.80 5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 782, 790,
 &end
#
# 47 VAL HB 49 PHE QE 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 784, 788,
 &end
#
# 47 VAL HN 47 VAL HB 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 748, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 47 VAL HN 47 VAL QG1 1.80 4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 750, 751, 752,
 &end
#
# 47 VAL HN 47 VAL QG2 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 754, 755, 756,
 &end
#
# 47 VAL QG1 48 THR HN 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 750, 751, 752,
 &end
#
# 47 VAL QG1 49 PHE HN 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 750, 751, 752,
 &end
#
# 47 VAL QG1 49 PHE HZ 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 750, 751, 752,
 &end
#
# 47 VAL QG1 49 PHE QD 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= 750, 751, 752,
 igr2= 782, 790,
 &end
#
# 47 VAL QG1 49 PHE QE 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 750, 751, 752,
 igr2= 784, 788,
 &end
#
# 47 VAL QG2 48 THR HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 754, 755, 756,
 &end
#
# 47 VAL QG2 49 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 754, 755, 756,
 &end
#
# 47 VAL QG2 73 PRO HB3 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1153, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 754, 755, 756,
 &end
#
# 48 THR HA 48 THR QG2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 766, 767, 768,
 &end
#
# 48 THR HA 49 PHE HB2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 778, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
# 48 THR HA 49 PHE HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 774, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 48 THR HA 49 PHE QD 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 782, 790,
 &end
#
# 48 THR HN 48 THR HB 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 764, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 48 THR HN 48 THR QG2 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 766, 767, 768,
 &end
#
# 48 THR QG2 49 PHE HN 1.80 3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 766, 767, 768,
 &end
#
# 48 THR QG2 49 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 766, 767, 768,
 igr2= 782, 790,
 &end
#
# 49 PHE HA 50 MET HN 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 794, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
# 49 PHE HB2 50 MET HN 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 794, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 49 PHE HB2 51 ASP- HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 811, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 49 PHE HB2 54 GLY HN 1.80 4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 850, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
# 49 PHE HB2 55 VAL QG2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 778,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 867, 868, 869,
 &end
#
# 49 PHE HB3 50 MET HN 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 49 PHE HB3 51 ASP- HN 1.80 3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 811, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
# 49 PHE HB3 54 GLY HA3 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 853, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 49 PHE HB3 54 GLY HN 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 850, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 49 PHE HB3 55 VAL QG2 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 867, 868, 869,
 &end
#
# 49 PHE HN 49 PHE HB2 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 778, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 49 PHE HN 49 PHE HB3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 779, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 49 PHE HN 49 PHE QD 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 782, 790,
 &end
#
# 49 PHE HN 49 PHE QE 1.80 5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 784, 788,
 &end
#
# 49 PHE HN 50 MET HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 794, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 49 PHE HN 55 VAL QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 774,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 867, 868, 869,
 &end
#
# 49 PHE HZ 58 VAL QG1 1.80 5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 913, 914, 915,
 &end
#
# 49 PHE HZ 58 VAL QG2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 917, 918, 919,
 &end
#
# 49 PHE QD 50 MET HN 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 51 ASP- HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 54 GLY HA2 1.80 4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 54 GLY HA3 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 54 GLY HN 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 55 VAL HA 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 782, 790,
 &end
#
# 49 PHE QD 55 VAL QG2 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 782, 790,
 igr2= 867, 868, 869,
 &end
#
# 49 PHE QE 54 GLY HA2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 784, 788,
 &end
#
# 49 PHE QE 55 VAL HA 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 784, 788,
 &end
#
# 49 PHE QE 55 VAL QG2 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 784, 788,
 igr2= 867, 868, 869,
 &end
#
# 49 PHE QE 58 VAL QG1 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= 784, 788,
 igr2= 913, 914, 915,
 &end
#
# 49 PHE QE 58 VAL QG2 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= 784, 788,
 igr2= 917, 918, 919,
 &end
#
# 50 MET HA 50 MET HG2 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 801, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 50 MET HA 50 MET HG3 1.80 3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 796, 802, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
# 50 MET HB2 51 ASP- HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 811, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 50 MET HB3 51 ASP- HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 799, 811, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 50 MET HG2 51 ASP- HN 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 801, 811, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
# 50 MET HG3 50 MET QE 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 805, 806, 807,
 &end
#
# 50 MET HN 50 MET HB2 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 50 MET HN 50 MET HB3 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 799, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
# 50 MET HN 50 MET HG2 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 801, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
# 50 MET HN 50 MET HG3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 802, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 50 MET HN 50 MET QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 798, 799,
 &end
#
# 50 MET HN 51 ASP- HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 51 ASP- HA 52 GLN HN 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 823, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 51 ASP- HA 53 ALA HN 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 813, 840, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 51 ASP- HN 51 ASP- QB 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 815, 816,
 &end
#
# 51 ASP- HN 55 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 867, 868, 869,
 &end
#
# 51 ASP- QB 52 GLN HB3 1.80 5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 815, 816,
 &end
#
# 51 ASP- QB 52 GLN HN 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 823, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 815, 816,
 &end
#
# 51 ASP- QB 53 ALA HN 1.80 3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 815, 816,
 &end
#
# 51 ASP- QB 53 ALA QB 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 815, 816,
 igr2= 844, 845, 846,
 &end
#
# 51 ASP- QB 54 GLY HN 1.80 5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 815, 816,
 &end
#
# 52 GLN HA 52 GLN QE2 1.80 4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 835, 836,
 &end
#
# 52 GLN HA 52 GLN QG 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 830, 831,
 &end
#
# 52 GLN HA 53 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 844, 845, 846,
 &end
#
# 52 GLN HA 54 GLY HN 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 850, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 52 GLN HA 55 VAL HB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 861, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 52 GLN HA 55 VAL HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 825, 857, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 52 GLN HA 55 VAL QG1 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 863, 864, 865,
 &end
#
# 52 GLN HA 55 VAL QG2 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 867, 868, 869,
 &end
#
# 52 GLN HB2 53 ALA HN 1.80 4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 827, 840, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 52 GLN HB3 53 ALA HA 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 842, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 52 GLN HB3 53 ALA HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 828, 840, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 52 GLN HB3 53 ALA QB 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 844, 845, 846,
 &end
#
# 52 GLN HE21 55 VAL HB 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 861, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 52 GLN HE21 55 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 835,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 863, 864, 865,
 &end
#
# 52 GLN HE22 55 VAL HB 1.80 4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 861, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
# 52 GLN HE22 55 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 863, 864, 865,
 &end
#
# 52 GLN HN 52 GLN HB2 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 827, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 52 GLN HN 52 GLN HB3 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 823, 828, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 52 GLN HN 52 GLN QG 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 830, 831,
 &end
#
# 52 GLN HN 55 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 823,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 867, 868, 869,
 &end
#
# 52 GLN QE2 55 VAL HB 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 835, 836,
 &end
#
# 52 GLN QE2 55 VAL QG1 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 835, 836,
 igr2= 863, 864, 865,
 &end
#
# 52 GLN QG 52 GLN HE21 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 830, 831,
 &end
#
# 52 GLN QG 52 GLN HE22 1.80 3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 830, 831,
 &end
#
# 52 GLN QG 52 GLN QE2 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= 830, 831,
 igr2= 835, 836,
 &end
#
# 52 GLN QG 53 ALA HA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 830, 831,
 &end
#
# 52 GLN QG 53 ALA HN 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 840, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 830, 831,
 &end
#
# 52 GLN QG 55 VAL QG1 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 830, 831,
 igr2= 863, 864, 865,
 &end
#
# 52 GLN QG 55 VAL QG2 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 830, 831,
 igr2= 867, 868, 869,
 &end
#
# 52 GLN QG 56 ASP- HN 1.80 5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 830, 831,
 &end
#
# 53 ALA HA 55 VAL HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 857, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 53 ALA HA 56 ASP- HB2 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 877, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 53 ALA HA 56 ASP- HB3 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 878, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 53 ALA HA 56 ASP- HN 1.80 3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 873, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 53 ALA HA 56 ASP- QB 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 877, 878,
 &end
#
# 53 ALA HA 57 LYS+ HG3 1.80 5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 893, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
# 53 ALA HA 57 LYS+ HN 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 842, 885, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 53 ALA HN 53 ALA QB 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 844, 845, 846,
 &end
#
# 53 ALA HN 54 GLY HA2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 852, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 ALA HN 54 GLY HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 850, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 53 ALA HN 55 VAL HN 1.80 4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 857, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
# 53 ALA HN 55 VAL QG2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 867, 868, 869,
 &end
#
# 53 ALA HN 56 ASP- QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 840,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 877, 878,
 &end
#
# 53 ALA QB 54 GLY HA2 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 54 GLY HA3 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 54 GLY HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 850, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 55 VAL HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 56 ASP- HB2 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 877, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 56 ASP- HB3 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 56 ASP- QB 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= 844, 845, 846,
 igr2= 877, 878,
 &end
#
# 53 ALA QB 57 LYS+ HN 1.80 4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 844, 845, 846,
 &end
#
# 53 ALA QB 57 LYS+ QE 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= 844, 845, 846,
 igr2= 898, 899,
 &end
#
# 54 GLY HA2 57 LYS+ QB 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 889, 890,
 &end
#
# 54 GLY HA2 58 VAL HN 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 907, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 54 GLY HA3 57 LYS+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 885, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 54 GLY HA3 57 LYS+ QB 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 889, 890,
 &end
#
# 54 GLY HA3 57 LYS+ QD 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 853,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 895, 896,
 &end
#
# 54 GLY HN 55 VAL HN 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 850, 857, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 54 GLY HN 55 VAL QG2 1.80 4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 867, 868, 869,
 &end
#
# 55 VAL HA 55 VAL QG1 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 863, 864, 865,
 &end
#
# 55 VAL HA 55 VAL QG2 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 867, 868, 869,
 &end
#
# 55 VAL HA 58 VAL HB 1.80 3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 911, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
# 55 VAL HA 58 VAL HN 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 907, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 55 VAL HA 58 VAL QG1 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 913, 914, 915,
 &end
#
# 55 VAL HA 58 VAL QG2 1.80 4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 917, 918, 919,
 &end
#
# 55 VAL HA 59 LEU HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 859, 923, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 55 VAL HB 56 ASP- HN 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 861, 873, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 55 VAL HN 55 VAL HB 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 55 VAL HN 55 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 863, 864, 865,
 &end
#
# 55 VAL HN 55 VAL QG2 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 857,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 867, 868, 869,
 &end
#
# 55 VAL HN 56 ASP- HN 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 873, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 55 VAL HN 57 LYS+ HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 857, 885, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 55 VAL QG1 56 ASP- HA 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 863, 864, 865,
 &end
#
# 55 VAL QG1 56 ASP- HN 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 863, 864, 865,
 &end
#
# 55 VAL QG1 58 VAL HB 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 863, 864, 865,
 &end
#
# 55 VAL QG1 59 LEU HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 863, 864, 865,
 &end
#
# 55 VAL QG1 75 VAL HA 1.80 4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1183, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 863, 864, 865,
 &end
#
# 55 VAL QG1 75 VAL QQG 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 863, 864, 865,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 55 VAL QG2 56 ASP- HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 873, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 867, 868, 869,
 &end
#
# 56 ASP- HA 58 VAL HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 907, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 56 ASP- HA 59 LEU HB2 1.80 3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 927, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 56 ASP- HA 59 LEU HG 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 930, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
# 56 ASP- HA 59 LEU HN 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 923, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 56 ASP- HA 59 LEU QD1 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 932, 933, 934,
 &end
#
# 56 ASP- HA 60 ALA HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 875, 942, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 56 ASP- HB2 57 LYS+ HG3 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 893, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 56 ASP- HB2 57 LYS+ HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 877, 885, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 56 ASP- HB3 57 LYS+ HG3 1.80 4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 893, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 56 ASP- HB3 57 LYS+ HN 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 885, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 56 ASP- HN 56 ASP- HB2 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 877, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 56 ASP- HN 56 ASP- HB3 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
# 56 ASP- HN 56 ASP- QB 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 877, 878,
 &end
#
# 56 ASP- HN 57 LYS+ HG3 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 893, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 56 ASP- HN 59 LEU QD1 1.80 4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 932, 933, 934,
 &end
#
# 56 ASP- QB 57 LYS+ HG3 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 877, 878,
 &end
#
# 56 ASP- QB 57 LYS+ HN 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr1= 877, 878,
 &end
#
# 56 ASP- QB 59 LEU QD1 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 877, 878,
 igr2= 932, 933, 934,
 &end
#
# 57 LYS+ HA 57 LYS+ HG2 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 892, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 57 LYS+ HA 57 LYS+ HG3 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 893, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 57 LYS+ HA 57 LYS+ QB 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2= 889, 890,
 &end
#
# 57 LYS+ HA 57 LYS+ QD 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 895, 896,
 &end
#
# 57 LYS+ HA 57 LYS+ QE 1.80 4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 898, 899,
 &end
#
# 57 LYS+ HA 60 ALA HN 1.80 3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 887, 942, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 57 LYS+ HA 60 ALA QB 1.80 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 946, 947, 948,
 &end
#
# 57 LYS+ HG2 57 LYS+ QE 1.80 3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 898, 899,
 &end
#
# 57 LYS+ HG3 57 LYS+ QE 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 898, 899,
 &end
#
# 57 LYS+ HN 57 LYS+ HG2 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 892, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 57 LYS+ HN 57 LYS+ HG3 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 893, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 57 LYS+ HN 57 LYS+ QB 1.80 3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 889, 890,
 &end
#
# 57 LYS+ HN 57 LYS+ QD 1.80 4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 895, 896,
 &end
#
# 57 LYS+ HN 58 VAL HN 1.80 2.77
 &rst
  ixpk= 0, nxpk= 0, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
# 57 LYS+ HN 58 VAL QG2 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 917, 918, 919,
 &end
#
# 57 LYS+ QB 57 LYS+ QD 1.80 2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 889, 890,
 igr2= 895, 896,
 &end
#
# 57 LYS+ QB 57 LYS+ QE 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 889, 890,
 igr2= 898, 899,
 &end
#
# 57 LYS+ QB 58 VAL HA 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 889, 890,
 &end
#
# 57 LYS+ QB 58 VAL HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 889, 890,
 &end
#
# 57 LYS+ QB 58 VAL QG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 889, 890,
 igr2= 917, 918, 919,
 &end
#
# 58 VAL HA 58 VAL QG1 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 913, 914, 915,
 &end
#
# 58 VAL HA 58 VAL QG2 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 917, 918, 919,
 &end
#
# 58 VAL HA 59 LEU HG 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 930, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
# 58 VAL HA 60 ALA HN 1.80 4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 942, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
# 58 VAL HA 60 ALA QB 1.80 5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 946, 947, 948,
 &end
#
# 58 VAL HA 61 GLN HN 1.80 4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 909, 952, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 58 VAL HA 61 GLN QB 1.80 4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 956, 957,
 &end
#
# 58 VAL HA 64 HIS HE1 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 909,1014, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 58 VAL HB 59 LEU HG 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 930, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
# 58 VAL HB 59 LEU HN 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 923, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
# 58 VAL HB 59 LEU QD2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 936, 937, 938,
 &end
#
# 58 VAL HB 60 ALA HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 911, 942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 58 VAL HN 58 VAL HB 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 911, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 58 VAL HN 58 VAL QG1 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 913, 914, 915,
 &end
#
# 58 VAL HN 58 VAL QG2 1.80 3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 917, 918, 919,
 &end
#
# 58 VAL HN 59 LEU HG 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 930, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 58 VAL HN 59 LEU HN 1.80 3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 907, 923, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
# 58 VAL QG1 59 LEU HA 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 59 LEU HG 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 930, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 59 LEU HN 1.80 3.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 64 HIS HD2 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 64 HIS HE1 1.80 3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 73 PRO HB2 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 73 PRO HD2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 73 PRO HG2 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 73 PRO HG3 1.80 3.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG1 74 LYS+ HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 913, 914, 915,
 &end
#
# 58 VAL QG2 59 LEU HN 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 923, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 917, 918, 919,
 &end
#
# 58 VAL QG2 61 GLN HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 917, 918, 919,
 &end
#
# 58 VAL QG2 64 HIS HE1 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 917, 918, 919,
 &end
#
# 58 VAL QG2 73 PRO HB2 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 917, 918, 919,
 &end
#
# 58 VAL QG2 73 PRO HG3 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 917, 918, 919,
 &end
#
# 59 LEU HA 59 LEU HG 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 930, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 59 LEU HA 59 LEU QD2 1.80 2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 925,  -1, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,
 igr2= 936, 937, 938,
 &end
#
# 59 LEU HA 61 GLN HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 952, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 59 LEU HB2 59 LEU QD1 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 932, 933, 934,
 &end
#
# 59 LEU HB2 59 LEU QD2 1.80 3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 936, 937, 938,
 &end
#
# 59 LEU HB2 60 ALA HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 927, 942, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 59 LEU HB3 59 LEU QD2 1.80 2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 928,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 936, 937, 938,
 &end
#
# 59 LEU HB3 60 ALA HN 1.80 4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 928, 942, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 59 LEU HG 60 ALA HN 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 942, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 59 LEU HN 59 LEU HB2 1.80 3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 927, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 59 LEU HN 59 LEU HB3 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 928, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 59 LEU HN 59 LEU HG 1.80 2.91
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 930, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
# 59 LEU HN 59 LEU QD1 1.80 3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 932, 933, 934,
 &end
#
# 59 LEU HN 59 LEU QD2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 936, 937, 938,
 &end
#
# 59 LEU HN 60 ALA HA 1.80 5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 944, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
# 59 LEU HN 60 ALA HN 1.80 3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 942, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 59 LEU HN 60 ALA QB 1.80 4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 946, 947, 948,
 &end
#
# 59 LEU HN 61 GLN HN 1.80 4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 952, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 59 LEU QD1 60 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 932, 933, 934,
 &end
#
# 59 LEU QD1 60 ALA HN 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 932, 933, 934,
 &end
#
# 59 LEU QD1 75 VAL QQG 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 932, 933, 934,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 59 LEU QD2 74 LYS+ HA 1.80 3.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 936, 937, 938,
 &end
#
# 59 LEU QD2 75 VAL HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 936, 937, 938,
 &end
#
# 59 LEU QD2 75 VAL QQG 1.80 2.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 936, 937, 938,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 60 ALA HA 61 GLN HN 1.80 3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 944, 952, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 60 ALA HN 60 ALA QB 1.80 2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 946, 947, 948,
 &end
#
# 60 ALA HN 61 GLN QB 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 956, 957,
 &end
#
# 60 ALA QB 61 GLN HA 1.80 4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 946, 947, 948,
 &end
#
# 60 ALA QB 61 GLN HN 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 952, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 946, 947, 948,
 &end
#
# 61 GLN HA 61 GLN HG2 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 959, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 61 GLN HA 61 GLN HG3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 960, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 61 GLN HA 61 GLN QG 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 959, 960,
 &end
#
# 61 GLN HA 62 SER HN 1.80 2.73
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 969, r1= 1.30, r2= 1.80, r3= 2.73, r4= 3.23,  &end
#
# 61 GLN HA 62 SER QB 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 954,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 973, 974,
 &end
#
# 61 GLN HA 63 ARG+ HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 980, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 61 GLN HB2 64 HIS HE1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 956,1014, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 61 GLN HB3 64 HIS HE1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 957,1014, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 61 GLN HE21 64 HIS HA 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 964,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 61 GLN HE22 64 HIS HA 1.80 4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1006, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
# 61 GLN HG2 61 GLN HE21 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 964, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 GLN HG2 61 GLN HE22 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 965, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 GLN HG2 62 SER HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 969, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 61 GLN HG2 63 ARG+ HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 959, 980, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 61 GLN HG2 64 HIS HE1 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 959,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 61 GLN HG3 61 GLN HE21 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 964, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 GLN HG3 61 GLN HE22 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 965, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
# 61 GLN HG3 62 SER HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 969, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 61 GLN HG3 63 ARG+ HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 980, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 61 GLN HG3 64 HIS HE1 1.80 5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 960,1014, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 61 GLN HN 61 GLN HB2 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 956, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 61 GLN HN 61 GLN HB3 1.80 3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 957, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 61 GLN HN 61 GLN QB 1.80 2.71
 &rst
  ixpk= 0, nxpk= 0, iat= 952,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2= 956, 957,
 &end
#
# 61 GLN HN 62 SER HN 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 952, 969, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 61 GLN HN 64 HIS HE1 1.80 4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 952,1014, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
# 61 GLN QB 61 GLN QE2 1.80 4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 956, 957,
 igr2= 964, 965,
 &end
#
# 61 GLN QB 64 HIS HD2 1.80 5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 956, 957,
 &end
#
# 61 GLN QB 64 HIS HE1 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 956, 957,
 &end
#
# 61 GLN QE2 64 HIS HA 1.80 3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 964, 965,
 &end
#
# 61 GLN QE2 65 GLU- HN 1.80 4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 964, 965,
 &end
#
# 61 GLN QG 61 GLN QE2 1.80 2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 959, 960,
 igr2= 964, 965,
 &end
#
# 61 GLN QG 62 SER HA 1.80 4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 971, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 959, 960,
 &end
#
# 61 GLN QG 62 SER HN 1.80 3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 959, 960,
 &end
#
# 61 GLN QG 64 HIS HD2 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 959, 960,
 &end
#
# 61 GLN QG 64 HIS HE1 1.80 4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 959, 960,
 &end
#
# 62 SER HA 62 SER QB 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 973, 974,
 &end
#
# 62 SER HN 62 SER QB 1.80 3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 973, 974,
 &end
#
# 62 SER HN 63 ARG+ HN 1.80 3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 980, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 62 SER QB 63 ARG+ HN 1.80 3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 973, 974,
 &end
#
# 62 SER QB 63 ARG+ QB 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 973, 974,
 igr2= 984, 985,
 &end
#
# 63 ARG+ HA 63 ARG+ HG2 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 987, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 63 ARG+ HA 63 ARG+ HG3 1.80 4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 982, 988, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
# 63 ARG+ HA 63 ARG+ QD 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 990, 991,
 &end
#
# 63 ARG+ HA 63 ARG+ QG 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 987, 988,
 &end
#
# 63 ARG+ HA 64 HIS HD2 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 982,1017, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 63 ARG+ HA 64 HIS HN 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 982,1004, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 63 ARG+ HB2 63 ARG+ QD 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 990, 991,
 &end
#
# 63 ARG+ HB2 64 HIS HN 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 984,1004, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 63 ARG+ HB3 63 ARG+ QD 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 990, 991,
 &end
#
# 63 ARG+ HB3 64 HIS HN 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 985,1004, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 63 ARG+ HG2 64 HIS HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 987,1004, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 63 ARG+ HG3 64 HIS HN 1.80 4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 988,1004, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 63 ARG+ HN 63 ARG+ HB2 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 63 ARG+ HN 63 ARG+ HB3 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 985, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 63 ARG+ HN 63 ARG+ HG2 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 987, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 63 ARG+ HN 63 ARG+ HG3 1.80 4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 980, 988, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
# 63 ARG+ HN 63 ARG+ QB 1.80 3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 984, 985,
 &end
#
# 63 ARG+ HN 63 ARG+ QD 1.80 5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 990, 991,
 &end
#
# 63 ARG+ HN 64 HIS HN 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 980,1004, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 63 ARG+ QB 63 ARG+ HE 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 984, 985,
 &end
#
# 63 ARG+ QB 63 ARG+ QD 1.80 2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1= 984, 985,
 igr2= 990, 991,
 &end
#
# 63 ARG+ QB 64 HIS HN 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 984, 985,
 &end
#
# 63 ARG+ QD 70 THR 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= 990, 991,
 igr2=1106,1107,1108,
 &end
#
# 63 ARG+ QG 64 HIS HN 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 987, 988,
 &end
#
# 64 HIS HA 64 HIS HD2 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1017, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 64 HIS HA 65 GLU- HN 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1021, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
# 64 HIS HA 71 ILE QD1 1.80 5.13
 &rst
  ixpk= 0, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1127,1128,1129,
 &end
#
# 64 HIS HB2 65 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1021, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 64 HIS HB2 71 ILE HG12 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1124, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 64 HIS HB2 71 ILE HG13 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 64 HIS HB2 71 ILE HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 64 HIS HB2 71 ILE QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1127,1128,1129,
 &end
#
# 64 HIS HB2 73 PRO HG3 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1150, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 64 HIS HB3 65 GLU- HN 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1021, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 64 HIS HB3 71 ILE HG12 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1124, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 64 HIS HB3 71 ILE HG13 1.80 4.07
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1125, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 64 HIS HB3 71 ILE HN 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1114, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
# 64 HIS HB3 71 ILE QD1 1.80 3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1127,1128,1129,
 &end
#
# 64 HIS HB3 73 PRO HG3 1.80 4.86
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1150, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 64 HIS HD2 71 ILE QG1 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1124,1125,
 &end
#
# 64 HIS HD2 73 PRO HD2 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1146, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 64 HIS HD2 73 PRO HD3 1.80 4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1147, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 64 HIS HD2 73 PRO HG2 1.80 4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1149, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 64 HIS HD2 73 PRO HG3 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=1017,1150, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 64 HIS HN 64 HIS HB2 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1008, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 64 HIS HN 64 HIS HB3 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1009, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 64 HIS HN 64 HIS HD2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1017, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 64 HIS HN 64 HIS QB 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1008,1009,
 &end
#
# 64 HIS HN 65 GLU- HN 1.80 4.90
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1021, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 64 HIS HN 70 THR QG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1106,1107,1108,
 &end
#
# 64 HIS QB 65 GLU- HA 1.80 4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1008,1009,
 &end
#
# 64 HIS QB 65 GLU- HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1021, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1008,1009,
 &end
#
# 64 HIS QB 71 ILE HN 1.80 3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1008,1009,
 &end
#
# 64 HIS QB 71 ILE QD1 1.80 3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1008,1009,
 igr2=1127,1128,1129,
 &end
#
# 64 HIS QB 71 ILE QG1 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1008,1009,
 igr2=1124,1125,
 &end
#
# 64 HIS QB 71 ILE QG2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1008,1009,
 igr2=1120,1121,1122,
 &end
#
# 64 HIS QB 73 PRO HD3 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1008,1009,
 &end
#
# 65 GLU- HA 65 GLU- QG 1.80 3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1028,1029,
 &end
#
# 65 GLU- HA 66 LEU HN 1.80 2.87
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1036, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
# 65 GLU- HA 69 LYS+ HN 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1078, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 65 GLU- HA 70 THR HA 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1102, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 65 GLU- HA 70 THR HN 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1100, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 65 GLU- HA 70 THR QG2 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1106,1107,1108,
 &end
#
# 65 GLU- HA 71 ILE HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1023,1114, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 65 GLU- HA 71 ILE QD1 1.80 4.56
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1127,1128,1129,
 &end
#
# 65 GLU- HA 71 ILE QG1 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1124,1125,
 &end
#
# 65 GLU- HA 71 ILE QG2 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1120,1121,1122,
 &end
#
# 65 GLU- HB2 66 LEU HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1025,1036, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 65 GLU- HB3 66 LEU HN 1.80 4.55
 &rst
  ixpk= 0, nxpk= 0, iat=1026,1036, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 65 GLU- HN 65 GLU- HB2 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1025, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 65 GLU- HN 65 GLU- HB3 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1021,1026, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 65 GLU- HN 65 GLU- QB 1.80 3.27
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1025,1026,
 &end
#
# 65 GLU- HN 65 GLU- QG 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1028,1029,
 &end
#
# 65 GLU- HN 71 ILE QD1 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1021,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1127,1128,1129,
 &end
#
# 65 GLU- QB 66 LEU HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1025,1026,
 &end
#
# 65 GLU- QG 66 LEU HN 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1028,1029,
 &end
#
# 65 GLU- QG 68 SER HA 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1069, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1028,1029,
 &end
#
# 65 GLU- QG 68 SER HN 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1028,1029,
 &end
#
# 65 GLU- QG 69 LYS+ HN 1.80 3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1028,1029,
 &end
#
# 65 GLU- QG 70 THR HA 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1028,1029,
 &end
#
# 65 GLU- QG 71 ILE HN 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1028,1029,
 &end
#
# 66 LEU HA 66 LEU QD1 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2=1045,1046,1047,
 &end
#
# 66 LEU HA 66 LEU QD2 1.80 3.98
 &rst
  ixpk= 0, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1049,1050,1051,
 &end
#
# 66 LEU HA 67 ASP- HN 1.80 2.65
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1055, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
# 66 LEU HA 68 SER HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1067, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 66 LEU HA 69 LYS+ HN 1.80 4.67
 &rst
  ixpk= 0, nxpk= 0, iat=1038,1078, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
# 66 LEU HB2 66 LEU QD1 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1045,1046,1047,
 &end
#
# 66 LEU HB2 67 ASP- HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1040,1055, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 66 LEU HB2 71 ILE QG2 1.80 3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1040,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1120,1121,1122,
 &end
#
# 66 LEU HB3 66 LEU QD1 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1045,1046,1047,
 &end
#
# 66 LEU HB3 69 LYS+ HN 1.80 5.19
 &rst
  ixpk= 0, nxpk= 0, iat=1041,1078, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
# 66 LEU HB3 71 ILE QD1 1.80 3.38
 &rst
  ixpk= 0, nxpk= 0, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1127,1128,1129,
 &end
#
# 66 LEU HB3 71 ILE QG2 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1041,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1120,1121,1122,
 &end
#
# 66 LEU HG 67 ASP- HB2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1059, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 66 LEU HG 67 ASP- HB3 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1060, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 66 LEU HG 67 ASP- HN 1.80 3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1043,1055, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 66 LEU HG 67 ASP- QB 1.80 4.18
 &rst
  ixpk= 0, nxpk= 0, iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1059,1060,
 &end
#
# 66 LEU HN 66 LEU HB2 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1040, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 66 LEU HN 66 LEU HB3 1.80 3.67
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1041, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 66 LEU HN 66 LEU QD1 1.80 4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1045,1046,1047,
 &end
#
# 66 LEU HN 66 LEU QD2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1049,1050,1051,
 &end
#
# 66 LEU HN 67 ASP- HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1055, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 66 LEU HN 69 LYS+ HB2 1.80 4.37
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1082, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
# 66 LEU HN 69 LYS+ HN 1.80 3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1078, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
# 66 LEU HN 71 ILE HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1036,1114, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 66 LEU HN 71 ILE QD1 1.80 4.24
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1127,1128,1129,
 &end
#
# 66 LEU HN 71 ILE QG2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2=1120,1121,1122,
 &end
#
# 66 LEU QD1 67 ASP- HN 1.80 3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1045,1046,1047,
 &end
#
# 66 LEU QD1 68 SER HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1045,1046,1047,
 &end
#
# 66 LEU QD2 67 ASP- HN 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1049,1050,1051,
 &end
#
# 67 ASP- HA 68 SER HA 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1069, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 67 ASP- HA 68 SER HN 1.80 3.07
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1067, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
# 67 ASP- HA 69 LYS+ HN 1.80 5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1078, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 67 ASP- HN 67 ASP- HA 1.80 2.90
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1057, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 67 ASP- HN 67 ASP- QB 1.80 3.70
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1059,1060,
 &end
#
# 67 ASP- HN 68 SER HA 1.80 5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1069, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
# 67 ASP- HN 68 SER HN 1.80 3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1067, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
# 67 ASP- HN 69 LYS+ HN 1.80 4.78
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1078, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 67 ASP- QB 68 SER 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=1059,1060,
 igr2=1071,1072,
 &end
#
# 68 SER HA 69 LYS+ HN 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1069,1078, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 68 SER HB2 69 LYS+ HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1071,1078, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 68 SER HB3 69 LYS+ HN 1.80 4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1078, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 68 SER HN 68 SER HA 1.80 2.72
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1069, r1= 1.30, r2= 1.80, r3= 2.72, r4= 3.22,  &end
#
# 68 SER HN 68 SER HB2 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1071, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 68 SER HN 68 SER HB3 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1072, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 68 SER HN 69 LYS+ HN 1.80 3.25
 &rst
  ixpk= 0, nxpk= 0, iat=1067,1078, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 68 SER QB 69 LYS+ HG2 1.80 4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1071,1072,
 &end
#
# 68 SER QB 69 LYS+ HN 1.80 3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1071,1072,
 &end
#
# 69 LYS+ HA 69 LYS+ HD2 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1088, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 69 LYS+ HA 69 LYS+ HD3 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1089, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 69 LYS+ HA 70 THR HB 1.80 5.25
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1104, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
# 69 LYS+ HA 70 THR HN 1.80 2.93
 &rst
  ixpk= 0, nxpk= 0, iat=1080,1100, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
# 69 LYS+ HB2 71 ILE QG2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1082,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1120,1121,1122,
 &end
#
# 69 LYS+ HB3 70 THR HN 1.80 3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1100, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 69 LYS+ HB3 71 ILE QG2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1120,1121,1122,
 &end
#
# 69 LYS+ HG2 70 THR HN 1.80 4.57
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1100, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 69 LYS+ HG3 70 THR HN 1.80 5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1086,1100, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 69 LYS+ HG3 71 ILE QG2 1.80 5.38
 &rst
  ixpk= 0, nxpk= 0, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2=1120,1121,1122,
 &end
#
# 69 LYS+ HN 69 LYS+ HB2 1.80 3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1082, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
# 69 LYS+ HN 69 LYS+ HB3 1.80 3.64
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1083, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 69 LYS+ HN 69 LYS+ HG2 1.80 3.88
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1085, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 69 LYS+ HN 69 LYS+ HG3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1086, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 69 LYS+ HN 70 THR HN 1.80 4.65
 &rst
  ixpk= 0, nxpk= 0, iat=1078,1100, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
# 69 LYS+ HN 71 ILE QG2 1.80 4.80
 &rst
  ixpk= 0, nxpk= 0, iat=1078,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1120,1121,1122,
 &end
#
# 69 LYS+ QD 70 THR HN 1.80 3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1=1088,1089,
 &end
#
# 70 THR HA 70 THR QG2 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1106,1107,1108,
 &end
#
# 70 THR HA 71 ILE HN 1.80 3.26
 &rst
  ixpk= 0, nxpk= 0, iat=1102,1114, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 70 THR HA 71 ILE QG2 1.80 4.46
 &rst
  ixpk= 0, nxpk= 0, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1120,1121,1122,
 &end
#
# 70 THR HB 71 ILE HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 70 THR HB 71 ILE HN 1.80 4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1114, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
# 70 THR HN 70 THR HB 1.80 3.12
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1104, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 70 THR HN 70 THR QG2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1106,1107,1108,
 &end
#
# 70 THR HN 71 ILE HN 1.80 4.53
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1114, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 70 THR QG2 71 ILE HN 1.80 3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1114, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1=1106,1107,1108,
 &end
#
# 71 ILE HA 71 ILE QD1 1.80 5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2=1127,1128,1129,
 &end
#
# 71 ILE HA 71 ILE QG2 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1120,1121,1122,
 &end
#
# 71 ILE HA 72 ASP- HN 1.80 3.55
 &rst
  ixpk= 0, nxpk= 0, iat=1116,1133, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 71 ILE HB 71 ILE QD1 1.80 3.41
 &rst
  ixpk= 0, nxpk= 0, iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1127,1128,1129,
 &end
#
# 71 ILE HB 72 ASP- HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1133, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 71 ILE HB 73 PRO HG3 1.80 4.41
 &rst
  ixpk= 0, nxpk= 0, iat=1118,1150, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 71 ILE HN 71 ILE HG12 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1124, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 71 ILE HN 71 ILE HG13 1.80 3.62
 &rst
  ixpk= 0, nxpk= 0, iat=1114,1125, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
# 71 ILE HN 71 ILE QD1 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1127,1128,1129,
 &end
#
# 71 ILE HN 71 ILE QG1 1.80 3.08
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1124,1125,
 &end
#
# 71 ILE HN 71 ILE QG2 1.80 3.56
 &rst
  ixpk= 0, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1120,1121,1122,
 &end
#
# 71 ILE QD1 72 ASP- HN 1.80 5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1127,1128,1129,
 &end
#
# 71 ILE QD1 73 PRO HD2 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1127,1128,1129,
 &end
#
# 71 ILE QD1 73 PRO HD3 1.80 4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1127,1128,1129,
 &end
#
# 71 ILE QD1 73 PRO HG2 1.80 4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1149, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=1127,1128,1129,
 &end
#
# 71 ILE QD1 73 PRO HG3 1.80 3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1127,1128,1129,
 &end
#
# 71 ILE QG1 73 PRO HD3 1.80 3.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1147, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1=1124,1125,
 &end
#
# 71 ILE QG2 71 ILE QD1 1.80 2.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1120,1121,1122,
 igr2=1127,1128,1129,
 &end
#
# 71 ILE QG2 72 ASP- HN 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1120,1121,1122,
 &end
#
# 72 ASP- HA 73 PRO HD2 1.80 3.35
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1146, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 72 ASP- HA 73 PRO HD3 1.80 3.21
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1147, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
# 72 ASP- HA 73 PRO HG3 1.80 4.97
 &rst
  ixpk= 0, nxpk= 0, iat=1135,1150, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 72 ASP- HN 72 ASP- HB2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 72 ASP- HN 72 ASP- HB3 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1138, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 72 ASP- HN 72 ASP- QB 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1137,1138,
 &end
#
# 72 ASP- HN 73 PRO HD3 1.80 4.82
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1147, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 73 PRO HA 74 LYS+ HN 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 73 PRO HA 74 LYS+ QG 1.80 4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1166,1167,
 &end
#
# 73 PRO HB3 74 LYS+ HN 1.80 4.26
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1159, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 74 LYS+ HA 75 VAL HN 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1161,1181, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 74 LYS+ HA 75 VAL QQG 1.80 4.48
 &rst
  ixpk= 0, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 74 LYS+ HB2 75 VAL HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1181, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 74 LYS+ HB3 75 VAL HN 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1164,1181, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 74 LYS+ HN 74 LYS+ QE 1.80 5.03
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1172,1173,
 &end
#
# 74 LYS+ HN 74 LYS+ QG 1.80 3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1166,1167,
 &end
#
# 74 LYS+ QB 74 LYS+ QD 1.80 3.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1163,1164,
 igr2=1169,1170,
 &end
#
# 74 LYS+ QB 74 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=1163,1164,
 igr2=1172,1173,
 &end
#
# 74 LYS+ QB 75 VAL QQG 1.80 4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1163,1164,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 74 LYS+ QG 74 LYS+ QE 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=1166,1167,
 igr2=1172,1173,
 &end
#
# 74 LYS+ QG 75 VAL HN 1.80 4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1166,1167,
 &end
#
# 75 VAL HA 75 VAL QG1 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1187,1188,1189,
 &end
#
# 75 VAL HA 75 VAL QG2 1.80 3.36
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1191,1192,1193,
 &end
#
# 75 VAL HA 75 VAL QQG 1.80 2.74
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 75 VAL HA 76 ALA HN 1.80 3.06
 &rst
  ixpk= 0, nxpk= 0, iat=1183,1197, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 75 VAL HA 76 ALA QB 1.80 4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1183,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1201,1202,1203,
 &end
#
# 75 VAL HB 76 ALA HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=1185,1197, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 75 VAL HN 75 VAL HB 1.80 3.65
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1185, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 75 VAL HN 75 VAL QG1 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1187,1188,1189,
 &end
#
# 75 VAL HN 75 VAL QG2 1.80 3.95
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1191,1192,1193,
 &end
#
# 75 VAL HN 75 VAL QQG 1.80 2.98
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1187,1188,1189,1191,1192,1193,
 &end
#
# 75 VAL QG1 76 ALA HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1187,1188,1189,
 &end
#
# 75 VAL QG2 76 ALA HN 1.80 4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1191,1192,1193,
 &end
#
# 75 VAL QQG 76 ALA HN 1.80 3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1187,1188,1189,1191,1192,1193,
 &end
#
# 76 ALA HN 76 ALA QB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1201,1202,1203,
 &end
#
# 76 ALA QB 77 PHE HN 1.80 4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1201,1202,1203,
 &end
#
# 77 PHE HA 77 PHE QD 1.80 4.79
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1215,1223,
 &end
#
# 77 PHE HA 78 PRO HD2 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1228, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 77 PHE HA 78 PRO HD3 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1229, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 77 PHE HA 78 PRO QD 1.80 3.04
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2=1228,1229,
 &end
#
# 77 PHE HA 78 PRO QG 1.80 4.30
 &rst
  ixpk= 0, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1231,1232,
 &end
#
# 77 PHE HB2 78 PRO QD 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1228,1229,
 &end
#
# 77 PHE HB3 78 PRO HD2 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1228, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 77 PHE HB3 78 PRO HD3 1.80 4.11
 &rst
  ixpk= 0, nxpk= 0, iat=1212,1229, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 77 PHE HB3 78 PRO QD 1.80 3.60
 &rst
  ixpk= 0, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1228,1229,
 &end
#
# 77 PHE HN 77 PHE QD 1.80 5.26
 &rst
  ixpk= 0, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1215,1223,
 &end
#
# 77 PHE QD 78 PRO HD2 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1215,1223,
 &end
#
# 77 PHE QD 78 PRO HD3 1.80 5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1215,1223,
 &end
#
# 78 PRO HA 79 ARG+ HN 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1237,1241, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 78 PRO HB2 79 ARG+ HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1234,1241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 78 PRO HB3 79 ARG+ HN 1.80 4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1235,1241, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
# 78 PRO QB 79 ARG+ HN 1.80 3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1=1234,1235,
 &end
#
# 78 PRO QG 79 ARG+ HN 1.80 4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1241, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1231,1232,
 &end
#
# 79 ARG+ HA 79 ARG+ QG 1.80 3.51
 &rst
  ixpk= 0, nxpk= 0, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1248,1249,
 &end
#
# 79 ARG+ HA 80 ARG+ HN 1.80 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=1243,1265, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
# 79 ARG+ HB2 80 ARG+ HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1265, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 79 ARG+ HB3 80 ARG+ HN 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1265, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 79 ARG+ HN 79 ARG+ HB2 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1245, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 79 ARG+ HN 79 ARG+ HB3 1.80 3.81
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1246, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 79 ARG+ HN 79 ARG+ QB 1.80 3.34
 &rst
  ixpk= 0, nxpk= 0, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1245,1246,
 &end
#
# 79 ARG+ HN 79 ARG+ QG 1.80 3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1248,1249,
 &end
#
# 79 ARG+ HN 80 ARG+ HN 1.80 4.60
 &rst
  ixpk= 0, nxpk= 0, iat=1241,1265, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 79 ARG+ QB 79 ARG+ QD 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=1245,1246,
 igr2=1251,1252,
 &end
#
# 79 ARG+ QB 80 ARG+ HN 1.80 3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1245,1246,
 &end
#
# 80 ARG+ HA 80 ARG+ HD2 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1275, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 80 ARG+ HA 80 ARG+ HD3 1.80 4.34
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1276, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
# 80 ARG+ HA 80 ARG+ QG 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1272,1273,
 &end
#
# 80 ARG+ HA 81 ALA HN 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1267,1289, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
# 80 ARG+ HA 81 ALA QB 1.80 4.45
 &rst
  ixpk= 0, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1293,1294,1295,
 &end
#
# 80 ARG+ HB2 80 ARG+ QG 1.80 2.64
 &rst
  ixpk= 0, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2=1272,1273,
 &end
#
# 80 ARG+ HB3 80 ARG+ QG 1.80 2.64
 &rst
  ixpk= 0, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr2=1272,1273,
 &end
#
# 80 ARG+ HN 80 ARG+ HB2 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 80 ARG+ HN 80 ARG+ HB3 1.80 4.02
 &rst
  ixpk= 0, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 80 ARG+ HN 80 ARG+ QB 1.80 3.47
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1269,1270,
 &end
#
# 80 ARG+ HN 80 ARG+ QG 1.80 4.08
 &rst
  ixpk= 0, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1272,1273,
 &end
#
# 80 ARG+ QB 80 ARG+ 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=1269,1270,
 igr2=1275,1276,
 &end
#
# 80 ARG+ QB 81 ALA HN 1.80 4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1=1269,1270,
 &end
#
# 80 ARG QD 46 PHE QE 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 5.00, r2= 5.50, r3=125.99, r4=126.49,
 igr1=1275,1276,
 igr2= 734, 738,
 &end
#
# 80 ARG+ QG 81 ALA HN 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1289, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1272,1273,
 &end
#
# 81 ALA HA 82 GLN HN 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1299, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 81 ALA HN 81 ALA QB 1.80 3.19
 &rst
  ixpk= 0, nxpk= 0, iat=1289,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1293,1294,1295,
 &end
#
# 81 ALA HN 82 GLN HN 1.80 4.85
 &rst
  ixpk= 0, nxpk= 0, iat=1289,1299, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 81 ALA QB 82 GLN HN 1.80 3.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1293,1294,1295,
 &end
#
# 82 GLN HA 82 GLN QG 1.80 4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1301,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1306,1307,
 &end
#
# 82 GLN HA 83 PRO HD2 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1317, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 82 GLN HA 83 PRO HD3 1.80 3.24
 &rst
  ixpk= 0, nxpk= 0, iat=1301,1318, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
# 82 GLN HN 82 GLN HB2 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1303, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 82 GLN HN 82 GLN HB3 1.80 3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 82 GLN HN 82 GLN QB 1.80 3.16
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1303,1304,
 &end
#
# 82 GLN HN 82 GLN QG 1.80 4.09
 &rst
  ixpk= 0, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1306,1307,
 &end
#
# 82 GLN QB 83 PRO QD 1.80 3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1303,1304,
 igr2=1317,1318,
 &end
#
# 83 PRO HA 84 LYS+ HN 1.80 2.89
 &rst
  ixpk= 0, nxpk= 0, iat=1326,1330, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 83 PRO QB 84 LYS+ HN 1.80 4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1323,1324,
 &end
#
# 84 LYS+ HN 84 LYS+ QG 1.80 4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1337,1338,
 &end
#
# 85 RG H1' 10 TRP HE1 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1361, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H1' 10 TRP HZ2 1.80 4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1361, 150, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 85 RG H1' 69 LYS QE 6.00 100
 &rst
  ixpk= 0, nxpk= 0, iat=1361,  -1, r1= 5.50, r2= 6.00, r3=112.25, r4=112.75,
 igr2=1091,1092,
 &end
#
# 85 RG H1' 85 RG H8 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1364, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 RG H2' 10 TRP HE1 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1380, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H2' 69 LYS QE 6.00 100
 &rst
  ixpk= 0, nxpk= 0, iat=1380,  -1, r1= 5.50, r2= 6.00, r3=112.25, r4=112.75,
 igr2=1091,1092,
 &end
#
# 85 RG H2' 85 RG H8 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1380,1364, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85 RG H4' 10 TRP HE1 5.00 100
 &rst
  ixpk= 0, nxpk= 0, iat=1358, 147, r1= 4.50, r2= 5.00, r3=100.00, r4=100.50,  &end
#
# 85 RG H4' 10 TRP HZ2 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1358, 150, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 85 RG H4' 10 TRP HZ3 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1358, 154, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 85 RG H8 10 TRP HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 85 RG H8 10 TRP HD1 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 145, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H8 10 TRP HE1 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H8 10 TRP HH2 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 152, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 85 RG H8 10 TRP HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 137, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H8 10 TRP HZ2 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 150, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 85 RG H8 10 TRP HZ3 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 154, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 85 RG H8 10 TRP QB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 141, 142,
 &end
#
# 85 RG H8 69 LYS QD 1.80 6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1088,1089,
 &end
#
# 85 RG H8 9 SER HA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 128, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 85 RG H8 9 SER HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1364, 126, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 RU H1' 44 PHE QB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 701, 702,
 &end
#
# 86 RU H1' 6 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 RU H1' 6 GLY QA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  95,  96,
 &end
#
# 86 RU H1' 7 GLY HN 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1395, 100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 RU H1' 7 GLY QA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1395,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 102, 103,
 &end
#
# 86 RU H1' 86 RU H6 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1395,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 RU H2' 6 GLY QA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1410,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=  95,  96,
 &end
#
# 86 RU H2' 7 GLY QA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1410,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 102, 103,
 &end
#
# 86 RU H2' 86 RU H5 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1410,1400, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 RU H2' 86 RU H6 1.80 3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1410,1398, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 86 RU H2' 8 LEU HN 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1410, 107, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 86 RU H3' 86 RU H6 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1408,1398, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 RU H4' 44 PHE QB 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 701, 702,
 &end
#
# 86 RU H4' 4 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1392,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 RU H5 7 GLY QA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 102, 103,
 &end
#
# 86 RU H6 7 GLY HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1398, 100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 86 RU H6 7 GLY QA 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 102, 103,
 &end
#
# 87 RA H1' 44 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 707, 711,
 &end
#
# 87 RA H1' 46 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 RA H1' 46 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 734, 738,
 &end
#
# 87 RA H1' 4 PHE QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  58,  59,
 &end
#
# 87 RA H1' 77 PHE QD 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1215,1223,
 &end
#
# 87 RA H1' 77 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1217,1221,
 &end
#
# 87 RA H1' 87 RA H8 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1425,1428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 RA H2 46 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437, 736, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 RA H2 46 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 732, 740,
 &end
#
# 87 RA H2 46 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 734, 738,
 &end
#
# 87 RA H2 76 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 RA H2 76 ALA QB 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1201,1202,1203,
 &end
#
# 87 RA H2 77 PHE HN 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,1207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 87 RA H2 77 PHE QD 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1215,1223,
 &end
#
# 87 RA H2' 87 RA H8 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1428, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 87 RA H3' 87 RA H8 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1428, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 RA H4' 44 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422, 709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 RA H4' 44 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 707, 711,
 &end
#
# 87 RA H4' 46 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1422, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 87 RA H8 4 PHE HZ 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1428,  66, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 87 RA H8 77 PHE QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1217,1221,
 &end
#
# 87 RA Q6 74 LYS QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1433,1434,
 igr2=1163,1164,
 &end
#
# 87 RA Q6 74 LYS 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=1433,1434,
 igr2=1169,1170,
 &end
#
# 87 RA Q6 74 LYS QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1433,1434,
 igr2=1172,1173,
 &end
#
# 87 RA Q6 74 LYS QG 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=1433,1434,
 igr2=1166,1167,
 &end
#
# 87 RA Q6 76 ALA HA 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1433,1434,
 &end
#
# 87 RA Q6 76 ALA QB 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1433,1434,
 igr2=1201,1202,1203,
 &end
#
# 87 RA Q6 77 PHE HN 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1433,1434,
 &end
#
# 88 RG H1' 31 LEU QD1 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 483, 484, 485,
 &end
#
# 88 RG H1' 33 MET QE 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1458,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 520, 521, 522,
 &end
#
# 88 RG H1' 88 RG H8 1.80 2.80
 &rst
  ixpk= 0, nxpk= 0, iat=1458,1461, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88 RG H2' 33 MET QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 520, 521, 522,
 &end
#
# 88 RG H2' 44 PHE HA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1477, 699, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 88 RG H2' 46 PHE HZ 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1477, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 88 RG H2' 46 PHE QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1477,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 732, 740,
 &end
#
# 88 RG H2' 46 PHE QE 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1477,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 734, 738,
 &end
#
# 88 RG H2' 89 RU H5 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1477,1497, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88 RG H2' 89 RU H6 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1477,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 88 RG H3' 33 MET QE 4.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1475,  -1, r1= 4.00, r2= 4.50, r3=120.09, r4=120.59,
 igr2= 520, 521, 522,
 &end
#
# 88 RG H8 31 LEU QD1 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 483, 484, 485,
 &end
#
# 88 RG H8 31 LEU QD2 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 487, 488, 489,
 &end
#
# 88 RG H8 33 MET QE 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 520, 521, 522,
 &end
#
# 88 RG H8 46 PHE HZ 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 88 RG H8 46 PHE QD 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 732, 740,
 &end
#
# 88 RG H8 46 PHE QE 1.80 4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1461,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 734, 738,
 &end
#
# 88 RG H8 88 RG H3' 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1461,1475, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H1' 46 PHE HZ 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H1' 46 PHE QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 732, 740,
 &end
#
# 89 RU H1' 46 PHE QE 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 734, 738,
 &end
#
# 89 RU H1' 77 PHE HA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,1209, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H1' 77 PHE HZ 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,1219, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H1' 77 PHE QB 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=1211,1212,
 &end
#
# 89 RU H1' 77 PHE QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=1215,1223,
 &end
#
# 89 RU H1' 77 PHE QE 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1492,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=1217,1221,
 &end
#
# 89 RU H1' 89 RU H6 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1492,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 RU H2' 46 PHE HZ 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1507, 736, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H2' 46 PHE QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 732, 740,
 &end
#
# 89 RU H2' 46 PHE QE 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1507,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2= 734, 738,
 &end
#
# 89 RU H2' 88 RG H8 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1461, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 RU H2' 89 RU H6 1.80 3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1507,1495, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 89 RU H3' 89 RU H6 1.80 5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1505,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 RU H5 81 ALA HA 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1291, r1= 5.00, r2= 5.50, r3=100.00, r4=100.50,  &end
#
# 89 RU H6 33 MET QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 520, 521, 522,
 &end
#
# 89 RU H6 33 MET QE 1.80 5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 520, 521, 522,
 &end
#
# 89 RU H6 79 ARG QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=1251,1252,
 &end
#
# 89 RU H6 80 ARG QD 5.50 100
 &rst
  ixpk= 0, nxpk= 0, iat=1495,  -1, r1= 5.00, r2= 5.50, r3=112.25, r4=112.75,
 igr2=1275,1276,
 &end
# 1511 atoms read from pdb file leap.pdb.
# 5 ILE CHI1:  (5 ILE N)-(5 ILE CA)-(5 ILE CB)-(5 ILE CG1) 270.0 330.0
 &rst     iat =    73,    75,    77,    83,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 8 LEU CHI1:  (8 LEU N)-(8 LEU CA)-(8 LEU CB)-(8 LEU CG) 270.0 330.0
 &rst     iat =   106,   108,   110,   113,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end
# 10 TRP CHI1:  (10 TRP N)-(10 TRP CA)-(10 TRP CB)-(10 TRP CG) 270.0 330.0
 &rst     iat =   136,   138,   140,   143,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end
# 27 VAL CHI1:  (27 VAL N)-(27 VAL CA)-(27 VAL CB)-(27 VAL CG1) 270.0 330.0
 &rst     iat =   409,   411,   413,   415,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 &end
# 32 VAL CHI1:  (32 VAL N)-(32 VAL CA)-(32 VAL CB)-(32 VAL CG1) 150.0 210.0
 &rst     iat =   492,   494,   496,   498,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 47 VAL CHI1:  (47 VAL N)-(47 VAL CA)-(47 VAL CB)-(47 VAL CG1) 150.0 210.0
 &rst     iat =   743,   745,   747,   749,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 55 VAL CHI1:  (55 VAL N)-(55 VAL CA)-(55 VAL CB)-(55 VAL CG1) 150.0 210.0
 &rst     iat =   856,   858,   860,   862,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 58 VAL CHI1:  (58 VAL N)-(58 VAL CA)-(58 VAL CB)-(58 VAL CG1) 150.0 210.0
 &rst     iat =   906,   908,   910,   912,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 77 PHE CHI1:  (77 PHE N)-(77 PHE CA)-(77 PHE CB)-(77 PHE CG) 250.0 330.0
 &rst     iat =  1206,  1208,  1210,  1213,
   r1 = 249.0, r2 = 250.0, r3 = 330.0, r4 = 331.0,
 &end
# 85 RG CHI:  (85 RG5 O4')-(85 RG5 C1')-(85 RG5 N9)-(85 RG5 C4) 120.0 300.0
 &rst     iat =  1359,  1360,  1362,  1376,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end
# 85 RG NU0:  (85 RG5 C4')-(85 RG5 O4')-(85 RG5 C1')-(85 RG5 C2') -37.3  -7.3
 &rst     iat =  1357,  1359,  1360,  1379,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 85 RG NU1:  (85 RG5 O4')-(85 RG5 C1')-(85 RG5 C2')-(85 RG5 C3')  19.8  49.8
 &rst     iat =  1359,  1360,  1379,  1377,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end
# 85 RG NU2:  (85 RG5 C1')-(85 RG5 C2')-(85 RG5 C3')-(85 RG5 C4') -49.0 -19.0
 &rst     iat =  1360,  1379,  1377,  1357,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end
# 85 RG NU3:  (85 RG5 C2')-(85 RG5 C3')-(85 RG5 C4')-(85 RG5 O4')   5.2  35.2
 &rst     iat =  1379,  1377,  1357,  1359,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end
# 85 RG NU4:  (85 RG5 C3')-(85 RG5 C4')-(85 RG5 O4')-(85 RG5 C1') -13.7  16.3
 &rst     iat =  1377,  1357,  1359,  1360,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end
# 86 RU CHI:  (86 RU O4')-(86 RU C1')-(86 RU N1)-(86 RU C2) 120.0 300.0
 &rst     iat =  1393,  1394,  1396,  1405,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end
# 86 RU NU0:  (86 RU C4')-(86 RU O4')-(86 RU C1')-(86 RU C2') -37.3  -7.3
 &rst     iat =  1391,  1393,  1394,  1409,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 86 RU NU1:  (86 RU O4')-(86 RU C1')-(86 RU C2')-(86 RU C3')  19.8  49.8
 &rst     iat =  1393,  1394,  1409,  1407,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end
# 86 RU NU2:  (86 RU C1')-(86 RU C2')-(86 RU C3')-(86 RU C4') -49.0 -19.0
 &rst     iat =  1394,  1409,  1407,  1391,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end
# 86 RU NU3:  (86 RU C2')-(86 RU C3')-(86 RU C4')-(86 RU O4')   5.2  35.2
 &rst     iat =  1409,  1407,  1391,  1393,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end
# 86 RU NU4:  (86 RU C3')-(86 RU C4')-(86 RU O4')-(86 RU C1') -13.7  16.3
 &rst     iat =  1407,  1391,  1393,  1394,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end
# 87 RA CHI:  (87 RA O4')-(87 RA C1')-(87 RA N9)-(87 RA C4) 120.0 300.0
 &rst     iat =  1423,  1424,  1426,  1439,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end
# 87 RA NU0:  (87 RA C4')-(87 RA O4')-(87 RA C1')-(87 RA C2') -37.3  -7.3
 &rst     iat =  1421,  1423,  1424,  1442,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 87 RA NU1:  (87 RA O4')-(87 RA C1')-(87 RA C2')-(87 RA C3')  19.8  49.8
 &rst     iat =  1423,  1424,  1442,  1440,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end
# 87 RA NU2:  (87 RA C1')-(87 RA C2')-(87 RA C3')-(87 RA C4') -49.0 -19.0
 &rst     iat =  1424,  1442,  1440,  1421,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end
# 87 RA NU3:  (87 RA C2')-(87 RA C3')-(87 RA C4')-(87 RA O4')   5.2  35.2
 &rst     iat =  1442,  1440,  1421,  1423,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end
# 87 RA NU4:  (87 RA C3')-(87 RA C4')-(87 RA O4')-(87 RA C1') -13.7  16.3
 &rst     iat =  1440,  1421,  1423,  1424,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end
# 88 RG CHI:  (88 RG O4')-(88 RG C1')-(88 RG N9)-(88 RG C4) -30.0  90.0
 &rst     iat =  1456,  1457,  1459,  1473,
   r1 = -31.0, r2 = -30.0, r3 =  90.0, r4 =  91.0,
 &end
# 89 RU CHI:  (89 RU3 O4')-(89 RU3 C1')-(89 RU3 N1)-(89 RU3 C2) 120.0 300.0
 &rst     iat =  1490,  1491,  1493,  1502,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end
# 89 RU NU0:  (89 RU3 C4')-(89 RU3 O4')-(89 RU3 C1')-(89 RU3 C2') -37.3  -7.3
 &rst     iat =  1488,  1490,  1491,  1506,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 89 RU NU1:  (89 RU3 O4')-(89 RU3 C1')-(89 RU3 C2')-(89 RU3 C3')  19.8  49.8
 &rst     iat =  1490,  1491,  1506,  1504,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end
# 89 RU NU2:  (89 RU3 C1')-(89 RU3 C2')-(89 RU3 C3')-(89 RU3 C4') -49.0 -19.0
 &rst     iat =  1491,  1506,  1504,  1488,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end
# 89 RU NU3:  (89 RU3 C2')-(89 RU3 C3')-(89 RU3 C4')-(89 RU3 O4')   5.2  35.2
 &rst     iat =  1506,  1504,  1488,  1490,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end
# 89 RU NU4:  (89 RU3 C3')-(89 RU3 C4')-(89 RU3 O4')-(89 RU3 C1') -13.7  16.3
 &rst     iat =  1504,  1488,  1490,  1491,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    CYS  20           1H       CYS  20  11.232  -5.544   6.199
    2    HA   CYS  20           HA       CYS  20   9.049  -6.449   5.759
    3    HB2  CYS  20           1HB      CYS  20   7.139  -5.793   7.205
    4    HB3  CYS  20           2HB      CYS  20   8.321  -6.719   8.108
    5    HG   CYS  20           HG       CYS  20   7.266  -4.768   9.584
    6    H    LYS  21           H        LYS  21   6.986  -4.582   5.692
    7    HA   LYS  21           HA       LYS  21   6.170  -2.728   4.784
    8    HB2  LYS  21           1HB      LYS  21   7.985  -1.390   5.809
    9    HB3  LYS  21           2HB      LYS  21   8.914  -1.535   4.307
   10    HG2  LYS  21           1HG      LYS  21   7.276  -0.333   3.048
   11    HG3  LYS  21           2HG      LYS  21   6.049  -0.523   4.299
   12    HD2  LYS  21           1HD      LYS  21   7.390   0.960   5.810
   13    HD3  LYS  21           2HD      LYS  21   8.533   1.227   4.475
   14    HE2  LYS  21           1HE      LYS  21   6.758   2.143   3.072
   15    HE3  LYS  21           2HE      LYS  21   5.521   1.729   4.270
   16    HZ1  LYS  21           3HZ      LYS  21   6.359   4.102   4.189
   17    HZ2  LYS  21           1HZ      LYS  21   6.236   3.418   5.679
   18    HZ3  LYS  21           2HZ      LYS  21   7.711   3.581   4.940
   19    H    MET  22           H        MET  22   5.284  -2.344   2.914
   20    HA   MET  22           HA       MET  22   6.403  -3.525   0.418
   21    HB2  MET  22           1HB      MET  22   3.690  -4.123   1.685
   22    HB3  MET  22           2HB      MET  22   4.212  -4.645   0.082
   23    HG2  MET  22           1HG      MET  22   6.147  -5.856   1.192
   24    HG3  MET  22           2HG      MET  22   5.436  -5.430   2.744
   25    HE1  MET  22           3HE      MET  22   4.069  -8.567  -0.287
   26    HE2  MET  22           1HE      MET  22   3.979  -6.855  -0.757
   27    HE3  MET  22           2HE      MET  22   5.537  -7.572  -0.282
   28    H    PHE  23           H        PHE  23   5.814  -2.614  -1.383
   29    HA   PHE  23           HA       PHE  23   4.172  -0.144  -1.527
   30    HB2  PHE  23           1HB      PHE  23   6.223  -0.120  -2.794
   31    HB3  PHE  23           2HB      PHE  23   5.949  -1.734  -3.426
   32    HD1  PHE  23           1HD      PHE  23   4.147  -2.138  -5.160
   33    HD2  PHE  23           2HD      PHE  23   5.254   1.825  -3.889
   34    HE1  PHE  23           1HE      PHE  23   3.110  -1.207  -7.189
   35    HE2  PHE  23           2HE      PHE  23   4.191   2.744  -5.911
   36    HZ   PHE  23           HZ       PHE  23   3.133   1.256  -7.584
   37    H    ILE  24           H        ILE  24   2.145  -0.159  -2.490
   38    HA   ILE  24           HA       ILE  24   0.991  -2.813  -3.309
   39    HB   ILE  24           HB       ILE  24  -0.592  -0.640  -1.918
   40   HG12  ILE  24          1HG1      ILE  24   1.071  -1.207  -0.260
   41   HG13  ILE  24          2HG1      ILE  24  -0.529  -1.749   0.181
   42   HG21  ILE  24          1HG2      ILE  24  -1.789  -2.326  -3.271
   43   HG22  ILE  24          2HG2      ILE  24  -1.070  -3.626  -2.314
   44   HG23  ILE  24          3HG2      ILE  24  -2.176  -2.465  -1.550
   45   HD11  ILE  24          3HD1      ILE  24   1.296  -3.348   0.776
   46   HD12  ILE  24          1HD1      ILE  24   0.045  -4.062  -0.245
   47   HD13  ILE  24          2HD1      ILE  24   1.609  -3.607  -0.943
   48    H    GLY  25           H        GLY  25   1.016  -2.578  -5.518
   49    HA2  GLY  25           1HA      GLY  25   0.080  -0.062  -6.797
   50    HA3  GLY  25           2HA      GLY  25   0.787  -1.482  -7.591
   51    H    GLY  26           H        GLY  26  -1.361  -0.304  -8.735
   52    HA2  GLY  26           1HA      GLY  26  -3.169  -1.077  -9.919
   53    HA3  GLY  26           2HA      GLY  26  -2.982  -2.651  -9.118
   54    H    LEU  27           H        LEU  27  -3.510   0.134  -7.098
   55    HA   LEU  27           HA       LEU  27  -5.936  -0.969  -5.946
   56    HB2  LEU  27           1HB      LEU  27  -4.690   1.796  -5.638
   57    HB3  LEU  27           2HB      LEU  27  -5.934   1.112  -4.617
   58    HG   LEU  27           HG       LEU  27  -3.064   0.099  -4.806
   59   HD11  LEU  27          1HD1      LEU  27  -3.413   2.287  -3.645
   60   HD12  LEU  27          2HD1      LEU  27  -4.595   1.529  -2.583
   61   HD13  LEU  27          3HD1      LEU  27  -2.893   1.007  -2.532
   62   HD21  LEU  27          3HD2      LEU  27  -3.819  -1.256  -2.764
   63   HD22  LEU  27          1HD2      LEU  27  -5.475  -0.991  -3.338
   64   HD23  LEU  27          2HD2      LEU  27  -4.284  -1.818  -4.368
   65    H    SER  28           H        SER  28  -7.894   0.465  -5.612
   66    HA   SER  28           HA       SER  28  -8.931   1.443  -8.217
   67    HB2  SER  28           1HB      SER  28 -10.377  -0.026  -6.972
   68    HB3  SER  28           2HB      SER  28 -10.208   0.957  -5.512
   69    HG   SER  28           HG       SER  28 -12.156   1.315  -6.635
   70    H    TRP  29           H        TRP  29  -9.725   3.595  -8.469
   71    HA   TRP  29           HA       TRP  29  -8.479   5.743  -7.019
   72    HB2  TRP  29           1HB      TRP  29 -10.940   5.716  -8.777
   73    HB3  TRP  29           2HB      TRP  29 -10.091   7.156  -8.223
   74    HD1  TRP  29           HD       TRP  29  -7.130   5.702  -8.899
   75    HE1  TRP  29           1HE      TRP  29  -6.350   5.669 -11.319
   76    HE3  TRP  29           3HE      TRP  29 -11.629   6.546 -11.198
   77    HZ2  TRP  29           2HZ      TRP  29  -7.490   6.202 -13.951
   78    HZ3  TRP  29           3HZ      TRP  29 -11.753   6.748 -13.667
   79    HH2  TRP  29           HH       TRP  29  -9.694   6.579 -15.049
   80    H    GLN  30           H        GLN  30 -11.081   3.706  -6.134
   81    HA   GLN  30           HA       GLN  30 -12.172   5.622  -4.131
   82    HB2  GLN  30           1HB      GLN  30 -13.012   2.755  -4.659
   83    HB3  GLN  30           2HB      GLN  30 -13.885   3.988  -3.753
   84    HG2  GLN  30           1HG      GLN  30 -14.088   5.314  -5.914
   85    HG3  GLN  30           2HG      GLN  30 -13.437   3.905  -6.766
   86   HE21  GLN  30          2HE2      GLN  30 -14.704   1.691  -5.958
   87   HE22  GLN  30          1HE2      GLN  30 -16.449   1.905  -6.024
   88    H    THR  31           H        THR  31  -9.574   3.381  -4.234
   89    HA   THR  31           HA       THR  31  -9.929   2.150  -1.645
   90    HB   THR  31           HB       THR  31  -7.398   2.501  -3.307
   91    HG1  THR  31           1HG      THR  31  -9.272   0.366  -3.108
   92   HG21  THR  31          3HG2      THR  31  -6.729   0.393  -2.066
   93   HG22  THR  31          1HG2      THR  31  -6.759   1.848  -1.067
   94   HG23  THR  31          2HG2      THR  31  -8.088   0.669  -0.963
   95    H    THR  32           H        THR  32  -9.234   2.718   0.313
   96    HA   THR  32           HA       THR  32  -7.602   5.189   0.709
   97    HB   THR  32           HB       THR  32  -8.757   5.549   2.821
   98    HG1  THR  32           1HG      THR  32 -10.640   4.206   3.222
   99   HG21  THR  32          3HG2      THR  32 -10.940   6.240   2.051
  100   HG22  THR  32          1HG2      THR  32  -9.773   6.538   0.751
  101   HG23  THR  32          2HG2      THR  32 -10.868   5.142   0.658
  102    H    GLN  33           H        GLN  33  -6.323   5.111   2.730
  103    HA   GLN  33           HA       GLN  33  -4.872   2.622   2.969
  104    HB2  GLN  33           1HB      GLN  33  -3.588   3.824   4.725
  105    HB3  GLN  33           2HB      GLN  33  -3.673   4.581   3.146
  106    HG2  GLN  33           1HG      GLN  33  -5.517   6.099   4.088
  107    HG3  GLN  33           2HG      GLN  33  -5.036   5.498   5.681
  108   HE21  GLN  33          2HE2      GLN  33  -3.441   6.839   6.656
  109   HE22  GLN  33          1HE2      GLN  33  -2.341   7.848   5.734
  110    H    GLU  34           H        GLU  34  -7.618   3.864   4.720
  111    HA   GLU  34           HA       GLU  34  -7.476   1.869   6.856
  112    HB2  GLU  34           1HB      GLU  34  -9.805   3.503   5.765
  113    HB3  GLU  34           2HB      GLU  34  -9.884   2.432   7.171
  114    HG2  GLU  34           1HG      GLU  34  -8.111   3.777   8.292
  115    HG3  GLU  34           2HG      GLU  34  -8.090   4.886   6.917
  116    H    GLY  35           H        GLY  35  -8.871   2.036   3.559
  117    HA2  GLY  35           1HA      GLY  35 -10.153  -0.552   3.581
  118    HA3  GLY  35           2HA      GLY  35  -9.678   0.403   2.156
  119    H    LEU  36           H        LEU  36  -6.834   0.547   2.719
  120    HA   LEU  36           HA       LEU  36  -5.879  -2.048   1.959
  121    HB2  LEU  36           1HB      LEU  36  -4.283   0.165   3.358
  122    HB3  LEU  36           2HB      LEU  36  -3.627  -1.237   2.542
  123    HG   LEU  36           HG       LEU  36  -4.979   1.150   1.266
  124   HD11  LEU  36          1HD1      LEU  36  -2.576   1.336   1.889
  125   HD12  LEU  36          2HD1      LEU  36  -2.225  -0.092   0.890
  126   HD13  LEU  36          3HD1      LEU  36  -2.827   1.392   0.134
  127   HD21  LEU  36          3HD2      LEU  36  -4.586   0.000  -0.903
  128   HD22  LEU  36          1HD2      LEU  36  -4.224  -1.500  -0.024
  129   HD23  LEU  36          2HD2      LEU  36  -5.840  -0.749   0.081
  130    H    ARG  37           H        ARG  37  -5.810  -0.483   5.223
  131    HA   ARG  37           HA       ARG  37  -4.797  -2.757   6.577
  132    HB2  ARG  37           1HB      ARG  37  -4.991  -0.532   7.584
  133    HB3  ARG  37           2HB      ARG  37  -6.757  -0.630   7.548
  134    HG2  ARG  37           1HG      ARG  37  -6.712  -2.538   9.128
  135    HG3  ARG  37           2HG      ARG  37  -4.942  -2.517   9.109
  136    HD2  ARG  37           1HD      ARG  37  -5.106  -0.097   9.918
  137    HD3  ARG  37           2HD      ARG  37  -6.838  -0.367  10.101
  138    HE   ARG  37           HE       ARG  37  -6.395  -2.085  11.769
  139   HH11  ARG  37          1HH1      ARG  37  -3.603   0.006  11.138
  140   HH12  ARG  37          2HH1      ARG  37  -2.806  -0.483  12.603
  141   HH21  ARG  37          1HH2      ARG  37  -5.332  -2.615  13.653
  142   HH22  ARG  37          2HH2      ARG  37  -3.795  -1.897  14.024
  143    H    GLU  38           H        GLU  38  -8.172  -2.007   5.720
  144    HA   GLU  38           HA       GLU  38  -9.407  -4.150   7.006
  145    HB2  GLU  38           1HB      GLU  38 -10.296  -2.062   5.514
  146    HB3  GLU  38           2HB      GLU  38 -10.471  -3.339   4.308
  147    HG2  GLU  38           1HG      GLU  38 -11.765  -4.662   6.012
  148    HG3  GLU  38           2HG      GLU  38 -11.580  -3.305   7.134
  149    H    TYR  39           H        TYR  39  -7.763  -4.149   3.838
  150    HA   TYR  39           HA       TYR  39  -8.464  -6.955   3.255
  151    HB2  TYR  39           1HB      TYR  39  -8.346  -5.222   1.508
  152    HB3  TYR  39           2HB      TYR  39  -6.636  -4.975   1.843
  153    HD1  TYR  39           2HD      TYR  39  -9.137  -7.563   0.797
  154    HD2  TYR  39           1HD      TYR  39  -4.991  -6.378   0.809
  155    HE1  TYR  39           2HE      TYR  39  -8.582  -9.508  -0.645
  156    HE2  TYR  39           1HE      TYR  39  -4.429  -8.310  -0.638
  157    HH   TYR  39           HH       TYR  39  -6.928 -10.707  -1.651
  158    H    PHE  40           H        PHE  40  -5.568  -5.127   4.249
  159    HA   PHE  40           HA       PHE  40  -3.890  -7.480   4.110
  160    HB2  PHE  40           1HB      PHE  40  -3.404  -4.587   4.776
  161    HB3  PHE  40           2HB      PHE  40  -2.164  -5.778   5.056
  162    HD1  PHE  40           2HD      PHE  40  -1.755  -7.504   3.010
  163    HD2  PHE  40           1HD      PHE  40  -3.526  -3.600   2.594
  164    HE1  PHE  40           2HE      PHE  40  -1.277  -7.541   0.581
  165    HE2  PHE  40           1HE      PHE  40  -3.066  -3.648   0.171
  166    HZ   PHE  40           HZ       PHE  40  -1.932  -5.613  -0.848
  167    H    GLY  41           H        GLY  41  -5.798  -6.161   6.671
  168    HA2  GLY  41           1HA      GLY  41  -4.492  -7.303   8.921
  169    HA3  GLY  41           2HA      GLY  41  -6.229  -6.982   8.769
  170    H    GLN  42           H        GLN  42  -5.900  -8.970   6.287
  171    HA   GLN  42           HA       GLN  42  -6.698 -11.421   7.641
  172    HB2  GLN  42           1HB      GLN  42  -5.894 -10.939   4.737
  173    HB3  GLN  42           2HB      GLN  42  -6.757 -12.344   5.366
  174    HG2  GLN  42           1HG      GLN  42  -8.674 -10.866   5.997
  175    HG3  GLN  42           2HG      GLN  42  -7.813  -9.486   5.328
  176   HE21  GLN  42          2HE2      GLN  42  -7.302  -9.525   2.965
  177   HE22  GLN  42          1HE2      GLN  42  -8.373 -10.434   1.900
  178    H    PHE  43           H        PHE  43  -3.642 -10.121   6.499
  179    HA   PHE  43           HA       PHE  43  -2.279 -12.764   6.658
  180    HB2  PHE  43           1HB      PHE  43  -1.246 -10.104   5.615
  181    HB3  PHE  43           2HB      PHE  43  -0.518 -11.680   5.400
  182    HD1  PHE  43           1HD      PHE  43  -1.536 -13.335   3.813
  183    HD2  PHE  43           2HD      PHE  43  -3.165  -9.397   4.286
  184    HE1  PHE  43           1HE      PHE  43  -2.856 -13.637   1.737
  185    HE2  PHE  43           2HE      PHE  43  -4.487  -9.676   2.203
  186    HZ   PHE  43           HZ       PHE  43  -4.350 -11.816   0.935
  187    H    GLY  44           H        GLY  44  -2.488  -9.705   8.352
  188    HA2  GLY  44           1HA      GLY  44  -1.464 -10.575  10.786
  189    HA3  GLY  44           2HA      GLY  44  -0.074  -9.921   9.935
  190    H    GLU  45           H        GLU  45  -0.827  -8.727  12.266
  191    HA   GLU  45           HA       GLU  45  -2.590  -6.459  11.894
  192    HB2  GLU  45           1HB      GLU  45  -2.093  -7.421  14.098
  193    HB3  GLU  45           2HB      GLU  45  -0.397  -6.937  13.955
  194    HG2  GLU  45           1HG      GLU  45  -1.007  -4.579  13.983
  195    HG3  GLU  45           2HG      GLU  45  -2.722  -4.970  13.822
  196    H    VAL  46           H        VAL  46  -2.164  -4.556  10.863
  197    HA   VAL  46           HA       VAL  46   0.486  -4.171   9.720
  198    HB   VAL  46           HB       VAL  46  -0.344  -2.536   8.315
  199   HG11  VAL  46          1HG1      VAL  46  -1.001  -4.867   7.758
  200   HG12  VAL  46          2HG1      VAL  46  -2.581  -4.585   8.530
  201   HG13  VAL  46          3HG1      VAL  46  -2.112  -3.655   7.099
  202   HG21  VAL  46          3HG2      VAL  46  -2.647  -1.636   8.341
  203   HG22  VAL  46          1HG2      VAL  46  -2.867  -2.366   9.956
  204   HG23  VAL  46          2HG2      VAL  46  -1.654  -1.089   9.687
  205    H    LYS  47           H        LYS  47   1.933  -2.748  10.206
  206    HA   LYS  47           HA       LYS  47   1.845  -1.219  12.727
  207    HB2  LYS  47           1HB      LYS  47   3.701  -2.738  12.049
  208    HB3  LYS  47           2HB      LYS  47   4.040  -1.708  10.660
  209    HG2  LYS  47           1HG      LYS  47   4.696   0.137  12.110
  210    HG3  LYS  47           2HG      LYS  47   4.129  -0.740  13.544
  211    HD2  LYS  47           1HD      LYS  47   5.849  -2.503  13.122
  212    HD3  LYS  47           2HD      LYS  47   6.440  -1.569  11.729
  213    HE2  LYS  47           1HE      LYS  47   6.929   0.351  13.240
  214    HE3  LYS  47           2HE      LYS  47   6.318  -0.575  14.617
  215    HZ1  LYS  47           3HZ      LYS  47   8.736  -0.691  14.473
  216    HZ2  LYS  47           1HZ      LYS  47   8.110  -2.182  14.248
  217    HZ3  LYS  47           2HZ      LYS  47   8.675  -1.328  12.971
  218    H    GLU  48           H        GLU  48   1.586  -0.631   9.308
  219    HA   GLU  48           HA       GLU  48   0.907   2.173   9.620
  220    HB2  GLU  48           1HB      GLU  48   3.388   2.301   9.700
  221    HB3  GLU  48           2HB      GLU  48   3.488   1.412   8.183
  222    HG2  GLU  48           1HG      GLU  48   2.445   3.256   6.969
  223    HG3  GLU  48           2HG      GLU  48   2.155   4.125   8.483
  224    H    CYS  49           H        CYS  49  -0.163   2.942   7.767
  225    HA   CYS  49           HA       CYS  49  -0.077   1.428   5.271
  226    HB2  CYS  49           1HB      CYS  49  -2.545   1.291   5.080
  227    HB3  CYS  49           2HB      CYS  49  -1.896   0.285   6.380
  228    HG   CYS  49           HG       CYS  49  -4.308   1.655   6.761
  229    H    LEU  50           H        LEU  50  -0.525   2.685   3.472
  230    HA   LEU  50           HA       LEU  50  -1.171   5.576   3.775
  231    HB2  LEU  50           1HB      LEU  50   1.371   4.380   2.618
  232    HB3  LEU  50           2HB      LEU  50   0.840   6.007   2.254
  233    HG   LEU  50           HG       LEU  50   1.618   5.040   5.028
  234   HD11  LEU  50          1HD1      LEU  50   3.524   5.098   3.462
  235   HD12  LEU  50          2HD1      LEU  50   3.114   6.755   2.975
  236   HD13  LEU  50          3HD1      LEU  50   3.649   6.417   4.636
  237   HD21  LEU  50          3HD2      LEU  50   1.620   7.474   5.574
  238   HD22  LEU  50          1HD2      LEU  50   0.974   7.834   3.959
  239   HD23  LEU  50          2HD2      LEU  50   0.003   6.916   5.131
  240    H    VAL  51           H        VAL  51  -2.048   6.477   1.957
  241    HA   VAL  51           HA       VAL  51  -1.845   5.037  -0.663
  242    HB   VAL  51           HB       VAL  51  -4.383   6.225   0.520
  243   HG11  VAL  51          1HG1      VAL  51  -4.223   7.061  -1.788
  244   HG12  VAL  51          2HG1      VAL  51  -3.865   5.422  -2.379
  245   HG13  VAL  51          3HG1      VAL  51  -5.454   5.808  -1.682
  246   HG21  VAL  51          3HG2      VAL  51  -5.336   4.013  -0.097
  247   HG22  VAL  51          1HG2      VAL  51  -3.744   3.488  -0.677
  248   HG23  VAL  51          2HG2      VAL  51  -3.999   3.846   1.045
  249    H    MET  52           H        MET  52  -1.063   6.290  -2.198
  250    HA   MET  52           HA       MET  52  -0.175   8.998  -1.452
  251    HB2  MET  52           1HB      MET  52   0.498   7.102  -3.716
  252    HB3  MET  52           2HB      MET  52   1.235   8.703  -3.520
  253    HG2  MET  52           1HG      MET  52   1.387   6.532  -1.393
  254    HG3  MET  52           2HG      MET  52   2.596   6.799  -2.626
  255    HE1  MET  52           3HE      MET  52   2.253   8.885   1.325
  256    HE2  MET  52           1HE      MET  52   0.800   8.311   0.476
  257    HE3  MET  52           2HE      MET  52   2.113   7.173   0.863
  258    H    ARG  53           H        ARG  53  -2.693   9.316  -1.608
  259    HA   ARG  53           HA       ARG  53  -3.784   9.816  -4.209
  260    HB2  ARG  53           1HB      ARG  53  -5.784  10.575  -3.017
  261    HB3  ARG  53           2HB      ARG  53  -5.173   9.062  -2.365
  262    HG2  ARG  53           1HG      ARG  53  -4.007  10.495  -0.545
  263    HG3  ARG  53           2HG      ARG  53  -5.037  11.820  -1.116
  264    HD2  ARG  53           1HD      ARG  53  -7.047  10.546  -0.615
  265    HD3  ARG  53           2HD      ARG  53  -6.117   9.099  -0.246
  266    HE   ARG  53           HE       ARG  53  -6.598  11.380   1.494
  267   HH11  ARG  53          1HH1      ARG  53  -4.259   8.768   0.975
  268   HH12  ARG  53          2HH1      ARG  53  -3.901   8.619   2.666
  269   HH21  ARG  53          1HH2      ARG  53  -6.002  11.220   3.645
  270   HH22  ARG  53          2HH2      ARG  53  -4.810  10.056   4.139
  271    H    ASP  54           H        ASP  54  -4.475  11.703  -5.163
  272    HA   ASP  54           HA       ASP  54  -2.864  14.113  -4.795
  273    HB2  ASP  54           1HB      ASP  54  -3.556  13.269  -7.008
  274    HB3  ASP  54           2HB      ASP  54  -5.251  13.477  -6.571
  275    HA   PRO  55           HA       PRO  55  -5.858  15.533  -1.788
  276    HB2  PRO  55           1HB      PRO  55  -4.802  17.940  -1.047
  277    HB3  PRO  55           2HB      PRO  55  -3.991  16.383  -0.696
  278    HG2  PRO  55           1HG      PRO  55  -3.458  18.276  -3.011
  279    HG3  PRO  55           2HG      PRO  55  -2.268  17.542  -1.890
  280    HD2  PRO  55           1HD      PRO  55  -2.825  16.471  -4.350
  281    HD3  PRO  55           2HD      PRO  55  -2.435  15.444  -2.936
  282    H    LEU  56           H        LEU  56  -5.571  17.099  -4.878
  283    HA   LEU  56           HA       LEU  56  -7.785  19.016  -4.328
  284    HB2  LEU  56           1HB      LEU  56  -5.857  18.559  -6.631
  285    HB3  LEU  56           2HB      LEU  56  -7.369  19.403  -6.871
  286    HG   LEU  56           HG       LEU  56  -6.763  21.098  -5.191
  287   HD11  LEU  56          1HD1      LEU  56  -5.236  19.915  -3.708
  288   HD12  LEU  56          2HD1      LEU  56  -4.091  19.632  -5.044
  289   HD13  LEU  56          3HD1      LEU  56  -4.380  21.275  -4.432
  290   HD21  LEU  56          3HD2      LEU  56  -5.054  22.221  -6.568
  291   HD22  LEU  56          1HD2      LEU  56  -4.669  20.682  -7.370
  292   HD23  LEU  56          2HD2      LEU  56  -6.266  21.431  -7.587
  293    H    THR  57           H        THR  57  -7.036  16.110  -6.321
  294    HA   THR  57           HA       THR  57  -9.880  16.029  -7.229
  295    HB   THR  57           HB       THR  57  -9.112  14.597  -8.997
  296    HG1  THR  57           1HG      THR  57  -6.766  14.243  -9.092
  297   HG21  THR  57          3HG2      THR  57  -7.662  16.084 -10.226
  298   HG22  THR  57          1HG2      THR  57  -8.790  17.067  -9.279
  299   HG23  THR  57          2HG2      THR  57  -7.105  16.878  -8.739
  300    H    LYS  58           H        LYS  58  -7.895  14.516  -4.969
  301    HA   LYS  58           HA       LYS  58  -8.097  12.839  -3.527
  302    HB2  LYS  58           1HB      LYS  58 -11.022  12.964  -4.354
  303    HB3  LYS  58           2HB      LYS  58 -10.428  11.846  -3.145
  304    HG2  LYS  58           1HG      LYS  58 -11.373  13.801  -2.107
  305    HG3  LYS  58           2HG      LYS  58  -9.666  13.632  -1.704
  306    HD2  LYS  58           1HD      LYS  58  -9.059  15.469  -3.146
  307    HD3  LYS  58           2HD      LYS  58 -10.692  15.527  -3.858
  308    HE2  LYS  58           1HE      LYS  58 -11.637  16.210  -1.703
  309    HE3  LYS  58           2HE      LYS  58 -10.060  16.038  -0.917
  310    HZ1  LYS  58           3HZ      LYS  58 -10.571  18.354  -1.525
  311    HZ2  LYS  58           1HZ      LYS  58  -9.212  17.824  -2.265
  312    HZ3  LYS  58           2HZ      LYS  58 -10.612  17.955  -3.114
  313    H    ARG  59           H        ARG  59  -8.005  12.282  -6.700
  314    HA   ARG  59           HA       ARG  59  -8.368   9.465  -7.069
  315    HB2  ARG  59           1HB      ARG  59  -6.423  11.467  -8.298
  316    HB3  ARG  59           2HB      ARG  59  -6.561   9.784  -8.820
  317    HG2  ARG  59           1HG      ARG  59  -8.933  10.102  -9.385
  318    HG3  ARG  59           2HG      ARG  59  -8.860  11.793  -8.858
  319    HD2  ARG  59           1HD      ARG  59  -7.227  12.324 -10.590
  320    HD3  ARG  59           2HD      ARG  59  -7.114  10.634 -11.076
  321    HE   ARG  59           HE       ARG  59  -9.256  12.546 -11.702
  322   HH11  ARG  59          1HH1      ARG  59  -8.401   9.117 -11.698
  323   HH12  ARG  59          2HH1      ARG  59  -9.633   8.706 -12.849
  324   HH21  ARG  59          1HH2      ARG  59 -10.829  11.955 -13.193
  325   HH22  ARG  59          2HH2      ARG  59 -10.983  10.297 -13.689
  326    H    SER  60           H        SER  60  -7.316   7.767  -6.291
  327    HA   SER  60           HA       SER  60  -5.282   7.983  -4.265
  328    HB2  SER  60           1HB      SER  60  -5.461   5.564  -4.210
  329    HB3  SER  60           2HB      SER  60  -7.087   6.248  -4.416
  330    HG   SER  60           HG       SER  60  -6.828   4.582  -5.889
  331    H    ARG  61           H        ARG  61  -4.902   8.182  -7.583
  332    HA   ARG  61           HA       ARG  61  -3.304   7.817  -9.135
  333    HB2  ARG  61           1HB      ARG  61  -1.432   7.770  -6.730
  334    HB3  ARG  61           2HB      ARG  61  -0.878   7.482  -8.368
  335    HG2  ARG  61           1HG      ARG  61  -1.799   9.679  -9.090
  336    HG3  ARG  61           2HG      ARG  61  -2.273  10.006  -7.417
  337    HD2  ARG  61           1HD      ARG  61  -0.134  11.100  -7.945
  338    HD3  ARG  61           2HD      ARG  61   0.078   9.862  -6.700
  339    HE   ARG  61           HE       ARG  61   0.585   8.923  -9.435
  340   HH11  ARG  61          1HH1      ARG  61   2.231  10.465  -6.666
  341   HH12  ARG  61          2HH1      ARG  61   3.720   9.604  -7.056
  342   HH21  ARG  61          1HH2      ARG  61   2.604   7.816  -9.686
  343   HH22  ARG  61          2HH2      ARG  61   3.909   8.299  -8.621
  344    H    GLY  62           H        GLY  62  -4.558   5.436  -7.342
  345    HA2  GLY  62           1HA      GLY  62  -4.794   3.192  -7.731
  346    HA3  GLY  62           2HA      GLY  62  -3.671   3.313  -9.099
  347    H    PHE  63           H        PHE  63  -2.462   4.430  -5.958
  348    HA   PHE  63           HA       PHE  63  -1.450   1.817  -5.239
  349    HB2  PHE  63           1HB      PHE  63   0.783   1.972  -5.745
  350    HB3  PHE  63           2HB      PHE  63   0.067   2.680  -7.170
  351    HD1  PHE  63           1HD      PHE  63  -0.054   5.287  -7.276
  352    HD2  PHE  63           2HD      PHE  63   2.307   3.139  -4.381
  353    HE1  PHE  63           1HE      PHE  63   1.241   7.339  -6.788
  354    HE2  PHE  63           2HE      PHE  63   3.680   5.165  -4.004
  355    HZ   PHE  63           HZ       PHE  63   3.133   7.275  -5.158
  356    H    GLY  64           H        GLY  64  -0.081   1.727  -3.411
  357    HA2  GLY  64           1HA      GLY  64   0.245   4.035  -1.616
  358    HA3  GLY  64           2HA      GLY  64  -0.927   2.841  -1.086
  359    H    PHE  65           H        PHE  65   0.406   2.506   0.746
  360    HA   PHE  65           HA       PHE  65   2.511   0.467   0.381
  361    HB2  PHE  65           1HB      PHE  65   2.933   3.121   1.803
  362    HB3  PHE  65           2HB      PHE  65   3.887   1.706   2.163
  363    HD1  PHE  65           1HD      PHE  65   3.158   4.268  -0.452
  364    HD2  PHE  65           2HD      PHE  65   5.613   0.902   0.713
  365    HE1  PHE  65           1HE      PHE  65   4.804   4.832  -2.211
  366    HE2  PHE  65           2HE      PHE  65   7.238   1.485  -1.063
  367    HZ   PHE  65           HZ       PHE  65   6.831   3.482  -2.508
  368    H    VAL  66           H        VAL  66   2.794  -0.873   2.183
  369    HA   VAL  66           HA       VAL  66   1.241  -0.354   4.663
  370    HB   VAL  66           HB       VAL  66   0.909  -2.902   3.028
  371   HG11  VAL  66          1HG1      VAL  66   1.064  -3.571   5.382
  372   HG12  VAL  66          2HG1      VAL  66  -0.099  -2.302   5.842
  373   HG13  VAL  66          3HG1      VAL  66  -0.609  -3.681   4.848
  374   HG21  VAL  66          3HG2      VAL  66  -1.506  -2.358   3.118
  375   HG22  VAL  66          1HG2      VAL  66  -1.145  -0.852   3.985
  376   HG23  VAL  66          2HG2      VAL  66  -0.603  -1.084   2.311
  377    H    THR  67           H        THR  67   2.203  -1.101   6.466
  378    HA   THR  67           HA       THR  67   4.670  -2.803   6.266
  379    HB   THR  67           HB       THR  67   4.104  -0.711   8.400
  380    HG1  THR  67           1HG      THR  67   5.478   0.615   7.252
  381   HG21  THR  67          3HG2      THR  67   6.560  -0.896   8.784
  382   HG22  THR  67          1HG2      THR  67   5.733  -2.429   9.079
  383   HG23  THR  67          2HG2      THR  67   6.641  -2.194   7.574
  384    H    PHE  68           H        PHE  68   4.757  -4.526   7.670
  385    HA   PHE  68           HA       PHE  68   2.335  -5.090   9.320
  386    HB2  PHE  68           1HB      PHE  68   4.463  -6.855   8.073
  387    HB3  PHE  68           2HB      PHE  68   3.333  -7.429   9.283
  388    HD1  PHE  68           2HD      PHE  68   0.906  -7.534   8.868
  389    HD2  PHE  68           1HD      PHE  68   3.685  -6.447   5.758
  390    HE1  PHE  68           2HE      PHE  68  -0.806  -8.045   7.154
  391    HE2  PHE  68           1HE      PHE  68   1.973  -6.976   4.041
  392    HZ   PHE  68           HZ       PHE  68  -0.276  -7.783   4.740
  393    H    MET  69           H        MET  69   2.516  -5.838  11.441
  394    HA   MET  69           HA       MET  69   4.661  -4.848  13.096
  395    HB2  MET  69           1HB      MET  69   2.418  -6.843  13.597
  396    HB3  MET  69           2HB      MET  69   3.522  -6.284  14.854
  397    HG2  MET  69           1HG      MET  69   1.704  -4.462  13.232
  398    HG3  MET  69           2HG      MET  69   1.365  -5.087  14.841
  399    HE1  MET  69           3HE      MET  69   1.884  -1.404  15.721
  400    HE2  MET  69           1HE      MET  69   0.929  -2.238  14.472
  401    HE3  MET  69           2HE      MET  69   0.990  -2.887  16.120
  402    H    ASP  70           H        ASP  70   4.543  -7.667  11.161
  403    HA   ASP  70           HA       ASP  70   7.197  -8.446  12.046
  404    HB2  ASP  70           1HB      ASP  70   5.581  -9.753  13.549
  405    HB3  ASP  70           2HB      ASP  70   5.024 -10.568  12.081
  406    H    GLN  71           H        GLN  71   8.239  -9.845  10.544
  407    HA   GLN  71           HA       GLN  71   7.694  -9.360   7.787
  408    HB2  GLN  71           1HB      GLN  71   9.906  -9.854   8.924
  409    HB3  GLN  71           2HB      GLN  71   9.385 -11.523   9.104
  410    HG2  GLN  71           1HG      GLN  71  10.890 -11.315   7.195
  411    HG3  GLN  71           2HG      GLN  71   9.293 -11.767   6.627
  412   HE21  GLN  71          2HE2      GLN  71  10.238 -10.956   4.504
  413   HE22  GLN  71          1HE2      GLN  71  10.139  -9.231   4.193
  414    H    ALA  72           H        ALA  72   6.593 -11.953   9.933
  415    HA   ALA  72           HA       ALA  72   5.960 -13.937   8.039
  416    HB1  ALA  72           1HB      ALA  72   5.951 -14.254  10.490
  417    HB2  ALA  72           2HB      ALA  72   4.516 -13.207  10.625
  418    HB3  ALA  72           3HB      ALA  72   4.409 -14.761   9.771
  419    H    GLY  73           H        GLY  73   4.227 -10.903   8.590
  420    HA2  GLY  73           1HA      GLY  73   1.897 -11.770   6.998
  421    HA3  GLY  73           2HA      GLY  73   2.225 -10.127   7.582
  422    H    VAL  74           H        VAL  74   4.956 -10.142   6.408
  423    HA   VAL  74           HA       VAL  74   4.321  -9.202   3.718
  424    HB   VAL  74           HB       VAL  74   6.991  -9.696   5.098
  425   HG11  VAL  74          1HG1      VAL  74   7.431  -9.985   2.748
  426   HG12  VAL  74          2HG1      VAL  74   6.498  -8.534   2.333
  427   HG13  VAL  74          3HG1      VAL  74   8.019  -8.396   3.234
  428   HG21  VAL  74          3HG2      VAL  74   7.129  -7.229   5.104
  429   HG22  VAL  74          1HG2      VAL  74   5.502  -7.138   4.410
  430   HG23  VAL  74          2HG2      VAL  74   5.748  -7.817   6.036
  431    H    ASP  75           H        ASP  75   5.988 -12.073   5.108
  432    HA   ASP  75           HA       ASP  75   6.642 -13.468   2.799
  433    HB2  ASP  75           1HB      ASP  75   7.177 -14.062   5.194
  434    HB3  ASP  75           2HB      ASP  75   5.534 -14.641   5.389
  435    H    LYS  76           H        LYS  76   3.478 -13.599   4.511
  436    HA   LYS  76           HA       LYS  76   2.251 -15.498   2.758
  437    HB2  LYS  76           1HB      LYS  76   1.042 -13.279   4.456
  438    HB3  LYS  76           2HB      LYS  76   0.139 -14.614   3.704
  439    HG2  LYS  76           1HG      LYS  76   1.118 -16.261   5.095
  440    HG3  LYS  76           2HG      LYS  76   2.371 -15.154   5.679
  441    HD2  LYS  76           1HD      LYS  76   0.570 -13.698   6.656
  442    HD3  LYS  76           2HD      LYS  76  -0.644 -14.899   6.164
  443    HE2  LYS  76           1HE      LYS  76   0.454 -16.582   7.598
  444    HE3  LYS  76           2HE      LYS  76   1.708 -15.401   8.029
  445    HZ1  LYS  76           3HZ      LYS  76   0.053 -15.451   9.757
  446    HZ2  LYS  76           1HZ      LYS  76  -0.092 -14.010   8.980
  447    HZ3  LYS  76           2HZ      LYS  76  -1.173 -15.207   8.703
  448    H    VAL  77           H        VAL  77   2.389 -11.943   2.581
  449    HA   VAL  77           HA       VAL  77   0.458 -11.744   0.444
  450    HB   VAL  77           HB       VAL  77   2.533  -9.756   1.413
  451   HG11  VAL  77          1HG1      VAL  77   1.940  -9.115  -0.892
  452   HG12  VAL  77          2HG1      VAL  77   0.212  -9.268  -0.507
  453   HG13  VAL  77          3HG1      VAL  77   1.197  -8.006   0.260
  454   HG21  VAL  77          3HG2      VAL  77   0.611  -8.677   2.518
  455   HG22  VAL  77          1HG2      VAL  77  -0.510  -9.848   1.790
  456   HG23  VAL  77          2HG2      VAL  77   0.645 -10.375   3.012
  457    H    LEU  78           H        LEU  78   3.996 -12.193   0.491
  458    HA   LEU  78           HA       LEU  78   4.311 -11.928  -2.407
  459    HB2  LEU  78           1HB      LEU  78   6.038 -13.297  -0.313
  460    HB3  LEU  78           2HB      LEU  78   6.551 -12.837  -1.932
  461    HG   LEU  78           HG       LEU  78   5.648 -10.820   0.176
  462   HD11  LEU  78          1HD1      LEU  78   7.514 -12.104   0.972
  463   HD12  LEU  78          2HD1      LEU  78   8.405 -11.865  -0.548
  464   HD13  LEU  78          3HD1      LEU  78   8.085 -10.475   0.525
  465   HD21  LEU  78          3HD2      LEU  78   6.847  -9.198  -1.245
  466   HD22  LEU  78          1HD2      LEU  78   7.127 -10.465  -2.460
  467   HD23  LEU  78          2HD2      LEU  78   5.469  -9.928  -2.076
  468    H    ALA  79           H        ALA  79   3.933 -14.635  -0.122
  469    HA   ALA  79           HA       ALA  79   4.357 -16.695  -2.004
  470    HB1  ALA  79           1HB      ALA  79   4.578 -16.960   0.434
  471    HB2  ALA  79           2HB      ALA  79   2.822 -16.743   0.633
  472    HB3  ALA  79           3HB      ALA  79   3.455 -18.164  -0.224
  473    H    GLN  80           H        GLN  80   1.397 -14.894  -1.368
  474    HA   GLN  80           HA       GLN  80  -0.343 -16.813  -2.749
  475    HB2  GLN  80           1HB      GLN  80  -1.115 -15.523  -0.813
  476    HB3  GLN  80           2HB      GLN  80  -0.861 -14.010  -1.686
  477    HG2  GLN  80           1HG      GLN  80  -2.584 -14.595  -3.310
  478    HG3  GLN  80           2HG      GLN  80  -2.744 -16.219  -2.640
  479   HE21  GLN  80          2HE2      GLN  80  -4.416 -13.419  -2.789
  480   HE22  GLN  80          1HE2      GLN  80  -5.236 -13.519  -1.228
  481    H    SER  81           H        SER  81  -1.159 -16.657  -4.829
  482    HA   SER  81           HA       SER  81   0.624 -15.307  -6.677
  483    HB2  SER  81           1HB      SER  81  -0.274 -17.687  -6.771
  484    HB3  SER  81           2HB      SER  81  -1.798 -16.996  -7.350
  485    HG   SER  81           HG       SER  81  -0.378 -17.656  -9.063
  486    H    ARG  82           H        ARG  82  -2.422 -14.322  -5.416
  487    HA   ARG  82           HA       ARG  82  -2.579 -12.033  -7.215
  488    HB2  ARG  82           1HB      ARG  82  -3.682 -13.774  -8.588
  489    HB3  ARG  82           2HB      ARG  82  -4.816 -14.112  -7.273
  490    HG2  ARG  82           1HG      ARG  82  -5.762 -11.861  -7.454
  491    HG3  ARG  82           2HG      ARG  82  -4.521 -11.397  -8.633
  492    HD2  ARG  82           1HD      ARG  82  -5.455 -12.988 -10.254
  493    HD3  ARG  82           2HD      ARG  82  -6.651 -13.534  -9.074
  494    HE   ARG  82           HE       ARG  82  -6.594 -10.958 -10.535
  495   HH11  ARG  82          1HH1      ARG  82  -8.329 -12.812  -8.011
  496   HH12  ARG  82          2HH1      ARG  82  -9.595 -11.586  -7.975
  497   HH21  ARG  82          1HH2      ARG  82  -8.271  -9.461 -10.243
  498   HH22  ARG  82          2HH2      ARG  82  -9.599  -9.909  -9.167
  499    H    HIS  83           H        HIS  83  -3.890 -10.382  -6.467
  500    HA   HIS  83           HA       HIS  83  -5.429 -10.715  -3.952
  501    HB2  HIS  83           1HB      HIS  83  -3.210  -8.696  -4.472
  502    HB3  HIS  83           2HB      HIS  83  -4.355  -8.588  -3.129
  503    HD1  HIS  83           1HD      HIS  83  -4.099 -10.540  -1.210
  504    HD2  HIS  83           2HD      HIS  83  -1.147 -10.339  -4.196
  505    HE1  HIS  83           1HE      HIS  83  -2.103 -11.891  -0.348
  506    H    GLU  84           H        GLU  84  -7.028  -9.006  -3.636
  507    HA   GLU  84           HA       GLU  84  -7.674  -7.246  -5.913
  508    HB2  GLU  84           1HB      GLU  84  -8.500  -9.547  -6.518
  509    HB3  GLU  84           2HB      GLU  84  -9.519  -9.515  -5.075
  510    HG2  GLU  84           1HG      GLU  84 -10.602  -7.401  -6.020
  511    HG3  GLU  84           2HG      GLU  84  -9.676  -7.676  -7.500
  512    H    LEU  85           H        LEU  85  -8.681  -5.473  -5.241
  513    HA   LEU  85           HA       LEU  85 -10.309  -5.400  -2.782
  514    HB2  LEU  85           1HB      LEU  85  -8.064  -5.045  -1.928
  515    HB3  LEU  85           2HB      LEU  85  -7.722  -3.858  -3.192
  516    HG   LEU  85           HG       LEU  85  -9.367  -2.298  -2.185
  517   HD11  LEU  85          1HD1      LEU  85 -10.940  -3.808  -1.084
  518   HD12  LEU  85          2HD1      LEU  85  -9.652  -4.471  -0.061
  519   HD13  LEU  85          3HD1      LEU  85 -10.181  -2.793   0.154
  520   HD21  LEU  85          3HD2      LEU  85  -8.020  -1.761  -0.195
  521   HD22  LEU  85          1HD2      LEU  85  -7.278  -3.374  -0.238
  522   HD23  LEU  85          2HD2      LEU  85  -6.984  -2.222  -1.558
  523    H    ASP  86           H        ASP  86 -12.014  -4.136  -3.088
  524    HA   ASP  86           HA       ASP  86 -13.625  -3.013  -4.163
  525    HB2  ASP  86           1HB      ASP  86 -12.139  -1.115  -3.467
  526    HB3  ASP  86           2HB      ASP  86 -11.472  -1.092  -5.097
  527    H    SER  87           H        SER  87 -12.717  -5.231  -5.508
  528    HA   SER  87           HA       SER  87 -12.973  -6.401  -7.432
  529    HB2  SER  87           1HB      SER  87 -14.422  -3.977  -8.544
  530    HB3  SER  87           2HB      SER  87 -14.479  -5.635  -9.145
  531    HG   SER  87           HG       SER  87 -15.369  -4.754  -6.578
  532    H    LYS  88           H        LYS  88 -10.608  -4.442  -7.147
  533    HA   LYS  88           HA       LYS  88  -9.656  -4.525  -9.992
  534    HB2  LYS  88           1HB      LYS  88  -9.352  -2.491  -7.769
  535    HB3  LYS  88           2HB      LYS  88  -8.048  -2.672  -8.928
  536    HG2  LYS  88           1HG      LYS  88 -10.880  -2.297  -9.942
  537    HG3  LYS  88           2HG      LYS  88  -9.957  -0.913  -9.344
  538    HD2  LYS  88           1HD      LYS  88  -8.191  -1.248 -10.936
  539    HD3  LYS  88           2HD      LYS  88  -8.882  -2.783 -11.495
  540    HE2  LYS  88           1HE      LYS  88 -10.779  -1.696 -12.486
  541    HE3  LYS  88           2HE      LYS  88 -10.418  -0.162 -11.702
  542    HZ1  LYS  88           3HZ      LYS  88  -9.688  -0.153 -14.022
  543    HZ2  LYS  88           1HZ      LYS  88  -8.371  -0.037 -13.060
  544    HZ3  LYS  88           2HZ      LYS  88  -8.735  -1.456 -13.786
  545    H    THR  89           H        THR  89  -7.909  -5.735 -10.378
  546    HA   THR  89           HA       THR  89  -6.714  -7.454  -8.392
  547    HB   THR  89           HB       THR  89  -5.646  -6.757 -11.160
  548    HG1  THR  89           1HG      THR  89  -6.984  -8.266 -11.934
  549   HG21  THR  89          3HG2      THR  89  -4.758  -9.100 -11.023
  550   HG22  THR  89          1HG2      THR  89  -4.058  -8.041  -9.790
  551   HG23  THR  89          2HG2      THR  89  -5.332  -9.191  -9.338
  552    H    ILE  90           H        ILE  90  -5.223  -6.857  -6.908
  553    HA   ILE  90           HA       ILE  90  -3.628  -4.379  -7.423
  554    HB   ILE  90           HB       ILE  90  -3.305  -4.113  -5.105
  555   HG12  ILE  90          1HG1      ILE  90  -4.840  -6.658  -4.559
  556   HG13  ILE  90          2HG1      ILE  90  -3.086  -6.441  -4.406
  557   HG21  ILE  90          1HG2      ILE  90  -5.483  -3.347  -6.164
  558   HG22  ILE  90          2HG2      ILE  90  -6.253  -4.810  -5.518
  559   HG23  ILE  90          3HG2      ILE  90  -5.601  -3.599  -4.422
  560   HD11  ILE  90          3HD1      ILE  90  -3.947  -6.203  -2.223
  561   HD12  ILE  90          1HD1      ILE  90  -3.544  -4.557  -2.774
  562   HD13  ILE  90          2HD1      ILE  90  -5.238  -5.109  -2.752
  563    H    ASP  91           H        ASP  91  -1.439  -4.296  -6.760
  564    HA   ASP  91           HA       ASP  91   0.051  -6.857  -7.222
  565    HB2  ASP  91           1HB      ASP  91  -0.215  -5.591  -9.289
  566    HB3  ASP  91           2HB      ASP  91   0.438  -4.144  -8.521
  567    HA   PRO  92           HA       PRO  92   1.954  -4.751  -3.638
  568    HB2  PRO  92           1HB      PRO  92   1.600  -6.677  -1.718
  569    HB3  PRO  92           2HB      PRO  92   0.403  -5.424  -2.129
  570    HG2  PRO  92           1HG      PRO  92   0.304  -8.319  -2.775
  571    HG3  PRO  92           2HG      PRO  92  -1.023  -7.104  -2.686
  572    HD2  PRO  92           1HD      PRO  92   0.330  -8.095  -5.029
  573    HD3  PRO  92           2HD      PRO  92  -0.980  -6.901  -4.904
  574    H    LYS  93           H        LYS  93   4.019  -4.911  -2.941
  575    HA   LYS  93           HA       LYS  93   5.703  -7.289  -3.353
  576    HB2  LYS  93           1HB      LYS  93   7.050  -6.301  -5.118
  577    HB3  LYS  93           2HB      LYS  93   5.366  -6.285  -5.624
  578    HG2  LYS  93           1HG      LYS  93   5.325  -3.847  -4.661
  579    HG3  LYS  93           2HG      LYS  93   7.077  -3.969  -4.637
  580    HD2  LYS  93           1HD      LYS  93   6.411  -2.817  -6.632
  581    HD3  LYS  93           2HD      LYS  93   7.050  -4.401  -7.108
  582    HE2  LYS  93           1HE      LYS  93   4.776  -5.273  -7.399
  583    HE3  LYS  93           2HE      LYS  93   4.073  -3.800  -6.731
  584    HZ1  LYS  93           3HZ      LYS  93   4.021  -3.903  -9.161
  585    HZ2  LYS  93           1HZ      LYS  93   4.851  -2.583  -8.650
  586    HZ3  LYS  93           2HZ      LYS  93   5.654  -3.893  -9.239
  587    H    VAL  94           H        VAL  94   8.054  -6.769  -2.815
  588    HA   VAL  94           HA       VAL  94   8.169  -5.488  -0.242
  589    HB   VAL  94           HB       VAL  94  10.471  -6.351  -2.040
  590   HG11  VAL  94          1HG1      VAL  94  11.315  -4.781  -0.350
  591   HG12  VAL  94          2HG1      VAL  94  10.438  -5.647   0.934
  592   HG13  VAL  94          3HG1      VAL  94  11.795  -6.419   0.086
  593   HG21  VAL  94          3HG2      VAL  94  10.534  -8.346  -0.528
  594   HG22  VAL  94          1HG2      VAL  94   9.046  -7.775   0.257
  595   HG23  VAL  94          2HG2      VAL  94   9.039  -8.254  -1.455
  596    H    ALA  95           H        ALA  95   8.784  -3.492   0.412
  597    HA   ALA  95           HA       ALA  95   8.740  -1.352  -1.567
  598    HB1  ALA  95           1HB      ALA  95   7.506  -1.184   0.548
  599    HB2  ALA  95           2HB      ALA  95   9.018  -1.336   1.467
  600    HB3  ALA  95           3HB      ALA  95   8.733   0.091   0.453
  601    H    PHE  96           H        PHE  96  10.391  -0.163  -2.359
  602    HA   PHE  96           HA       PHE  96  13.157  -0.651  -1.858
  603    HB2  PHE  96           1HB      PHE  96  11.875   1.917  -2.858
  604    HB3  PHE  96           2HB      PHE  96  13.545   1.434  -3.081
  605    HD1  PHE  96           2HD      PHE  96  12.812  -1.568  -3.917
  606    HD2  PHE  96           1HD      PHE  96  11.476   2.344  -5.165
  607    HE1  PHE  96           2HE      PHE  96  12.217  -2.472  -6.141
  608    HE2  PHE  96           1HE      PHE  96  10.881   1.431  -7.386
  609    HZ   PHE  96           HZ       PHE  96  11.248  -0.982  -7.882
  610    HA   PRO  97           HA       PRO  97  13.435   1.084   2.132
  611    HB2  PRO  97           1HB      PRO  97  16.121   1.536   2.470
  612    HB3  PRO  97           2HB      PRO  97  15.393  -0.097   2.355
  613    HG2  PRO  97           1HG      PRO  97  16.664   1.533   0.131
  614    HG3  PRO  97           2HG      PRO  97  16.999  -0.174   0.579
  615    HD2  PRO  97           1HD      PRO  97  15.287   0.431  -1.432
  616    HD3  PRO  97           2HD      PRO  97  14.915  -0.903  -0.296
  617    H    ARG  98           H        ARG  98  13.223   2.894   3.196
  618    HA   ARG  98           HA       ARG  98  14.338   5.480   2.397
  619    HB2  ARG  98           1HB      ARG  98  11.372   4.797   2.413
  620    HB3  ARG  98           2HB      ARG  98  11.908   6.436   2.669
  621    HG2  ARG  98           1HG      ARG  98  12.498   4.855   0.148
  622    HG3  ARG  98           2HG      ARG  98  11.142   5.944   0.395
  623    HD2  ARG  98           1HD      ARG  98  12.758   7.097  -0.891
  624    HD3  ARG  98           2HD      ARG  98  12.615   7.866   0.674
  625    HE   ARG  98           HE       ARG  98  14.856   6.071  -0.185
  626   HH11  ARG  98          1HH1      ARG  98  13.797   8.715   1.962
  627   HH12  ARG  98          2HH1      ARG  98  15.437   9.127   2.366
  628   HH21  ARG  98          1HH2      ARG  98  16.912   6.649   0.433
  629   HH22  ARG  98          2HH2      ARG  98  17.165   7.940   1.568
  630    H    ARG  99           H        ARG  99  13.688   7.203   3.985
  631    HA   ARG  99           HA       ARG  99  13.709   6.097   6.774
  632    HB2  ARG  99           1HB      ARG  99  15.172   8.545   5.712
  633    HB3  ARG  99           2HB      ARG  99  15.179   7.962   7.371
  634    HG2  ARG  99           1HG      ARG  99  16.413   6.620   4.934
  635    HG3  ARG  99           2HG      ARG  99  17.252   7.362   6.288
  636    HD2  ARG  99           1HD      ARG  99  15.635   4.790   6.325
  637    HD3  ARG  99           2HD      ARG  99  17.376   4.953   6.468
  638    HE   ARG  99           HE       ARG  99  16.996   6.174   8.619
  639   HH11  ARG  99          1HH1      ARG  99  14.507   3.869   7.565
  640   HH12  ARG  99          2HH1      ARG  99  13.964   3.597   9.194
  641   HH21  ARG  99          1HH2      ARG  99  16.221   5.783  10.671
  642   HH22  ARG  99          2HH2      ARG  99  14.911   4.669  10.918
  643    H    ALA 100           H        ALA 100  11.955   6.600   7.857
  644    HA   ALA 100           HA       ALA 100  10.070   8.630   7.113
  645    HB1  ALA 100           1HB      ALA 100   9.449   6.578   8.335
  646    HB2  ALA 100           2HB      ALA 100  10.415   7.104   9.736
  647    HB3  ALA 100           3HB      ALA 100   8.978   8.024   9.246
  648    H    GLN 101           H        GLN 101   9.618  10.633   8.025
  649    HA   GLN 101           HA       GLN 101  11.952  11.970   9.312
  650    HB2  GLN 101           1HB      GLN 101   9.724  13.088   7.565
  651    HB3  GLN 101           2HB      GLN 101  11.073  14.009   8.228
  652    HG2  GLN 101           1HG      GLN 101  11.266  11.734   6.198
  653    HG3  GLN 101           2HG      GLN 101  11.459  13.445   5.865
  654   HE21  GLN 101          2HE2      GLN 101  13.275  10.699   6.179
  655   HE22  GLN 101          1HE2      GLN 101  14.752  11.442   6.789
  656    HA   PRO 102           HA       PRO 102   9.231  12.653  12.804
  657    HB2  PRO 102           1HB      PRO 102  10.786  14.239  14.371
  658    HB3  PRO 102           2HB      PRO 102  11.192  12.524  14.047
  659    HG2  PRO 102           1HG      PRO 102  12.278  14.990  12.642
  660    HG3  PRO 102           2HG      PRO 102  13.198  13.611  13.326
  661    HD2  PRO 102           1HD      PRO 102  12.535  13.762  10.675
  662    HD3  PRO 102           2HD      PRO 102  12.590  12.199  11.549
  663    H    LYS 103           H        LYS 103   7.822  14.190  13.642
  664    HA   LYS 103           HA       LYS 103   7.947  17.011  13.026
  665    HB2  LYS 103           1HB      LYS 103   7.115  15.984  10.848
  666    HB3  LYS 103           2HB      LYS 103   5.725  15.375  11.725
  667    HG2  LYS 103           1HG      LYS 103   5.198  17.419  10.485
  668    HG3  LYS 103           2HG      LYS 103   4.960  17.643  12.212
  669    HD2  LYS 103           1HD      LYS 103   5.978  19.612  11.119
  670    HD3  LYS 103           2HD      LYS 103   7.009  18.955  12.390
  671    HE2  LYS 103           1HE      LYS 103   8.382  17.785  10.673
  672    HE3  LYS 103           2HE      LYS 103   7.336  18.425   9.399
  673    HZ1  LYS 103           3HZ      LYS 103   9.336  19.775   9.671
  674    HZ2  LYS 103           1HZ      LYS 103   8.029  20.670  10.057
  675    HZ3  LYS 103           2HZ      LYS 103   8.992  20.075  11.237
  676    H5'    G 104           H5'        G 104  -5.169  -0.959 -13.905
  677   H5''    G 104          H5"         G 104  -3.531  -0.535 -13.389
  678    H4'    G 104           H4'        G 104  -4.628   1.377 -14.420
  679    H3'    G 104           H3'        G 104  -3.494   1.490 -11.780
  680    H2'    G 104           H2'        G 104  -5.450   2.085 -10.722
  681   HO2'    G 104          HO2         G 104  -4.335   4.352 -11.896
  682    H1'    G 104           H1'        G 104  -6.402   3.389 -13.308
  683    H8     G 104           8H         G 104  -7.445   2.609  -9.823
  684    H1     G 104           1H         G 104 -12.416   3.230 -13.876
  685    H21    G 104           1H2        G 104 -11.628   3.192 -15.991
  686    H22    G 104           2H2        G 104  -9.906   2.993 -16.269
  687   HO5'    G 104          H5T         G 104  -4.819  -1.772 -11.816
  688    H5'    U 105           H5'        U 105  -2.173   3.007 -10.663
  689   H5''    U 105          H5"         U 105  -1.230   4.304 -11.396
  690    H4'    U 105           H4'        U 105  -0.251   3.641  -9.291
  691    H3'    U 105           H3'        U 105   1.167   3.929 -11.629
  692    H2'    U 105           H2'        U 105   1.367   1.674 -12.151
  693   HO2'    U 105          HO2         U 105   3.573   2.659 -11.210
  694    H1'    U 105           H1'        U 105   1.777   0.882  -9.284
  695    H3     U 105           3H         U 105   1.859  -3.477 -10.577
  696    H5     U 105           5H         U 105  -1.554  -1.990 -12.482
  697    H6     U 105           6H         U 105  -1.011   0.230 -11.649
  698    H5'    A 106           H5'        A 106   4.983   3.836  -8.520
  699   H5''    A 106          H5"         A 106   3.652   4.192  -7.410
  700    H4'    A 106           H4'        A 106   4.880   6.086  -6.462
  701    H3'    A 106           H3'        A 106   6.342   6.341  -8.734
  702    H2'    A 106           H2'        A 106   7.221   4.136  -8.681
  703   HO2'    A 106          HO2         A 106   9.065   5.991  -7.631
  704    H1'    A 106           H1'        A 106   7.977   4.507  -5.765
  705    H8     A 106           8H         A 106   6.921   1.923  -8.482
  706    H61    A 106           1H6        A 106   9.007  -2.133  -4.156
  707    H62    A 106           2H6        A 106   8.470  -2.041  -5.834
  708    H2     A 106           2H         A 106   9.136   1.795  -2.440
  709    H5'    G 107           H5'        G 107   7.982   8.064  -4.250
  710   H5''    G 107          H5"         G 107   7.159   6.525  -3.990
  711    H4'    G 107           H4'        G 107   5.926   8.925  -2.681
  712    H3'    G 107           H3'        G 107   8.613   7.792  -1.864
  713    H2'    G 107           H2'        G 107   7.970   8.214   0.396
  714   HO2'    G 107          HO2         G 107   7.084  10.399  -0.188
  715    H1'    G 107           H1'        G 107   5.203   7.700  -0.031
  716    H8     G 107           8H         G 107   5.134   6.197   1.992
  717    H1     G 107           1H         G 107  10.286   2.790   0.151
  718    H21    G 107           1H2        G 107  11.054   3.616  -1.767
  719    H22    G 107           2H2        G 107  10.216   4.939  -2.563
  720    H5'    U 108           H5'        U 108  10.316  12.208   0.763
  721   H5''    U 108          H5"         U 108  11.542  11.015   0.329
  722    H4'    U 108           H4'        U 108  11.545  11.201   2.673
  723    H3'    U 108           H3'        U 108  10.796   8.677   1.483
  724   HO3'    U 108          H3T         U 108  12.010   8.984   4.012
  725    H2'    U 108           H2'        U 108   8.875   8.418   2.684
  726   HO2'    U 108          HO2         U 108  10.077   6.929   3.903
  727    H1'    U 108           H1'        U 108   9.917  10.241   4.854
  728    H3     U 108           3H         U 108   5.985  10.250   7.094
  729    H5     U 108           5H         U 108   4.751   9.769   3.122
  730    H6     U 108           6H         U 108   7.090   9.899   2.424
  Start of MODEL    2
    1    H    CYS  20           1H       CYS  20  10.516  -4.084   6.567
    2    HA   CYS  20           HA       CYS  20   9.164  -6.056   6.302
    3    HB2  CYS  20           1HB      CYS  20   7.937  -5.228   8.981
    4    HB3  CYS  20           2HB      CYS  20   7.391  -6.555   7.962
    5    HG   CYS  20           HG       CYS  20   8.752  -7.435  10.080
    6    H    LYS  21           H        LYS  21   8.843  -4.399   4.530
    7    HA   LYS  21           HA       LYS  21   6.204  -3.073   4.757
    8    HB2  LYS  21           1HB      LYS  21   7.955  -1.493   5.604
    9    HB3  LYS  21           2HB      LYS  21   8.744  -1.549   4.028
   10    HG2  LYS  21           1HG      LYS  21   6.815  -0.512   2.956
   11    HG3  LYS  21           2HG      LYS  21   5.835  -0.712   4.413
   12    HD2  LYS  21           1HD      LYS  21   7.318   0.868   5.628
   13    HD3  LYS  21           2HD      LYS  21   8.285   1.079   4.159
   14    HE2  LYS  21           1HE      LYS  21   6.386   1.983   2.947
   15    HE3  LYS  21           2HE      LYS  21   5.270   1.578   4.269
   16    HZ1  LYS  21           3HZ      LYS  21   6.094   3.959   4.062
   17    HZ2  LYS  21           1HZ      LYS  21   6.101   3.302   5.568
   18    HZ3  LYS  21           2HZ      LYS  21   7.504   3.444   4.692
   19    H    MET  22           H        MET  22   5.177  -2.555   2.896
   20    HA   MET  22           HA       MET  22   6.231  -3.659   0.333
   21    HB2  MET  22           1HB      MET  22   3.528  -4.249   1.617
   22    HB3  MET  22           2HB      MET  22   4.053  -4.767   0.012
   23    HG2  MET  22           1HG      MET  22   5.993  -5.973   1.137
   24    HG3  MET  22           2HG      MET  22   5.263  -5.561   2.683
   25    HE1  MET  22           3HE      MET  22   3.931  -8.673  -0.382
   26    HE2  MET  22           1HE      MET  22   3.704  -6.963  -0.804
   27    HE3  MET  22           2HE      MET  22   5.328  -7.583  -0.428
   28    H    PHE  23           H        PHE  23   5.664  -2.659  -1.425
   29    HA   PHE  23           HA       PHE  23   4.031  -0.178  -1.456
   30    HB2  PHE  23           1HB      PHE  23   6.077  -0.048  -2.696
   31    HB3  PHE  23           2HB      PHE  23   5.853  -1.640  -3.404
   32    HD1  PHE  23           2HD      PHE  23   4.104  -2.015  -5.178
   33    HD2  PHE  23           1HD      PHE  23   5.120   1.924  -3.763
   34    HE1  PHE  23           2HE      PHE  23   3.114  -1.033  -7.214
   35    HE2  PHE  23           1HE      PHE  23   4.129   2.894  -5.811
   36    HZ   PHE  23           HZ       PHE  23   3.124   1.440  -7.540
   37    H    ILE  24           H        ILE  24   2.012  -0.169  -2.401
   38    HA   ILE  24           HA       ILE  24   0.852  -2.828  -3.211
   39    HB   ILE  24           HB       ILE  24  -0.677  -0.597  -1.849
   40   HG12  ILE  24          1HG1      ILE  24   0.948  -1.176  -0.181
   41   HG13  ILE  24          2HG1      ILE  24  -0.639  -1.766   0.255
   42   HG21  ILE  24          1HG2      ILE  24  -1.924  -2.255  -3.187
   43   HG22  ILE  24          2HG2      ILE  24  -1.248  -3.568  -2.211
   44   HG23  ILE  24          3HG2      ILE  24  -2.316  -2.361  -1.462
   45   HD11  ILE  24          3HD1      ILE  24   1.204  -3.329   0.831
   46   HD12  ILE  24          1HD1      ILE  24  -0.013  -4.054  -0.219
   47   HD13  ILE  24          2HD1      ILE  24   1.551  -3.549  -0.887
   48    H    GLY  25           H        GLY  25   0.927  -2.635  -5.430
   49    HA2  GLY  25           1HA      GLY  25   0.024  -0.129  -6.758
   50    HA3  GLY  25           2HA      GLY  25   0.794  -1.538  -7.511
   51    H    GLY  26           H        GLY  26  -1.353  -0.357  -8.702
   52    HA2  GLY  26           1HA      GLY  26  -3.111  -1.168  -9.968
   53    HA3  GLY  26           2HA      GLY  26  -2.988  -2.719  -9.113
   54    H    LEU  27           H        LEU  27  -3.484   0.098  -7.141
   55    HA   LEU  27           HA       LEU  27  -5.952  -0.945  -6.048
   56    HB2  LEU  27           1HB      LEU  27  -4.665   1.801  -5.724
   57    HB3  LEU  27           2HB      LEU  27  -5.952   1.153  -4.734
   58    HG   LEU  27           HG       LEU  27  -3.095   0.098  -4.828
   59   HD11  LEU  27          1HD1      LEU  27  -3.471   2.279  -3.659
   60   HD12  LEU  27          2HD1      LEU  27  -4.688   1.508  -2.639
   61   HD13  LEU  27          3HD1      LEU  27  -2.991   0.983  -2.548
   62   HD21  LEU  27          3HD2      LEU  27  -3.979  -1.240  -2.793
   63   HD22  LEU  27          1HD2      LEU  27  -5.582  -0.997  -3.508
   64   HD23  LEU  27          2HD2      LEU  27  -4.299  -1.819  -4.428
   65    H    SER  28           H        SER  28  -7.901   0.427  -5.749
   66    HA   SER  28           HA       SER  28  -8.942   1.521  -8.313
   67    HB2  SER  28           1HB      SER  28 -10.424   0.064  -7.035
   68    HB3  SER  28           2HB      SER  28 -10.160   1.017  -5.574
   69    HG   SER  28           HG       SER  28 -12.109   1.521  -6.529
   70    H    TRP  29           H        TRP  29  -9.525   3.746  -8.521
   71    HA   TRP  29           HA       TRP  29  -8.174   5.730  -6.951
   72    HB2  TRP  29           1HB      TRP  29 -10.471   5.822  -8.898
   73    HB3  TRP  29           2HB      TRP  29  -9.897   7.258  -8.052
   74    HD1  TRP  29           HD       TRP  29  -6.889   5.334  -8.801
   75    HE1  TRP  29           1HE      TRP  29  -5.742   6.114 -10.927
   76    HE3  TRP  29           3HE      TRP  29 -10.682   8.173 -10.755
   77    HZ2  TRP  29           2HZ      TRP  29  -6.332   7.861 -13.165
   78    HZ3  TRP  29           3HZ      TRP  29 -10.370   9.354 -12.915
   79    HH2  TRP  29           HH       TRP  29  -8.205   9.207 -14.128
   80    H    GLN  30           H        GLN  30 -10.929   3.878  -6.135
   81    HA   GLN  30           HA       GLN  30 -11.762   5.826  -4.025
   82    HB2  GLN  30           1HB      GLN  30 -13.136   3.266  -4.904
   83    HB3  GLN  30           2HB      GLN  30 -13.778   4.501  -3.828
   84    HG2  GLN  30           1HG      GLN  30 -13.264   4.754  -6.817
   85    HG3  GLN  30           2HG      GLN  30 -14.821   4.700  -6.011
   86   HE21  GLN  30          2HE2      GLN  30 -13.541   6.833  -7.796
   87   HE22  GLN  30          1HE2      GLN  30 -13.662   8.292  -6.825
   88    H    THR  31           H        THR  31  -9.491   3.359  -4.236
   89    HA   THR  31           HA       THR  31  -9.977   2.025  -1.702
   90    HB   THR  31           HB       THR  31  -7.378   2.378  -3.258
   91    HG1  THR  31           1HG      THR  31  -9.271   0.253  -3.204
   92   HG21  THR  31          3HG2      THR  31  -6.784   0.229  -2.052
   93   HG22  THR  31          1HG2      THR  31  -6.856   1.648  -1.007
   94   HG23  THR  31          2HG2      THR  31  -8.196   0.477  -1.009
   95    H    THR  32           H        THR  32  -9.313   2.555   0.307
   96    HA   THR  32           HA       THR  32  -7.744   5.058   0.764
   97    HB   THR  32           HB       THR  32  -8.948   5.344   2.861
   98    HG1  THR  32           1HG      THR  32 -10.796   3.943   3.201
   99   HG21  THR  32          3HG2      THR  32 -11.132   5.985   2.050
  100   HG22  THR  32          1HG2      THR  32  -9.943   6.342   0.786
  101   HG23  THR  32          2HG2      THR  32 -10.993   4.916   0.641
  102    H    GLN  33           H        GLN  33  -6.458   5.020   2.759
  103    HA   GLN  33           HA       GLN  33  -4.952   2.566   3.022
  104    HB2  GLN  33           1HB      GLN  33  -3.678   3.813   4.747
  105    HB3  GLN  33           2HB      GLN  33  -3.787   4.546   3.159
  106    HG2  GLN  33           1HG      GLN  33  -5.633   6.062   4.081
  107    HG3  GLN  33           2HG      GLN  33  -5.181   5.461   5.683
  108   HE21  GLN  33          2HE2      GLN  33  -3.807   7.003   6.676
  109   HE22  GLN  33          1HE2      GLN  33  -2.609   7.937   5.796
  110    H    GLU  34           H        GLU  34  -7.693   3.801   4.799
  111    HA   GLU  34           HA       GLU  34  -7.499   1.854   6.965
  112    HB2  GLU  34           1HB      GLU  34  -9.877   3.385   5.831
  113    HB3  GLU  34           2HB      GLU  34  -9.926   2.347   7.263
  114    HG2  GLU  34           1HG      GLU  34  -8.199   3.775   8.354
  115    HG3  GLU  34           2HG      GLU  34  -8.206   4.848   6.951
  116    H    GLY  35           H        GLY  35  -8.915   1.901   3.672
  117    HA2  GLY  35           1HA      GLY  35 -10.106  -0.728   3.759
  118    HA3  GLY  35           2HA      GLY  35  -9.686   0.218   2.311
  119    H    LEU  36           H        LEU  36  -6.838   0.466   2.814
  120    HA   LEU  36           HA       LEU  36  -5.809  -2.104   2.076
  121    HB2  LEU  36           1HB      LEU  36  -4.251   0.156   3.433
  122    HB3  LEU  36           2HB      LEU  36  -3.580  -1.231   2.608
  123    HG   LEU  36           HG       LEU  36  -4.998   1.123   1.351
  124   HD11  LEU  36          1HD1      LEU  36  -2.597   1.358   1.950
  125   HD12  LEU  36          2HD1      LEU  36  -2.223  -0.062   0.949
  126   HD13  LEU  36          3HD1      LEU  36  -2.863   1.409   0.195
  127   HD21  LEU  36          3HD2      LEU  36  -4.605  -0.006  -0.831
  128   HD22  LEU  36          1HD2      LEU  36  -4.205  -1.504   0.040
  129   HD23  LEU  36          2HD2      LEU  36  -5.833  -0.784   0.164
  130    H    ARG  37           H        ARG  37  -5.735  -0.496   5.315
  131    HA   ARG  37           HA       ARG  37  -4.644  -2.724   6.685
  132    HB2  ARG  37           1HB      ARG  37  -4.863  -0.494   7.658
  133    HB3  ARG  37           2HB      ARG  37  -6.627  -0.620   7.650
  134    HG2  ARG  37           1HG      ARG  37  -6.528  -2.500   9.261
  135    HG3  ARG  37           2HG      ARG  37  -4.758  -2.447   9.221
  136    HD2  ARG  37           1HD      ARG  37  -4.934  -0.026   9.980
  137    HD3  ARG  37           2HD      ARG  37  -6.666  -0.282  10.177
  138    HE   ARG  37           HE       ARG  37  -4.496  -1.224  11.902
  139   HH11  ARG  37          1HH1      ARG  37  -7.906  -1.789  11.121
  140   HH12  ARG  37          2HH1      ARG  37  -8.211  -2.571  12.643
  141   HH21  ARG  37          1HH2      ARG  37  -4.967  -2.238  13.837
  142   HH22  ARG  37          2HH2      ARG  37  -6.572  -2.823  14.150
  143    H    GLU  38           H        GLU  38  -8.050  -2.061   5.879
  144    HA   GLU  38           HA       GLU  38  -9.206  -4.210   7.238
  145    HB2  GLU  38           1HB      GLU  38 -10.190  -2.160   5.754
  146    HB3  GLU  38           2HB      GLU  38 -10.362  -3.451   4.561
  147    HG2  GLU  38           1HG      GLU  38 -11.572  -4.792   6.314
  148    HG3  GLU  38           2HG      GLU  38 -11.390  -3.418   7.417
  149    H    TYR  39           H        TYR  39  -7.660  -4.195   4.020
  150    HA   TYR  39           HA       TYR  39  -8.314  -7.004   3.465
  151    HB2  TYR  39           1HB      TYR  39  -8.207  -5.249   1.726
  152    HB3  TYR  39           2HB      TYR  39  -6.487  -5.043   2.033
  153    HD1  TYR  39           1HD      TYR  39  -9.052  -7.613   1.087
  154    HD2  TYR  39           2HD      TYR  39  -4.908  -6.438   0.908
  155    HE1  TYR  39           1HE      TYR  39  -8.567  -9.568  -0.364
  156    HE2  TYR  39           2HE      TYR  39  -4.417  -8.373  -0.562
  157    HH   TYR  39           HH       TYR  39  -6.967 -10.761  -1.466
  158    H    PHE  40           H        PHE  40  -5.431  -5.148   4.442
  159    HA   PHE  40           HA       PHE  40  -3.724  -7.473   4.268
  160    HB2  PHE  40           1HB      PHE  40  -3.276  -4.570   4.907
  161    HB3  PHE  40           2HB      PHE  40  -2.003  -5.725   5.173
  162    HD1  PHE  40           1HD      PHE  40  -1.688  -7.506   3.103
  163    HD2  PHE  40           2HD      PHE  40  -3.403  -3.570   2.741
  164    HE1  PHE  40           1HE      PHE  40  -1.331  -7.568   0.653
  165    HE2  PHE  40           2HE      PHE  40  -3.056  -3.641   0.299
  166    HZ   PHE  40           HZ       PHE  40  -2.027  -5.640  -0.758
  167    H    GLY  41           H        GLY  41  -5.555  -6.150   6.886
  168    HA2  GLY  41           1HA      GLY  41  -4.177  -7.340   9.083
  169    HA3  GLY  41           2HA      GLY  41  -5.907  -6.958   9.007
  170    H    GLN  42           H        GLN  42  -5.751  -8.929   6.488
  171    HA   GLN  42           HA       GLN  42  -6.545 -11.379   7.850
  172    HB2  GLN  42           1HB      GLN  42  -5.825 -10.879   4.926
  173    HB3  GLN  42           2HB      GLN  42  -6.665 -12.292   5.567
  174    HG2  GLN  42           1HG      GLN  42  -8.562 -10.838   6.275
  175    HG3  GLN  42           2HG      GLN  42  -7.730  -9.439   5.591
  176   HE21  GLN  42          2HE2      GLN  42  -7.208  -9.534   3.204
  177   HE22  GLN  42          1HE2      GLN  42  -8.341 -10.396   2.166
  178    H    PHE  43           H        PHE  43  -3.517 -10.115   6.604
  179    HA   PHE  43           HA       PHE  43  -2.212 -12.787   6.650
  180    HB2  PHE  43           1HB      PHE  43  -1.212 -10.125   5.575
  181    HB3  PHE  43           2HB      PHE  43  -0.480 -11.696   5.328
  182    HD1  PHE  43           2HD      PHE  43  -1.611 -13.396   3.834
  183    HD2  PHE  43           1HD      PHE  43  -3.143  -9.419   4.296
  184    HE1  PHE  43           2HE      PHE  43  -2.951 -13.679   1.770
  185    HE2  PHE  43           1HE      PHE  43  -4.492  -9.681   2.228
  186    HZ   PHE  43           HZ       PHE  43  -4.395 -11.824   0.960
  187    H    GLY  44           H        GLY  44  -2.099  -9.647   8.253
  188    HA2  GLY  44           1HA      GLY  44  -0.952 -10.601  10.653
  189    HA3  GLY  44           2HA      GLY  44   0.345  -9.893   9.707
  190    H    GLU  45           H        GLU  45  -0.404  -8.811  12.168
  191    HA   GLU  45           HA       GLU  45  -2.215  -6.578  11.897
  192    HB2  GLU  45           1HB      GLU  45  -1.641  -7.624  14.053
  193    HB3  GLU  45           2HB      GLU  45   0.024  -7.043  13.911
  194    HG2  GLU  45           1HG      GLU  45  -0.717  -4.724  14.045
  195    HG3  GLU  45           2HG      GLU  45  -2.410  -5.205  13.892
  196    H    VAL  46           H        VAL  46  -1.861  -4.604  10.977
  197    HA   VAL  46           HA       VAL  46   0.736  -4.112   9.750
  198    HB   VAL  46           HB       VAL  46  -0.201  -2.451   8.435
  199   HG11  VAL  46          1HG1      VAL  46  -0.812  -4.785   7.820
  200   HG12  VAL  46          2HG1      VAL  46  -2.367  -4.573   8.664
  201   HG13  VAL  46          3HG1      VAL  46  -1.984  -3.582   7.251
  202   HG21  VAL  46          3HG2      VAL  46  -2.521  -1.638   8.569
  203   HG22  VAL  46          1HG2      VAL  46  -2.678  -2.430  10.162
  204   HG23  VAL  46          2HG2      VAL  46  -1.514  -1.103   9.912
  205    H    LYS  47           H        LYS  47   2.149  -2.586  10.201
  206    HA   LYS  47           HA       LYS  47   2.053  -1.141  12.783
  207    HB2  LYS  47           1HB      LYS  47   3.985  -2.512  12.023
  208    HB3  LYS  47           2HB      LYS  47   4.217  -1.428  10.652
  209    HG2  LYS  47           1HG      LYS  47   4.679   0.453  12.195
  210    HG3  LYS  47           2HG      LYS  47   4.394  -0.603  13.583
  211    HD2  LYS  47           1HD      LYS  47   6.613  -0.910  11.511
  212    HD3  LYS  47           2HD      LYS  47   6.791  -0.236  13.136
  213    HE2  LYS  47           1HE      LYS  47   6.017  -2.441  14.086
  214    HE3  LYS  47           2HE      LYS  47   6.008  -3.101  12.441
  215    HZ1  LYS  47           3HZ      LYS  47   8.080  -3.609  13.586
  216    HZ2  LYS  47           1HZ      LYS  47   8.390  -2.635  12.310
  217    HZ3  LYS  47           2HZ      LYS  47   8.400  -2.026  13.829
  218    H    GLU  48           H        GLU  48   1.672  -0.489   9.387
  219    HA   GLU  48           HA       GLU  48   0.831   2.264   9.730
  220    HB2  GLU  48           1HB      GLU  48   3.219   2.681   9.855
  221    HB3  GLU  48           2HB      GLU  48   3.535   1.624   8.490
  222    HG2  GLU  48           1HG      GLU  48   2.426   3.206   6.958
  223    HG3  GLU  48           2HG      GLU  48   2.062   4.269   8.326
  224    H    CYS  49           H        CYS  49  -0.317   2.943   7.907
  225    HA   CYS  49           HA       CYS  49  -0.121   1.422   5.401
  226    HB2  CYS  49           1HB      CYS  49  -2.583   1.262   5.181
  227    HB3  CYS  49           2HB      CYS  49  -1.956   0.295   6.522
  228    HG   CYS  49           HG       CYS  49  -4.373   1.674   6.826
  229    H    LEU  50           H        LEU  50  -0.587   2.630   3.574
  230    HA   LEU  50           HA       LEU  50  -1.207   5.516   3.833
  231    HB2  LEU  50           1HB      LEU  50   1.428   4.232   3.247
  232    HB3  LEU  50           2HB      LEU  50   0.970   5.492   2.124
  233    HG   LEU  50           HG       LEU  50   1.244   5.854   5.131
  234   HD11  LEU  50          1HD1      LEU  50   3.383   5.487   3.902
  235   HD12  LEU  50          2HD1      LEU  50   2.966   6.817   2.796
  236   HD13  LEU  50          3HD1      LEU  50   3.254   7.142   4.519
  237   HD21  LEU  50          3HD2      LEU  50   1.100   8.307   4.551
  238   HD22  LEU  50          1HD2      LEU  50   0.617   7.855   2.901
  239   HD23  LEU  50          2HD2      LEU  50  -0.418   7.454   4.291
  240    H    VAL  51           H        VAL  51  -2.180   6.370   2.077
  241    HA   VAL  51           HA       VAL  51  -1.975   4.956  -0.561
  242    HB   VAL  51           HB       VAL  51  -4.485   6.154   0.670
  243   HG11  VAL  51          1HG1      VAL  51  -4.319   7.094  -1.592
  244   HG12  VAL  51          2HG1      VAL  51  -3.949   5.491  -2.261
  245   HG13  VAL  51          3HG1      VAL  51  -5.551   5.836  -1.568
  246   HG21  VAL  51          3HG2      VAL  51  -5.456   3.980  -0.033
  247   HG22  VAL  51          1HG2      VAL  51  -3.881   3.473  -0.672
  248   HG23  VAL  51          2HG2      VAL  51  -4.095   3.741   1.071
  249    H    MET  52           H        MET  52  -1.150   6.190  -2.068
  250    HA   MET  52           HA       MET  52  -0.228   8.859  -1.228
  251    HB2  MET  52           1HB      MET  52   0.617   7.137  -3.571
  252    HB3  MET  52           2HB      MET  52   1.460   8.559  -2.945
  253    HG2  MET  52           1HG      MET  52   1.141   5.831  -1.656
  254    HG3  MET  52           2HG      MET  52   2.617   6.613  -2.155
  255    HE1  MET  52           3HE      MET  52   3.036   9.370   0.614
  256    HE2  MET  52           1HE      MET  52   3.395   8.907  -1.061
  257    HE3  MET  52           2HE      MET  52   1.832   9.664  -0.665
  258    H    ARG  53           H        ARG  53  -2.660   9.322  -1.571
  259    HA   ARG  53           HA       ARG  53  -3.611   9.568  -4.265
  260    HB2  ARG  53           1HB      ARG  53  -5.670  10.384  -3.312
  261    HB3  ARG  53           2HB      ARG  53  -5.092   9.010  -2.388
  262    HG2  ARG  53           1HG      ARG  53  -4.270  10.576  -0.616
  263    HG3  ARG  53           2HG      ARG  53  -4.892  11.934  -1.581
  264    HD2  ARG  53           1HD      ARG  53  -7.166  10.804  -1.536
  265    HD3  ARG  53           2HD      ARG  53  -6.500   9.651  -0.366
  266    HE   ARG  53           HE       ARG  53  -5.909  12.173   0.669
  267   HH11  ARG  53          1HH2      ARG  53  -8.901  10.443  -0.103
  268   HH12  ARG  53          2HH2      ARG  53  -9.821  11.329   1.074
  269   HH21  ARG  53          1HH1      ARG  53  -7.157  13.272   2.172
  270   HH22  ARG  53          2HH1      ARG  53  -8.845  12.901   2.347
  271    H    ASP  54           H        ASP  54  -4.496  11.391  -5.312
  272    HA   ASP  54           HA       ASP  54  -2.899  13.837  -5.319
  273    HB2  ASP  54           1HB      ASP  54  -5.536  13.052  -6.632
  274    HB3  ASP  54           2HB      ASP  54  -4.731  14.602  -6.885
  275    HA   PRO  55           HA       PRO  55  -5.498  15.420  -1.986
  276    HB2  PRO  55           1HB      PRO  55  -4.352  17.868  -1.531
  277    HB3  PRO  55           2HB      PRO  55  -3.566  16.323  -1.088
  278    HG2  PRO  55           1HG      PRO  55  -3.104  18.003  -3.570
  279    HG3  PRO  55           2HG      PRO  55  -1.882  17.287  -2.476
  280    HD2  PRO  55           1HD      PRO  55  -2.643  16.092  -4.824
  281    HD3  PRO  55           2HD      PRO  55  -2.195  15.139  -3.376
  282    H    LEU  56           H        LEU  56  -5.270  16.937  -5.138
  283    HA   LEU  56           HA       LEU  56  -7.415  18.875  -4.660
  284    HB2  LEU  56           1HB      LEU  56  -5.843  17.928  -7.091
  285    HB3  LEU  56           2HB      LEU  56  -7.260  18.933  -7.268
  286    HG   LEU  56           HG       LEU  56  -5.238  20.234  -7.415
  287   HD11  LEU  56          1HD1      LEU  56  -7.311  21.284  -6.536
  288   HD12  LEU  56          2HD1      LEU  56  -6.753  20.974  -4.876
  289   HD13  LEU  56          3HD1      LEU  56  -5.836  22.058  -5.936
  290   HD21  LEU  56          3HD2      LEU  56  -3.733  20.657  -5.580
  291   HD22  LEU  56          1HD2      LEU  56  -4.667  19.618  -4.492
  292   HD23  LEU  56          2HD2      LEU  56  -3.791  18.911  -5.873
  293    H    THR  57           H        THR  57  -7.147  15.750  -6.401
  294    HA   THR  57           HA       THR  57 -10.090  15.736  -6.883
  295    HB   THR  57           HB       THR  57  -9.478  14.104  -8.678
  296    HG1  THR  57           1HG      THR  57  -7.182  14.086  -9.153
  297   HG21  THR  57          3HG2      THR  57  -8.493  15.704 -10.209
  298   HG22  THR  57          1HG2      THR  57  -9.653  16.549  -9.170
  299   HG23  THR  57          2HG2      THR  57  -7.909  16.713  -8.870
  300    H    LYS  58           H        LYS  58  -7.845  14.266  -4.869
  301    HA   LYS  58           HA       LYS  58  -7.904  12.653  -3.348
  302    HB2  LYS  58           1HB      LYS  58 -10.891  12.728  -3.894
  303    HB3  LYS  58           2HB      LYS  58 -10.170  11.674  -2.697
  304    HG2  LYS  58           1HG      LYS  58 -11.026  13.677  -1.663
  305    HG3  LYS  58           2HG      LYS  58  -9.285  13.536  -1.428
  306    HD2  LYS  58           1HD      LYS  58  -8.842  15.293  -3.020
  307    HD3  LYS  58           2HD      LYS  58 -10.539  15.314  -3.561
  308    HE2  LYS  58           1HE      LYS  58 -11.256  16.126  -1.363
  309    HE3  LYS  58           2HE      LYS  58  -9.606  15.988  -0.736
  310    HZ1  LYS  58           3HZ      LYS  58 -10.161  18.269  -1.418
  311    HZ2  LYS  58           1HZ      LYS  58  -8.901  17.681  -2.284
  312    HZ3  LYS  58           2HZ      LYS  58 -10.388  17.784  -2.967
  313    H    ARG  59           H        ARG  59  -8.130  11.943  -6.501
  314    HA   ARG  59           HA       ARG  59  -8.522   9.131  -6.733
  315    HB2  ARG  59           1HB      ARG  59  -6.429  10.855  -8.102
  316    HB3  ARG  59           2HB      ARG  59  -6.984   9.270  -8.643
  317    HG2  ARG  59           1HG      ARG  59  -9.261  10.199  -9.018
  318    HG3  ARG  59           2HG      ARG  59  -8.685  11.799  -8.535
  319    HD2  ARG  59           1HD      ARG  59  -7.722  10.160 -10.906
  320    HD3  ARG  59           2HD      ARG  59  -8.727  11.616 -10.963
  321    HE   ARG  59           HE       ARG  59  -6.107  11.966  -9.654
  322   HH11  ARG  59          1HH1      ARG  59  -7.695  12.101 -12.824
  323   HH12  ARG  59          2HH1      ARG  59  -6.404  13.052 -13.498
  324   HH21  ARG  59          1HH2      ARG  59  -4.557  13.082 -10.529
  325   HH22  ARG  59          2HH2      ARG  59  -4.612  13.639 -12.197
  326    H    SER  60           H        SER  60  -7.434   7.444  -5.895
  327    HA   SER  60           HA       SER  60  -5.229   7.633  -4.111
  328    HB2  SER  60           1HB      SER  60  -5.300   5.239  -4.110
  329    HB3  SER  60           2HB      SER  60  -6.971   5.808  -4.312
  330    HG   SER  60           HG       SER  60  -6.706   4.275  -5.846
  331    H    ARG  61           H        ARG  61  -5.081   7.910  -7.480
  332    HA   ARG  61           HA       ARG  61  -3.526   7.736  -9.105
  333    HB2  ARG  61           1HB      ARG  61  -1.405   7.566  -6.920
  334    HB3  ARG  61           2HB      ARG  61  -1.141   7.864  -8.634
  335    HG2  ARG  61           1HG      ARG  61  -2.489   9.977  -8.455
  336    HG3  ARG  61           2HG      ARG  61  -2.624   9.700  -6.711
  337    HD2  ARG  61           1HD      ARG  61  -0.794  11.229  -7.033
  338    HD3  ARG  61           2HD      ARG  61  -0.120   9.682  -6.554
  339    HE   ARG  61           HE       ARG  61   0.920   9.463  -8.600
  340   HH11  ARG  61          1HH1      ARG  61  -1.332  12.203  -8.886
  341   HH12  ARG  61          2HH1      ARG  61  -0.711  12.629 -10.457
  342   HH21  ARG  61          1HH2      ARG  61   1.652  10.091 -10.608
  343   HH22  ARG  61          2HH2      ARG  61   0.952  11.466 -11.405
  344    H    GLY  62           H        GLY  62  -4.544   5.259  -7.407
  345    HA2  GLY  62           1HA      GLY  62  -4.638   3.018  -7.859
  346    HA3  GLY  62           2HA      GLY  62  -3.437   3.222  -9.152
  347    H    PHE  63           H        PHE  63  -2.409   4.416  -5.999
  348    HA   PHE  63           HA       PHE  63  -1.342   1.835  -5.235
  349    HB2  PHE  63           1HB      PHE  63   0.909   2.103  -5.603
  350    HB3  PHE  63           2HB      PHE  63   0.219   2.727  -7.075
  351    HD1  PHE  63           2HD      PHE  63   0.061   5.326  -7.336
  352    HD2  PHE  63           1HD      PHE  63   2.291   3.392  -4.192
  353    HE1  PHE  63           2HE      PHE  63   1.332   7.429  -6.934
  354    HE2  PHE  63           1HE      PHE  63   3.617   5.458  -3.871
  355    HZ   PHE  63           HZ       PHE  63   3.122   7.478  -5.178
  356    H    GLY  64           H        GLY  64  -0.172   1.689  -3.368
  357    HA2  GLY  64           1HA      GLY  64   0.026   3.955  -1.473
  358    HA3  GLY  64           2HA      GLY  64  -1.063   2.653  -1.038
  359    H    PHE  65           H        PHE  65   0.303   2.418   0.797
  360    HA   PHE  65           HA       PHE  65   2.527   0.504   0.443
  361    HB2  PHE  65           1HB      PHE  65   2.755   3.258   1.701
  362    HB3  PHE  65           2HB      PHE  65   3.768   1.942   2.236
  363    HD1  PHE  65           1HD      PHE  65   5.505   0.984   0.859
  364    HD2  PHE  65           2HD      PHE  65   3.132   4.318  -0.560
  365    HE1  PHE  65           1HE      PHE  65   7.245   1.518  -0.825
  366    HE2  PHE  65           2HE      PHE  65   4.872   4.807  -2.241
  367    HZ   PHE  65           HZ       PHE  65   6.930   3.462  -2.358
  368    H    VAL  66           H        VAL  66   2.782  -0.870   2.203
  369    HA   VAL  66           HA       VAL  66   1.302  -0.313   4.724
  370    HB   VAL  66           HB       VAL  66   0.927  -2.881   3.131
  371   HG11  VAL  66          1HG1      VAL  66   1.146  -3.474   5.520
  372   HG12  VAL  66          2HG1      VAL  66  -0.030  -2.209   5.952
  373   HG13  VAL  66          3HG1      VAL  66  -0.534  -3.625   5.007
  374   HG21  VAL  66          3HG2      VAL  66  -1.489  -2.311   3.295
  375   HG22  VAL  66          1HG2      VAL  66  -1.078  -0.784   4.098
  376   HG23  VAL  66          2HG2      VAL  66  -0.595  -1.076   2.414
  377    H    THR  67           H        THR  67   2.377  -0.835   6.461
  378    HA   THR  67           HA       THR  67   4.903  -2.455   6.335
  379    HB   THR  67           HB       THR  67   4.110  -0.447   8.460
  380    HG1  THR  67           1HG      THR  67   5.326   1.053   7.327
  381   HG21  THR  67          3HG2      THR  67   6.507  -0.370   8.942
  382   HG22  THR  67          1HG2      THR  67   5.953  -2.050   9.034
  383   HG23  THR  67          2HG2      THR  67   6.844  -1.492   7.610
  384    H    PHE  68           H        PHE  68   5.119  -4.119   7.835
  385    HA   PHE  68           HA       PHE  68   2.655  -4.847   9.385
  386    HB2  PHE  68           1HB      PHE  68   4.782  -6.554   8.071
  387    HB3  PHE  68           2HB      PHE  68   3.587  -7.176   9.195
  388    HD1  PHE  68           2HD      PHE  68   4.012  -5.644   5.826
  389    HD2  PHE  68           1HD      PHE  68   1.286  -7.526   8.587
  390    HE1  PHE  68           2HE      PHE  68   2.379  -5.982   3.986
  391    HE2  PHE  68           1HE      PHE  68  -0.348  -7.850   6.750
  392    HZ   PHE  68           HZ       PHE  68   0.201  -7.087   4.446
  393    H    MET  69           H        MET  69   2.835  -5.751  11.436
  394    HA   MET  69           HA       MET  69   4.952  -4.798  13.159
  395    HB2  MET  69           1HB      MET  69   2.727  -6.823  13.586
  396    HB3  MET  69           2HB      MET  69   3.801  -6.248  14.861
  397    HG2  MET  69           1HG      MET  69   1.936  -4.478  13.233
  398    HG3  MET  69           2HG      MET  69   1.636  -5.095  14.851
  399    HE1  MET  69           3HE      MET  69   2.018  -1.417  15.739
  400    HE2  MET  69           1HE      MET  69   1.089  -2.270  14.483
  401    HE3  MET  69           2HE      MET  69   1.195  -2.943  16.120
  402    H    ASP  70           H        ASP  70   4.803  -7.580  11.155
  403    HA   ASP  70           HA       ASP  70   7.422  -8.490  12.037
  404    HB2  ASP  70           1HB      ASP  70   5.761  -9.647  13.592
  405    HB3  ASP  70           2HB      ASP  70   5.099 -10.449  12.167
  406    H    GLN  71           H        GLN  71   8.344 -10.047  10.565
  407    HA   GLN  71           HA       GLN  71   7.831  -9.565   7.794
  408    HB2  GLN  71           1HB      GLN  71  10.018 -10.186   8.755
  409    HB3  GLN  71           2HB      GLN  71   9.390 -11.752   9.239
  410    HG2  GLN  71           1HG      GLN  71  10.781 -11.908   7.206
  411    HG3  GLN  71           2HG      GLN  71   9.142 -12.467   6.938
  412   HE21  GLN  71          2HE2      GLN  71   9.216 -12.156   4.654
  413   HE22  GLN  71          1HE2      GLN  71   9.303 -10.535   3.955
  414    H    ALA  72           H        ALA  72   6.641 -12.083  10.002
  415    HA   ALA  72           HA       ALA  72   5.941 -14.034   8.098
  416    HB1  ALA  72           1HB      ALA  72   6.043 -14.386  10.549
  417    HB2  ALA  72           2HB      ALA  72   4.581 -13.385  10.750
  418    HB3  ALA  72           3HB      ALA  72   4.495 -14.928   9.869
  419    H    GLY  73           H        GLY  73   4.256 -11.002   8.659
  420    HA2  GLY  73           1HA      GLY  73   1.912 -11.950   7.091
  421    HA3  GLY  73           2HA      GLY  73   2.110 -10.337   7.797
  422    H    VAL  74           H        VAL  74   4.919 -10.265   6.548
  423    HA   VAL  74           HA       VAL  74   4.209  -9.188   3.908
  424    HB   VAL  74           HB       VAL  74   6.886  -9.699   5.259
  425   HG11  VAL  74          1HG1      VAL  74   7.295  -9.945   2.877
  426   HG12  VAL  74          2HG1      VAL  74   6.407  -8.449   2.529
  427   HG13  VAL  74          3HG1      VAL  74   7.935  -8.397   3.427
  428   HG21  VAL  74          3HG2      VAL  74   7.049  -7.257   5.357
  429   HG22  VAL  74          1HG2      VAL  74   5.457  -7.107   4.584
  430   HG23  VAL  74          2HG2      VAL  74   5.610  -7.827   6.206
  431    H    ASP  75           H        ASP  75   5.869 -12.093   5.232
  432    HA   ASP  75           HA       ASP  75   6.539 -13.345   2.823
  433    HB2  ASP  75           1HB      ASP  75   6.449 -14.009   5.660
  434    HB3  ASP  75           2HB      ASP  75   5.887 -15.377   4.725
  435    H    LYS  76           H        LYS  76   3.440 -13.666   4.631
  436    HA   LYS  76           HA       LYS  76   2.252 -15.573   2.854
  437    HB2  LYS  76           1HB      LYS  76   0.974 -13.396   4.562
  438    HB3  LYS  76           2HB      LYS  76   0.100 -14.715   3.746
  439    HG2  LYS  76           1HG      LYS  76   1.287 -16.388   5.094
  440    HG3  LYS  76           2HG      LYS  76   2.177 -15.094   5.908
  441    HD2  LYS  76           1HD      LYS  76  -0.167 -14.090   6.477
  442    HD3  LYS  76           2HD      LYS  76  -0.824 -15.634   5.927
  443    HE2  LYS  76           1HE      LYS  76  -0.671 -15.934   8.227
  444    HE3  LYS  76           2HE      LYS  76   0.801 -16.720   7.634
  445    HZ1  LYS  76           3HZ      LYS  76   1.259 -15.248   9.520
  446    HZ2  LYS  76           1HZ      LYS  76   2.001 -14.651   8.178
  447    HZ3  LYS  76           2HZ      LYS  76   0.620 -13.958   8.728
  448    H    VAL  77           H        VAL  77   2.360 -12.024   2.663
  449    HA   VAL  77           HA       VAL  77   0.428 -11.849   0.506
  450    HB   VAL  77           HB       VAL  77   2.463  -9.822   1.472
  451   HG11  VAL  77          1HG1      VAL  77   1.794  -9.216  -0.833
  452   HG12  VAL  77          2HG1      VAL  77   0.083  -9.397  -0.391
  453   HG13  VAL  77          3HG1      VAL  77   1.069  -8.112   0.336
  454   HG21  VAL  77          3HG2      VAL  77   0.544  -8.787   2.616
  455   HG22  VAL  77          1HG2      VAL  77  -0.574  -9.961   1.892
  456   HG23  VAL  77          2HG2      VAL  77   0.598 -10.486   3.099
  457    H    LEU  78           H        LEU  78   3.978 -12.203   0.589
  458    HA   LEU  78           HA       LEU  78   4.313 -11.937  -2.301
  459    HB2  LEU  78           1HB      LEU  78   6.035 -13.277  -0.182
  460    HB3  LEU  78           2HB      LEU  78   6.564 -12.818  -1.799
  461    HG   LEU  78           HG       LEU  78   5.599 -10.798   0.283
  462   HD11  LEU  78          1HD1      LEU  78   7.482 -12.062   1.109
  463   HD12  LEU  78          2HD1      LEU  78   8.383 -11.813  -0.401
  464   HD13  LEU  78          3HD1      LEU  78   8.033 -10.426   0.665
  465   HD21  LEU  78          3HD2      LEU  78   6.812  -9.177  -1.131
  466   HD22  LEU  78          1HD2      LEU  78   7.119 -10.452  -2.332
  467   HD23  LEU  78          2HD2      LEU  78   5.451  -9.926  -1.977
  468    H    ALA  79           H        ALA  79   3.959 -14.655  -0.021
  469    HA   ALA  79           HA       ALA  79   4.411 -16.695  -1.920
  470    HB1  ALA  79           1HB      ALA  79   4.652 -16.982   0.512
  471    HB2  ALA  79           2HB      ALA  79   2.894 -16.794   0.726
  472    HB3  ALA  79           3HB      ALA  79   3.542 -18.195  -0.151
  473    H    GLN  80           H        GLN  80   1.464 -14.893  -1.310
  474    HA   GLN  80           HA       GLN  80  -0.260 -16.809  -2.746
  475    HB2  GLN  80           1HB      GLN  80  -1.087 -15.642  -0.760
  476    HB3  GLN  80           2HB      GLN  80  -0.827 -14.074  -1.531
  477    HG2  GLN  80           1HG      GLN  80  -2.503 -14.573  -3.234
  478    HG3  GLN  80           2HG      GLN  80  -2.677 -16.230  -2.655
  479   HE21  GLN  80          2HE2      GLN  80  -4.396 -13.486  -2.732
  480   HE22  GLN  80          1HE2      GLN  80  -5.233 -13.637  -1.184
  481    H    SER  81           H        SER  81  -0.890 -16.647  -4.863
  482    HA   SER  81           HA       SER  81   0.778 -15.042  -6.563
  483    HB2  SER  81           1HB      SER  81  -1.508 -16.888  -7.319
  484    HB3  SER  81           2HB      SER  81  -0.174 -16.357  -8.356
  485    HG   SER  81           HG       SER  81   0.189 -18.465  -7.495
  486    H    ARG  82           H        ARG  82  -2.280 -14.194  -5.305
  487    HA   ARG  82           HA       ARG  82  -2.661 -11.995  -7.182
  488    HB2  ARG  82           1HB      ARG  82  -3.570 -13.988  -8.414
  489    HB3  ARG  82           2HB      ARG  82  -4.726 -14.243  -7.106
  490    HG2  ARG  82           1HG      ARG  82  -5.776 -12.066  -7.568
  491    HG3  ARG  82           2HG      ARG  82  -4.550 -11.693  -8.790
  492    HD2  ARG  82           1HD      ARG  82  -6.478 -14.048  -8.917
  493    HD3  ARG  82           2HD      ARG  82  -6.765 -12.478  -9.689
  494    HE   ARG  82           HE       ARG  82  -4.254 -13.297 -10.595
  495   HH11  ARG  82          1HH1      ARG  82  -7.554 -14.537 -10.896
  496   HH12  ARG  82          2HH1      ARG  82  -7.223 -15.309 -12.418
  497   HH21  ARG  82          1HH2      ARG  82  -3.892 -14.322 -12.556
  498   HH22  ARG  82          2HH2      ARG  82  -5.179 -15.182 -13.343
  499    H    HIS  83           H        HIS  83  -4.094 -10.436  -6.442
  500    HA   HIS  83           HA       HIS  83  -5.544 -10.804  -3.877
  501    HB2  HIS  83           1HB      HIS  83  -3.355  -8.763  -4.447
  502    HB3  HIS  83           2HB      HIS  83  -4.463  -8.661  -3.076
  503    HD1  HIS  83           1HD      HIS  83  -4.134 -10.592  -1.153
  504    HD2  HIS  83           2HD      HIS  83  -1.278 -10.411  -4.231
  505    HE1  HIS  83           1HE      HIS  83  -2.110 -11.933  -0.341
  506    H    GLU  84           H        GLU  84  -7.155  -9.104  -3.503
  507    HA   GLU  84           HA       GLU  84  -7.820  -7.289  -5.731
  508    HB2  GLU  84           1HB      GLU  84  -8.701  -9.610  -6.318
  509    HB3  GLU  84           2HB      GLU  84  -9.753  -9.483  -4.903
  510    HG2  GLU  84           1HG      GLU  84 -10.667  -7.321  -5.932
  511    HG3  GLU  84           2HG      GLU  84  -9.731  -7.707  -7.379
  512    H    LEU  85           H        LEU  85  -8.807  -5.522  -5.032
  513    HA   LEU  85           HA       LEU  85 -10.360  -5.426  -2.533
  514    HB2  LEU  85           1HB      LEU  85  -8.062  -5.155  -1.742
  515    HB3  LEU  85           2HB      LEU  85  -7.747  -3.929  -2.977
  516    HG   LEU  85           HG       LEU  85  -9.340  -2.387  -1.870
  517   HD11  LEU  85          1HD1      LEU  85 -10.917  -3.901  -0.790
  518   HD12  LEU  85          2HD1      LEU  85  -9.624  -4.639   0.169
  519   HD13  LEU  85          3HD1      LEU  85 -10.111  -2.958   0.471
  520   HD21  LEU  85          3HD2      LEU  85  -7.940  -1.927   0.093
  521   HD22  LEU  85          1HD2      LEU  85  -7.225  -3.550  -0.008
  522   HD23  LEU  85          2HD2      LEU  85  -6.942  -2.369  -1.304
  523    H    ASP  86           H        ASP  86 -11.962  -3.968  -2.683
  524    HA   ASP  86           HA       ASP  86 -13.547  -2.729  -3.675
  525    HB2  ASP  86           1HB      ASP  86 -11.838  -0.962  -3.112
  526    HB3  ASP  86           2HB      ASP  86 -11.315  -1.003  -4.795
  527    H    SER  87           H        SER  87 -12.830  -5.031  -5.050
  528    HA   SER  87           HA       SER  87 -13.203  -6.202  -6.952
  529    HB2  SER  87           1HB      SER  87 -14.668  -3.747  -7.969
  530    HB3  SER  87           2HB      SER  87 -14.786  -5.397  -8.588
  531    HG   SER  87           HG       SER  87 -16.505  -4.876  -7.133
  532    H    LYS  88           H        LYS  88 -10.744  -4.385  -6.790
  533    HA   LYS  88           HA       LYS  88  -9.961  -4.545  -9.673
  534    HB2  LYS  88           1HB      LYS  88  -9.360  -2.464  -7.539
  535    HB3  LYS  88           2HB      LYS  88  -8.238  -2.723  -8.866
  536    HG2  LYS  88           1HG      LYS  88 -11.174  -2.182  -9.364
  537    HG3  LYS  88           2HG      LYS  88 -10.003  -0.867  -9.132
  538    HD2  LYS  88           1HD      LYS  88  -8.679  -1.717 -11.059
  539    HD3  LYS  88           2HD      LYS  88  -9.894  -2.989 -11.321
  540    HE2  LYS  88           1HE      LYS  88 -11.646  -1.221 -11.590
  541    HE3  LYS  88           2HE      LYS  88 -10.402   0.021 -11.402
  542    HZ1  LYS  88           3HZ      LYS  88 -10.858  -0.419 -13.738
  543    HZ2  LYS  88           1HZ      LYS  88  -9.322  -0.867 -13.405
  544    HZ3  LYS  88           2HZ      LYS  88 -10.489  -2.000 -13.578
  545    H    THR  89           H        THR  89  -8.216  -5.675 -10.113
  546    HA   THR  89           HA       THR  89  -7.059  -7.444  -8.105
  547    HB   THR  89           HB       THR  89  -6.177  -7.046 -10.987
  548    HG1  THR  89           1HG      THR  89  -7.649  -8.732 -11.387
  549   HG21  THR  89          3HG2      THR  89  -5.426  -9.399 -10.763
  550   HG22  THR  89          1HG2      THR  89  -4.608  -8.374  -9.575
  551   HG23  THR  89          2HG2      THR  89  -5.953  -9.417  -9.065
  552    H    ILE  90           H        ILE  90  -5.391  -6.965  -6.814
  553    HA   ILE  90           HA       ILE  90  -3.750  -4.545  -7.460
  554    HB   ILE  90           HB       ILE  90  -3.386  -4.201  -5.140
  555   HG12  ILE  90          1HG1      ILE  90  -5.044  -6.650  -4.495
  556   HG13  ILE  90          2HG1      ILE  90  -3.284  -6.506  -4.346
  557   HG21  ILE  90          1HG2      ILE  90  -5.518  -3.363  -6.231
  558   HG22  ILE  90          2HG2      ILE  90  -6.362  -4.764  -5.537
  559   HG23  ILE  90          3HG2      ILE  90  -5.659  -3.554  -4.480
  560   HD11  ILE  90          3HD1      ILE  90  -4.147  -6.150  -2.173
  561   HD12  ILE  90          1HD1      ILE  90  -3.651  -4.550  -2.779
  562   HD13  ILE  90          2HD1      ILE  90  -5.371  -5.006  -2.750
  563    H    ASP  91           H        ASP  91  -1.560  -4.480  -6.806
  564    HA   ASP  91           HA       ASP  91  -0.125  -7.104  -7.000
  565    HB2  ASP  91           1HB      ASP  91  -0.211  -6.020  -9.176
  566    HB3  ASP  91           2HB      ASP  91   0.420  -4.525  -8.482
  567    HA   PRO  92           HA       PRO  92   1.689  -4.820  -3.481
  568    HB2  PRO  92           1HB      PRO  92   1.294  -6.676  -1.515
  569    HB3  PRO  92           2HB      PRO  92   0.089  -5.464  -2.013
  570    HG2  PRO  92           1HG      PRO  92   0.047  -8.381  -2.552
  571    HG3  PRO  92           2HG      PRO  92  -1.297  -7.184  -2.540
  572    HD2  PRO  92           1HD      PRO  92   0.162  -8.230  -4.805
  573    HD3  PRO  92           2HD      PRO  92  -1.192  -7.077  -4.774
  574    H    LYS  93           H        LYS  93   3.794  -4.889  -3.036
  575    HA   LYS  93           HA       LYS  93   5.440  -7.323  -3.329
  576    HB2  LYS  93           1HB      LYS  93   6.650  -6.478  -5.259
  577    HB3  LYS  93           2HB      LYS  93   4.931  -6.517  -5.622
  578    HG2  LYS  93           1HG      LYS  93   5.171  -3.936  -4.692
  579    HG3  LYS  93           2HG      LYS  93   6.783  -4.181  -5.349
  580    HD2  LYS  93           1HD      LYS  93   4.130  -4.506  -6.821
  581    HD3  LYS  93           2HD      LYS  93   5.255  -3.152  -6.984
  582    HE2  LYS  93           1HE      LYS  93   6.979  -4.671  -7.913
  583    HE3  LYS  93           2HE      LYS  93   5.873  -6.043  -7.733
  584    HZ1  LYS  93           3HZ      LYS  93   5.815  -5.148  -9.988
  585    HZ2  LYS  93           1HZ      LYS  93   4.352  -4.967  -9.274
  586    HZ3  LYS  93           2HZ      LYS  93   5.344  -3.675  -9.443
  587    H    VAL  94           H        VAL  94   7.830  -6.779  -3.022
  588    HA   VAL  94           HA       VAL  94   8.087  -5.569  -0.460
  589    HB   VAL  94           HB       VAL  94  10.303  -6.256  -2.434
  590   HG11  VAL  94          1HG1      VAL  94  11.200  -4.757  -0.709
  591   HG12  VAL  94          2HG1      VAL  94  10.426  -5.720   0.573
  592   HG13  VAL  94          3HG1      VAL  94  11.752  -6.400  -0.394
  593   HG21  VAL  94          3HG2      VAL  94  10.515  -8.331  -1.053
  594   HG22  VAL  94          1HG2      VAL  94   9.066  -7.853  -0.141
  595   HG23  VAL  94          2HG2      VAL  94   8.959  -8.233  -1.875
  596    H    ALA  95           H        ALA  95   8.622  -3.585   0.268
  597    HA   ALA  95           HA       ALA  95   8.488  -1.342  -1.586
  598    HB1  ALA  95           1HB      ALA  95   7.332  -1.279   0.572
  599    HB2  ALA  95           2HB      ALA  95   8.874  -1.486   1.433
  600    HB3  ALA  95           3HB      ALA  95   8.562  -0.006   0.511
  601    H    PHE  96           H        PHE  96  10.094  -0.113  -2.374
  602    HA   PHE  96           HA       PHE  96  12.862  -0.571  -2.032
  603    HB2  PHE  96           1HB      PHE  96  11.459   2.017  -2.789
  604    HB3  PHE  96           2HB      PHE  96  13.156   1.663  -3.050
  605    HD1  PHE  96           2HD      PHE  96  12.345  -1.392  -4.029
  606    HD2  PHE  96           1HD      PHE  96  11.315   2.651  -5.148
  607    HE1  PHE  96           2HE      PHE  96  11.823  -2.152  -6.318
  608    HE2  PHE  96           1HE      PHE  96  10.799   1.876  -7.445
  609    HZ   PHE  96           HZ       PHE  96  11.044  -0.529  -8.034
  610    HA   PRO  97           HA       PRO  97  13.472   0.945   2.035
  611    HB2  PRO  97           1HB      PRO  97  16.194   1.161   2.178
  612    HB3  PRO  97           2HB      PRO  97  15.361  -0.400   1.931
  613    HG2  PRO  97           1HG      PRO  97  16.535   1.428  -0.198
  614    HG3  PRO  97           2HG      PRO  97  16.855  -0.322   0.049
  615    HD2  PRO  97           1HD      PRO  97  14.997   0.529  -1.732
  616    HD3  PRO  97           2HD      PRO  97  14.702  -0.919  -0.722
  617    H    ARG  98           H        ARG  98  14.882   2.637   3.280
  618    HA   ARG  98           HA       ARG  98  13.910   5.204   2.928
  619    HB2  ARG  98           1HB      ARG  98  16.528   4.288   4.199
  620    HB3  ARG  98           2HB      ARG  98  15.845   5.889   4.405
  621    HG2  ARG  98           1HG      ARG  98  14.637   3.255   5.351
  622    HG3  ARG  98           2HG      ARG  98  15.362   4.514   6.344
  623    HD2  ARG  98           1HD      ARG  98  12.747   4.674   4.800
  624    HD3  ARG  98           2HD      ARG  98  12.971   4.641   6.555
  625    HE   ARG  98           HE       ARG  98  14.399   6.866   5.442
  626   HH11  ARG  98          1HH1      ARG  98  11.073   5.939   6.261
  627   HH12  ARG  98          2HH1      ARG  98  10.553   7.609   6.278
  628   HH21  ARG  98          1HH2      ARG  98  13.610   8.931   5.361
  629   HH22  ARG  98          2HH2      ARG  98  11.949   9.251   5.811
  630    H    ARG  99           H        ARG  99  14.264   6.833   1.615
  631    HA   ARG  99           HA       ARG  99  16.947   7.289   0.419
  632    HB2  ARG  99           1HB      ARG  99  16.191   7.514  -1.784
  633    HB3  ARG  99           2HB      ARG  99  15.695   5.965  -1.153
  634    HG2  ARG  99           1HG      ARG  99  13.694   6.390  -2.010
  635    HG3  ARG  99           2HG      ARG  99  13.424   7.454  -0.627
  636    HD2  ARG  99           1HD      ARG  99  14.082   9.403  -1.907
  637    HD3  ARG  99           2HD      ARG  99  14.732   8.411  -3.206
  638    HE   ARG  99           HE       ARG  99  11.928   9.167  -2.763
  639   HH11  ARG  99          1HH1      ARG  99  13.923   6.794  -4.506
  640   HH12  ARG  99          2HH1      ARG  99  12.654   6.511  -5.662
  641   HH21  ARG  99          1HH2      ARG  99  10.465   8.793  -4.174
  642   HH22  ARG  99          2HH2      ARG  99  10.671   7.656  -5.500
  643    H    ALA 100           H        ALA 100  15.283   8.596   2.545
  644    HA   ALA 100           HA       ALA 100  16.484  11.129   2.266
  645    HB1  ALA 100           1HB      ALA 100  14.454  11.506   0.754
  646    HB2  ALA 100           2HB      ALA 100  13.443  11.308   2.204
  647    HB3  ALA 100           3HB      ALA 100  14.609  12.632   2.105
  648    H    GLN 101           H        GLN 101  15.541  12.618   4.182
  649    HA   GLN 101           HA       GLN 101  15.994  11.147   6.616
  650    HB2  GLN 101           1HB      GLN 101  15.118  14.017   6.064
  651    HB3  GLN 101           2HB      GLN 101  15.460  13.393   7.679
  652    HG2  GLN 101           1HG      GLN 101  17.780  12.816   6.983
  653    HG3  GLN 101           2HG      GLN 101  17.461  13.472   5.377
  654   HE21  GLN 101          2HE2      GLN 101  19.500  14.755   6.133
  655   HE22  GLN 101          1HE2      GLN 101  19.155  16.267   6.959
  656    HA   PRO 102           HA       PRO 102  11.891   9.950   7.709
  657    HB2  PRO 102           1HB      PRO 102  11.959   9.806  10.430
  658    HB3  PRO 102           2HB      PRO 102  12.872   8.692   9.366
  659    HG2  PRO 102           1HG      PRO 102  13.887  11.209  10.733
  660    HG3  PRO 102           2HG      PRO 102  14.634   9.577  10.723
  661    HD2  PRO 102           1HD      PRO 102  15.436  11.512   9.001
  662    HD3  PRO 102           2HD      PRO 102  15.326   9.806   8.476
  663    H    LYS 103           H        LYS 103   9.911  10.668   8.219
  664    HA   LYS 103           HA       LYS 103   9.351  13.071   9.766
  665    HB2  LYS 103           1HB      LYS 103  10.030  14.054   7.609
  666    HB3  LYS 103           2HB      LYS 103   8.855  13.044   6.757
  667    HG2  LYS 103           1HG      LYS 103   6.994  14.184   7.884
  668    HG3  LYS 103           2HG      LYS 103   8.121  15.054   8.928
  669    HD2  LYS 103           1HD      LYS 103   7.319  16.548   7.199
  670    HD3  LYS 103           2HD      LYS 103   9.041  16.261   7.004
  671    HE2  LYS 103           1HE      LYS 103   8.020  16.286   4.836
  672    HE3  LYS 103           2HE      LYS 103   8.575  14.644   5.165
  673    HZ1  LYS 103           3HZ      LYS 103   6.292  14.809   4.199
  674    HZ2  LYS 103           1HZ      LYS 103   6.315  13.976   5.592
  675    HZ3  LYS 103           2HZ      LYS 103   5.761  15.526   5.563
  676    H5'    G 104           H5'        G 104  -4.377  -0.289 -11.609
  677   H5''    G 104          H5"         G 104  -5.879   0.536 -11.154
  678    H4'    G 104           H4'        G 104  -4.321   1.040 -13.735
  679    H3'    G 104           H3'        G 104  -3.424   1.862 -11.278
  680    H2'    G 104           H2'        G 104  -5.405   2.863 -10.518
  681   HO2'    G 104          HO2         G 104  -3.786   4.740 -11.833
  682    H1'    G 104           H1'        G 104  -5.940   4.153 -13.188
  683    H8     G 104           8H         G 104  -7.500   2.374 -10.116
  684    H1     G 104           1H         G 104 -11.542   5.936 -13.640
  685    H21    G 104           1H2        G 104 -10.475   6.596 -15.512
  686    H22    G 104           2H2        G 104  -8.805   6.120 -15.772
  687   HO5'    G 104          H5T         G 104  -6.671  -0.250 -13.299
  688    H5'    U 105           H5'        U 105  -1.642   2.972 -10.316
  689   H5''    U 105          H5"         U 105  -0.570   4.008 -11.259
  690    H4'    U 105           H4'        U 105   0.459   3.237  -9.176
  691    H3'    U 105           H3'        U 105   1.735   3.358 -11.590
  692    H2'    U 105           H2'        U 105   1.383   1.083 -12.136
  693   HO2'    U 105          HO2         U 105   3.915   1.610 -11.366
  694    H1'    U 105           H1'        U 105   2.130   0.331  -9.308
  695    H3     U 105           3H         U 105   1.861  -4.061 -10.419
  696    H5     U 105           5H         U 105  -1.490  -2.423 -12.326
  697    H6     U 105           6H         U 105  -0.824  -0.219 -11.519
  698    H5'    A 106           H5'        A 106   3.678   4.545  -7.376
  699   H5''    A 106          H5"         A 106   3.995   5.949  -8.392
  700    H4'    A 106           H4'        A 106   5.113   6.311  -6.345
  701    H3'    A 106           H3'        A 106   6.541   6.487  -8.677
  702    H2'    A 106           H2'        A 106   7.346   4.259  -8.672
  703   HO2'    A 106          HO2         A 106   9.198   6.021  -7.547
  704    H1'    A 106           H1'        A 106   7.993   4.491  -5.732
  705    H8     A 106           8H         A 106   6.817   2.078  -8.552
  706    H61    A 106           1H6        A 106   8.645  -2.224  -4.336
  707    H62    A 106           2H6        A 106   8.105  -2.063  -6.013
  708    H2     A 106           2H         A 106   8.911   1.632  -2.486
  709    H5'    G 107           H5'        G 107   8.088   8.504  -4.064
  710   H5''    G 107          H5"         G 107   7.450   6.857  -3.976
  711    H4'    G 107           H4'        G 107   5.784   9.008  -2.716
  712    H3'    G 107           H3'        G 107   8.471   8.144  -1.613
  713    H2'    G 107           H2'        G 107   7.482   8.439   0.557
  714   HO2'    G 107          HO2         G 107   6.386  10.509  -0.275
  715    H1'    G 107           H1'        G 107   4.911   7.599  -0.249
  716    H8     G 107           8H         G 107   4.732   6.058   1.718
  717    H1     G 107           1H         G 107  10.449   3.282   0.592
  718    H21    G 107           1H2        G 107  11.457   4.346  -1.085
  719    H22    G 107           2H2        G 107  10.611   5.610  -1.965
  720    H5'    U 108           H5'        U 108  11.585  11.101   0.273
  721   H5''    U 108          H5"         U 108  11.982   9.722  -0.746
  722    H4'    U 108           H4'        U 108  12.851   9.230   1.365
  723    H3'    U 108           H3'        U 108  11.068   7.417   0.329
  724   HO3'    U 108          H3T         U 108  11.770   6.260   2.407
  725    H2'    U 108           H2'        U 108   9.195   8.158   1.544
  726   HO2'    U 108          HO2         U 108   8.887   6.719   3.343
  727    H1'    U 108           H1'        U 108  10.909   8.516   3.975
  728    H3     U 108           3H         U 108   7.874  10.722   6.530
  729    H5     U 108           5H         U 108   6.656  11.669   2.635
  730    H6     U 108           6H         U 108   8.489  10.321   1.759
  Start of MODEL    3
    1    H    CYS  20           1H       CYS  20  10.496  -4.108   6.757
    2    HA   CYS  20           HA       CYS  20   9.203  -6.105   6.393
    3    HB2  CYS  20           1HB      CYS  20   7.815  -5.355   9.019
    4    HB3  CYS  20           2HB      CYS  20   7.386  -6.696   7.959
    5    HG   CYS  20           HG       CYS  20   9.689  -7.949   8.106
    6    H    LYS  21           H        LYS  21   8.978  -4.331   4.678
    7    HA   LYS  21           HA       LYS  21   6.310  -3.024   4.836
    8    HB2  LYS  21           1HB      LYS  21   8.048  -1.462   5.695
    9    HB3  LYS  21           2HB      LYS  21   8.899  -1.566   4.152
   10    HG2  LYS  21           1HG      LYS  21   7.041  -0.516   2.981
   11    HG3  LYS  21           2HG      LYS  21   5.995  -0.670   4.398
   12    HD2  LYS  21           1HD      LYS  21   7.472   0.915   5.638
   13    HD3  LYS  21           2HD      LYS  21   8.465   1.105   4.179
   14    HE2  LYS  21           1HE      LYS  21   6.602   2.004   2.928
   15    HE3  LYS  21           2HE      LYS  21   5.453   1.608   4.222
   16    HZ1  LYS  21           3HZ      LYS  21   6.285   3.988   4.024
   17    HZ2  LYS  21           1HZ      LYS  21   6.239   3.338   5.532
   18    HZ3  LYS  21           2HZ      LYS  21   7.673   3.477   4.703
   19    H    MET  22           H        MET  22   5.301  -2.522   2.964
   20    HA   MET  22           HA       MET  22   6.379  -3.618   0.409
   21    HB2  MET  22           1HB      MET  22   3.687  -4.246   1.696
   22    HB3  MET  22           2HB      MET  22   4.175  -4.706   0.061
   23    HG2  MET  22           1HG      MET  22   6.133  -5.955   1.071
   24    HG3  MET  22           2HG      MET  22   5.480  -5.582   2.660
   25    HE1  MET  22           3HE      MET  22   3.998  -8.625  -0.414
   26    HE2  MET  22           1HE      MET  22   3.832  -6.900  -0.813
   27    HE3  MET  22           2HE      MET  22   5.434  -7.592  -0.467
   28    H    PHE  23           H        PHE  23   5.821  -2.639  -1.349
   29    HA   PHE  23           HA       PHE  23   4.198  -0.152  -1.409
   30    HB2  PHE  23           1HB      PHE  23   6.272  -0.080  -2.647
   31    HB3  PHE  23           2HB      PHE  23   5.983  -1.656  -3.370
   32    HD1  PHE  23           2HD      PHE  23   4.256  -1.944  -5.171
   33    HD2  PHE  23           1HD      PHE  23   5.290   1.936  -3.614
   34    HE1  PHE  23           2HE      PHE  23   3.259  -0.887  -7.168
   35    HE2  PHE  23           1HE      PHE  23   4.286   2.981  -5.615
   36    HZ   PHE  23           HZ       PHE  23   3.271   1.595  -7.396
   37    H    ILE  24           H        ILE  24   2.157  -0.153  -2.303
   38    HA   ILE  24           HA       ILE  24   1.020  -2.804  -3.167
   39    HB   ILE  24           HB       ILE  24  -0.559  -0.620  -1.790
   40   HG12  ILE  24          1HG1      ILE  24   1.074  -1.195  -0.120
   41   HG13  ILE  24          2HG1      ILE  24  -0.516  -1.788   0.296
   42   HG21  ILE  24          1HG2      ILE  24  -1.766  -2.290  -3.151
   43   HG22  ILE  24          2HG2      ILE  24  -1.054  -3.602  -2.206
   44   HG23  ILE  24          3HG2      ILE  24  -2.153  -2.444  -1.430
   45   HD11  ILE  24          3HD1      ILE  24   1.323  -3.356   0.886
   46   HD12  ILE  24          1HD1      ILE  24   0.126  -4.079  -0.191
   47   HD13  ILE  24          2HD1      ILE  24   1.698  -3.557  -0.829
   48    H    GLY  25           H        GLY  25   1.120  -2.580  -5.371
   49    HA2  GLY  25           1HA      GLY  25   0.179  -0.089  -6.691
   50    HA3  GLY  25           2HA      GLY  25   0.921  -1.511  -7.454
   51    H    GLY  26           H        GLY  26  -1.215  -0.409  -8.659
   52    HA2  GLY  26           1HA      GLY  26  -3.044  -1.202  -9.815
   53    HA3  GLY  26           2HA      GLY  26  -2.882  -2.744  -8.952
   54    H    LEU  27           H        LEU  27  -3.298   0.085  -6.979
   55    HA   LEU  27           HA       LEU  27  -5.758  -0.922  -5.816
   56    HB2  LEU  27           1HB      LEU  27  -4.385   1.786  -5.528
   57    HB3  LEU  27           2HB      LEU  27  -5.712   1.212  -4.541
   58    HG   LEU  27           HG       LEU  27  -2.897   0.050  -4.589
   59   HD11  LEU  27          1HD1      LEU  27  -3.257   2.241  -3.422
   60   HD12  LEU  27          2HD1      LEU  27  -4.502   1.493  -2.427
   61   HD13  LEU  27          3HD1      LEU  27  -2.815   0.935  -2.304
   62   HD21  LEU  27          3HD2      LEU  27  -3.832  -1.288  -2.592
   63   HD22  LEU  27          1HD2      LEU  27  -5.430  -0.972  -3.286
   64   HD23  LEU  27          2HD2      LEU  27  -4.195  -1.834  -4.229
   65    H    SER  28           H        SER  28  -7.694   0.472  -5.529
   66    HA   SER  28           HA       SER  28  -8.685   1.427  -8.158
   67    HB2  SER  28           1HB      SER  28 -10.012  -0.063  -6.547
   68    HB3  SER  28           2HB      SER  28 -10.141   1.347  -5.497
   69    HG   SER  28           HG       SER  28 -11.926   1.166  -6.858
   70    H    TRP  29           H        TRP  29  -9.449   3.575  -8.472
   71    HA   TRP  29           HA       TRP  29  -8.292   5.736  -6.966
   72    HB2  TRP  29           1HB      TRP  29 -10.460   5.486  -9.043
   73    HB3  TRP  29           2HB      TRP  29 -10.104   7.030  -8.264
   74    HD1  TRP  29           HD       TRP  29  -6.925   5.223  -8.807
   75    HE1  TRP  29           1HE      TRP  29  -5.714   6.044 -10.881
   76    HE3  TRP  29           3HE      TRP  29 -10.745   7.872 -10.959
   77    HZ2  TRP  29           2HZ      TRP  29  -6.282   7.729 -13.169
   78    HZ3  TRP  29           3HZ      TRP  29 -10.391   9.029 -13.124
   79    HH2  TRP  29           HH       TRP  29  -8.170   8.970 -14.236
   80    H    GLN  30           H        GLN  30 -10.861   3.683  -6.129
   81    HA   GLN  30           HA       GLN  30 -12.021   5.625  -4.183
   82    HB2  GLN  30           1HB      GLN  30 -12.896   2.776  -4.718
   83    HB3  GLN  30           2HB      GLN  30 -13.786   4.045  -3.883
   84    HG2  GLN  30           1HG      GLN  30 -13.873   5.322  -6.077
   85    HG3  GLN  30           2HG      GLN  30 -13.190   3.892  -6.868
   86   HE21  GLN  30          2HE2      GLN  30 -14.507   1.705  -6.074
   87   HE22  GLN  30          1HE2      GLN  30 -16.245   1.921  -6.246
   88    H    THR  31           H        THR  31  -9.423   3.407  -4.179
   89    HA   THR  31           HA       THR  31  -9.913   2.092  -1.654
   90    HB   THR  31           HB       THR  31  -7.308   2.495  -3.186
   91    HG1  THR  31           1HG      THR  31  -9.169   0.339  -3.124
   92   HG21  THR  31          3HG2      THR  31  -6.684   0.349  -1.987
   93   HG22  THR  31          1HG2      THR  31  -6.759   1.767  -0.942
   94   HG23  THR  31          2HG2      THR  31  -8.088   0.584  -0.933
   95    H    THR  32           H        THR  32  -9.165   2.518   0.363
   96    HA   THR  32           HA       THR  32  -7.723   5.073   0.915
   97    HB   THR  32           HB       THR  32  -8.989   5.297   2.981
   98    HG1  THR  32           1HG      THR  32 -10.813   3.851   3.251
   99   HG21  THR  32          3HG2      THR  32 -11.165   5.905   2.128
  100   HG22  THR  32          1HG2      THR  32  -9.954   6.308   0.899
  101   HG23  THR  32          2HG2      THR  32 -10.971   4.864   0.705
  102    H    GLN  33           H        GLN  33  -6.512   5.028   2.955
  103    HA   GLN  33           HA       GLN  33  -4.888   2.661   3.218
  104    HB2  GLN  33           1HB      GLN  33  -3.943   3.867   5.215
  105    HB3  GLN  33           2HB      GLN  33  -3.835   4.711   3.671
  106    HG2  GLN  33           1HG      GLN  33  -5.612   6.216   4.238
  107    HG3  GLN  33           2HG      GLN  33  -6.028   5.296   5.693
  108   HE21  GLN  33          2HE2      GLN  33  -3.804   7.711   4.342
  109   HE22  GLN  33          1HE2      GLN  33  -2.991   8.020   5.865
  110    H    GLU  34           H        GLU  34  -7.790   3.683   4.957
  111    HA   GLU  34           HA       GLU  34  -7.601   1.628   7.010
  112    HB2  GLU  34           1HB      GLU  34  -9.986   3.167   5.902
  113    HB3  GLU  34           2HB      GLU  34 -10.043   2.059   7.280
  114    HG2  GLU  34           1HG      GLU  34  -8.368   3.463   8.477
  115    HG3  GLU  34           2HG      GLU  34  -8.370   4.606   7.130
  116    H    GLY  35           H        GLY  35  -8.957   1.801   3.699
  117    HA2  GLY  35           1HA      GLY  35 -10.124  -0.834   3.652
  118    HA3  GLY  35           2HA      GLY  35  -9.659   0.156   2.250
  119    H    LEU  36           H        LEU  36  -6.819   0.385   2.905
  120    HA   LEU  36           HA       LEU  36  -5.786  -2.177   2.099
  121    HB2  LEU  36           1HB      LEU  36  -4.244   0.037   3.547
  122    HB3  LEU  36           2HB      LEU  36  -3.569  -1.333   2.697
  123    HG   LEU  36           HG       LEU  36  -4.943   1.074   1.493
  124   HD11  LEU  36          1HD1      LEU  36  -2.534   1.222   2.109
  125   HD12  LEU  36          2HD1      LEU  36  -2.196  -0.164   1.049
  126   HD13  LEU  36          3HD1      LEU  36  -2.800   1.351   0.358
  127   HD21  LEU  36          3HD2      LEU  36  -4.563  -0.004  -0.719
  128   HD22  LEU  36          1HD2      LEU  36  -4.173  -1.528   0.103
  129   HD23  LEU  36          2HD2      LEU  36  -5.799  -0.810   0.237
  130    H    ARG  37           H        ARG  37  -5.788  -0.649   5.380
  131    HA   ARG  37           HA       ARG  37  -4.723  -2.912   6.708
  132    HB2  ARG  37           1HB      ARG  37  -4.983  -0.693   7.728
  133    HB3  ARG  37           2HB      ARG  37  -6.745  -0.861   7.713
  134    HG2  ARG  37           1HG      ARG  37  -6.604  -2.783   9.272
  135    HG3  ARG  37           2HG      ARG  37  -4.837  -2.701   9.222
  136    HD2  ARG  37           1HD      ARG  37  -5.078  -0.289  10.058
  137    HD3  ARG  37           2HD      ARG  37  -6.792  -0.643  10.285
  138    HE   ARG  37           HE       ARG  37  -6.204  -2.380  11.903
  139   HH11  ARG  37          1HH1      ARG  37  -3.595  -0.065  11.271
  140   HH12  ARG  37          2HH1      ARG  37  -2.746  -0.503  12.723
  141   HH21  ARG  37          1HH2      ARG  37  -5.081  -2.845  13.771
  142   HH22  ARG  37          2HH2      ARG  37  -3.601  -2.012  14.135
  143    H    GLU  38           H        GLU  38  -8.108  -2.233   5.847
  144    HA   GLU  38           HA       GLU  38  -9.310  -4.405   7.116
  145    HB2  GLU  38           1HB      GLU  38 -10.232  -2.333   5.607
  146    HB3  GLU  38           2HB      GLU  38 -10.370  -3.619   4.408
  147    HG2  GLU  38           1HG      GLU  38 -11.649  -4.961   6.109
  148    HG3  GLU  38           2HG      GLU  38 -11.500  -3.596   7.227
  149    H    TYR  39           H        TYR  39  -7.614  -4.351   3.982
  150    HA   TYR  39           HA       TYR  39  -8.275  -7.157   3.367
  151    HB2  TYR  39           1HB      TYR  39  -8.192  -5.371   1.650
  152    HB3  TYR  39           2HB      TYR  39  -6.472  -5.158   1.953
  153    HD1  TYR  39           2HD      TYR  39  -9.027  -7.738   1.005
  154    HD2  TYR  39           1HD      TYR  39  -4.897  -6.516   0.772
  155    HE1  TYR  39           2HE      TYR  39  -8.552  -9.654  -0.499
  156    HE2  TYR  39           1HE      TYR  39  -4.418  -8.413  -0.751
  157    HH   TYR  39           HH       TYR  39  -6.965 -10.803  -1.661
  158    H    PHE  40           H        PHE  40  -5.426  -5.276   4.378
  159    HA   PHE  40           HA       PHE  40  -3.677  -7.569   4.180
  160    HB2  PHE  40           1HB      PHE  40  -3.286  -4.668   4.869
  161    HB3  PHE  40           2HB      PHE  40  -1.996  -5.807   5.129
  162    HD1  PHE  40           1HD      PHE  40  -1.592  -7.531   3.056
  163    HD2  PHE  40           2HD      PHE  40  -3.442  -3.658   2.704
  164    HE1  PHE  40           1HE      PHE  40  -1.187  -7.550   0.610
  165    HE2  PHE  40           2HE      PHE  40  -3.048  -3.686   0.267
  166    HZ   PHE  40           HZ       PHE  40  -1.918  -5.631  -0.790
  167    H    GLY  41           H        GLY  41  -5.549  -6.308   6.804
  168    HA2  GLY  41           1HA      GLY  41  -4.152  -7.506   8.992
  169    HA3  GLY  41           2HA      GLY  41  -5.884  -7.127   8.923
  170    H    GLN  42           H        GLN  42  -5.705  -9.082   6.382
  171    HA   GLN  42           HA       GLN  42  -6.478 -11.558   7.712
  172    HB2  GLN  42           1HB      GLN  42  -5.714 -11.022   4.805
  173    HB3  GLN  42           2HB      GLN  42  -6.538 -12.456   5.419
  174    HG2  GLN  42           1HG      GLN  42  -8.474 -11.042   6.104
  175    HG3  GLN  42           2HG      GLN  42  -7.655  -9.623   5.440
  176   HE21  GLN  42          2HE2      GLN  42  -7.105  -9.682   3.064
  177   HE22  GLN  42          1HE2      GLN  42  -8.199 -10.567   2.002
  178    H    PHE  43           H        PHE  43  -3.456 -10.225   6.530
  179    HA   PHE  43           HA       PHE  43  -2.078 -12.863   6.613
  180    HB2  PHE  43           1HB      PHE  43  -1.125 -10.182   5.539
  181    HB3  PHE  43           2HB      PHE  43  -0.365 -11.742   5.308
  182    HD1  PHE  43           1HD      PHE  43  -1.472 -13.471   3.828
  183    HD2  PHE  43           2HD      PHE  43  -3.039  -9.503   4.219
  184    HE1  PHE  43           1HE      PHE  43  -2.792 -13.793   1.749
  185    HE2  PHE  43           2HE      PHE  43  -4.367  -9.801   2.142
  186    HZ   PHE  43           HZ       PHE  43  -4.252 -11.960   0.907
  187    H    GLY  44           H        GLY  44  -1.937  -9.593   8.039
  188    HA2  GLY  44           1HA      GLY  44  -0.959 -10.545  10.551
  189    HA3  GLY  44           2HA      GLY  44   0.366  -9.815   9.663
  190    H    GLU  45           H        GLU  45  -0.632  -8.793  12.106
  191    HA   GLU  45           HA       GLU  45  -2.377  -6.536  11.734
  192    HB2  GLU  45           1HB      GLU  45  -1.923  -7.580  13.918
  193    HB3  GLU  45           2HB      GLU  45  -0.242  -7.029  13.854
  194    HG2  GLU  45           1HG      GLU  45  -0.947  -4.695  13.952
  195    HG3  GLU  45           2HG      GLU  45  -2.641  -5.149  13.733
  196    H    VAL  46           H        VAL  46  -1.946  -4.479  11.000
  197    HA   VAL  46           HA       VAL  46   0.682  -4.066   9.775
  198    HB   VAL  46           HB       VAL  46  -0.240  -2.403   8.420
  199   HG11  VAL  46          1HG1      VAL  46  -0.735  -4.767   7.796
  200   HG12  VAL  46          2HG1      VAL  46  -2.323  -4.620   8.588
  201   HG13  VAL  46          3HG1      VAL  46  -1.940  -3.621   7.181
  202   HG21  VAL  46          3HG2      VAL  46  -2.624  -1.711   8.479
  203   HG22  VAL  46          1HG2      VAL  46  -2.764  -2.497  10.074
  204   HG23  VAL  46          2HG2      VAL  46  -1.669  -1.112   9.837
  205    H    LYS  47           H        LYS  47   2.092  -2.588  10.234
  206    HA   LYS  47           HA       LYS  47   1.987  -1.072  12.769
  207    HB2  LYS  47           1HB      LYS  47   3.869  -2.557  12.083
  208    HB3  LYS  47           2HB      LYS  47   4.186  -1.513  10.698
  209    HG2  LYS  47           1HG      LYS  47   4.705   0.372  12.221
  210    HG3  LYS  47           2HG      LYS  47   4.337  -0.645  13.617
  211    HD2  LYS  47           1HD      LYS  47   6.585  -1.093  11.601
  212    HD3  LYS  47           2HD      LYS  47   6.759  -0.411  13.224
  213    HE2  LYS  47           1HE      LYS  47   5.855  -2.562  14.179
  214    HE3  LYS  47           2HE      LYS  47   5.844  -3.239  12.541
  215    HZ1  LYS  47           3HZ      LYS  47   7.863  -3.842  13.732
  216    HZ2  LYS  47           1HZ      LYS  47   8.248  -2.901  12.452
  217    HZ3  LYS  47           2HZ      LYS  47   8.262  -2.276  13.965
  218    H    GLU  48           H        GLU  48   1.725  -0.489   9.346
  219    HA   GLU  48           HA       GLU  48   0.954   2.289   9.644
  220    HB2  GLU  48           1HB      GLU  48   3.386   2.597   9.712
  221    HB3  GLU  48           2HB      GLU  48   3.588   1.586   8.288
  222    HG2  GLU  48           1HG      GLU  48   2.466   3.247   6.882
  223    HG3  GLU  48           2HG      GLU  48   2.151   4.257   8.301
  224    H    CYS  49           H        CYS  49  -0.205   2.951   7.821
  225    HA   CYS  49           HA       CYS  49  -0.200   1.363   5.357
  226    HB2  CYS  49           1HB      CYS  49  -2.710   1.115   5.433
  227    HB3  CYS  49           2HB      CYS  49  -1.827   0.119   6.598
  228    HG   CYS  49           HG       CYS  49  -3.092   3.127   7.233
  229    H    LEU  50           H        LEU  50  -0.565   2.611   3.603
  230    HA   LEU  50           HA       LEU  50  -1.401   5.465   3.915
  231    HB2  LEU  50           1HB      LEU  50   1.153   4.393   2.648
  232    HB3  LEU  50           2HB      LEU  50   0.607   6.053   2.510
  233    HG   LEU  50           HG       LEU  50   1.439   4.732   5.124
  234   HD11  LEU  50          1HD1      LEU  50   3.299   4.975   3.510
  235   HD12  LEU  50          2HD1      LEU  50   2.901   6.691   3.285
  236   HD13  LEU  50          3HD1      LEU  50   3.479   6.095   4.863
  237   HD21  LEU  50          3HD2      LEU  50   1.468   7.063   5.985
  238   HD22  LEU  50          1HD2      LEU  50   0.829   7.651   4.435
  239   HD23  LEU  50          2HD2      LEU  50  -0.163   6.607   5.475
  240    H    VAL  51           H        VAL  51  -2.030   6.463   2.000
  241    HA   VAL  51           HA       VAL  51  -1.981   4.989  -0.564
  242    HB   VAL  51           HB       VAL  51  -4.504   6.209   0.639
  243   HG11  VAL  51          1HG1      VAL  51  -4.369   7.001  -1.670
  244   HG12  VAL  51          2HG1      VAL  51  -3.979   5.357  -2.241
  245   HG13  VAL  51          3HG1      VAL  51  -5.581   5.729  -1.560
  246   HG21  VAL  51          3HG2      VAL  51  -5.479   3.983   0.061
  247   HG22  VAL  51          1HG2      VAL  51  -3.873   3.427  -0.446
  248   HG23  VAL  51          2HG2      VAL  51  -4.178   3.870   1.253
  249    H    MET  52           H        MET  52  -1.247   6.293  -2.111
  250    HA   MET  52           HA       MET  52  -0.409   9.004  -1.277
  251    HB2  MET  52           1HB      MET  52   0.422   7.130  -3.512
  252    HB3  MET  52           2HB      MET  52   1.090   8.760  -3.285
  253    HG2  MET  52           1HG      MET  52   1.215   6.630  -1.125
  254    HG3  MET  52           2HG      MET  52   2.480   6.927  -2.300
  255    HE1  MET  52           3HE      MET  52   1.901   8.995   1.599
  256    HE2  MET  52           1HE      MET  52   0.514   8.308   0.722
  257    HE3  MET  52           2HE      MET  52   1.916   7.281   1.118
  258    H    ARG  53           H        ARG  53  -3.007   9.181  -1.590
  259    HA   ARG  53           HA       ARG  53  -3.881   9.685  -4.250
  260    HB2  ARG  53           1HB      ARG  53  -5.960  10.457  -3.292
  261    HB3  ARG  53           2HB      ARG  53  -5.423   8.986  -2.484
  262    HG2  ARG  53           1HG      ARG  53  -4.600  10.342  -0.561
  263    HG3  ARG  53           2HG      ARG  53  -5.190  11.806  -1.377
  264    HD2  ARG  53           1HD      ARG  53  -7.488  10.822  -1.417
  265    HD3  ARG  53           2HD      ARG  53  -6.879   9.426  -0.504
  266    HE   ARG  53           HE       ARG  53  -6.142  11.729   0.939
  267   HH11  ARG  53          1HH1      ARG  53  -9.181  10.138   0.059
  268   HH12  ARG  53          2HH1      ARG  53 -10.012  10.761   1.453
  269   HH21  ARG  53          1HH2      ARG  53  -7.276  12.493   2.714
  270   HH22  ARG  53          2HH2      ARG  53  -8.947  12.071   2.934
  271    H    ASP  54           H        ASP  54  -4.445  11.510  -5.339
  272    HA   ASP  54           HA       ASP  54  -2.812  13.899  -4.987
  273    HB2  ASP  54           1HB      ASP  54  -3.289  12.984  -7.199
  274    HB3  ASP  54           2HB      ASP  54  -5.022  13.091  -6.915
  275    HA   PRO  55           HA       PRO  55  -5.973  15.664  -2.379
  276    HB2  PRO  55           1HB      PRO  55  -4.953  18.137  -1.845
  277    HB3  PRO  55           2HB      PRO  55  -4.155  16.635  -1.288
  278    HG2  PRO  55           1HG      PRO  55  -3.523  18.257  -3.782
  279    HG3  PRO  55           2HG      PRO  55  -2.383  17.690  -2.518
  280    HD2  PRO  55           1HD      PRO  55  -2.776  16.305  -4.839
  281    HD3  PRO  55           2HD      PRO  55  -2.492  15.464  -3.285
  282    H    LEU  56           H        LEU  56  -5.453  16.925  -5.600
  283    HA   LEU  56           HA       LEU  56  -7.576  18.966  -5.379
  284    HB2  LEU  56           1HB      LEU  56  -5.894  18.028  -7.743
  285    HB3  LEU  56           2HB      LEU  56  -6.941  19.427  -7.691
  286    HG   LEU  56           HG       LEU  56  -4.369  19.055  -6.093
  287   HD11  LEU  56          1HD1      LEU  56  -4.030  19.453  -8.503
  288   HD12  LEU  56          2HD1      LEU  56  -5.043  20.911  -8.415
  289   HD13  LEU  56          3HD1      LEU  56  -3.498  20.841  -7.539
  290   HD21  LEU  56          3HD2      LEU  56  -4.652  21.447  -5.449
  291   HD22  LEU  56          1HD2      LEU  56  -6.271  21.443  -6.183
  292   HD23  LEU  56          2HD2      LEU  56  -5.919  20.423  -4.766
  293    H    THR  57           H        THR  57  -6.961  15.819  -6.901
  294    HA   THR  57           HA       THR  57  -9.759  15.712  -7.965
  295    HB   THR  57           HB       THR  57  -8.910  14.030  -9.502
  296    HG1  THR  57           1HG      THR  57  -6.371  14.549  -8.340
  297   HG21  THR  57          3HG2      THR  57  -7.448  15.379 -10.879
  298   HG22  THR  57          1HG2      THR  57  -8.698  16.413 -10.164
  299   HG23  THR  57          2HG2      THR  57  -7.044  16.438  -9.514
  300    H    LYS  58           H        LYS  58  -7.866  14.377  -5.484
  301    HA   LYS  58           HA       LYS  58  -8.135  12.800  -3.928
  302    HB2  LYS  58           1HB      LYS  58 -11.026  12.901  -4.852
  303    HB3  LYS  58           2HB      LYS  58 -10.479  11.840  -3.572
  304    HG2  LYS  58           1HG      LYS  58 -11.414  13.852  -2.652
  305    HG3  LYS  58           2HG      LYS  58  -9.714  13.699  -2.215
  306    HD2  LYS  58           1HD      LYS  58  -9.087  15.456  -3.764
  307    HD3  LYS  58           2HD      LYS  58 -10.725  15.491  -4.467
  308    HE2  LYS  58           1HE      LYS  58 -11.642  16.253  -2.309
  309    HE3  LYS  58           2HE      LYS  58 -10.043  16.137  -1.561
  310    HZ1  LYS  58           3HZ      LYS  58 -10.567  18.413  -2.237
  311    HZ2  LYS  58           1HZ      LYS  58  -9.259  17.862  -3.050
  312    HZ3  LYS  58           2HZ      LYS  58 -10.716  17.963  -3.803
  313    H    ARG  59           H        ARG  59  -7.966  12.047  -7.060
  314    HA   ARG  59           HA       ARG  59  -8.300   9.209  -7.272
  315    HB2  ARG  59           1HB      ARG  59  -6.291  11.100  -8.570
  316    HB3  ARG  59           2HB      ARG  59  -6.582   9.428  -9.067
  317    HG2  ARG  59           1HG      ARG  59  -8.905   9.944  -9.653
  318    HG3  ARG  59           2HG      ARG  59  -8.722  11.606  -9.074
  319    HD2  ARG  59           1HD      ARG  59  -6.956  12.012 -10.759
  320    HD3  ARG  59           2HD      ARG  59  -7.175  10.361 -11.376
  321    HE   ARG  59           HE       ARG  59  -9.705  11.626 -11.367
  322   HH11  ARG  59          1HH1      ARG  59  -6.656  11.948 -13.126
  323   HH12  ARG  59          2HH1      ARG  59  -7.432  12.588 -14.545
  324   HH21  ARG  59          1HH2      ARG  59 -10.647  12.466 -13.223
  325   HH22  ARG  59          2HH2      ARG  59  -9.662  12.873 -14.595
  326    H    SER  60           H        SER  60  -7.189   7.557  -6.448
  327    HA   SER  60           HA       SER  60  -5.245   7.903  -4.354
  328    HB2  SER  60           1HB      SER  60  -5.302   5.488  -4.256
  329    HB3  SER  60           2HB      SER  60  -6.950   6.084  -4.546
  330    HG   SER  60           HG       SER  60  -6.596   4.436  -5.969
  331    H    ARG  61           H        ARG  61  -4.743   8.085  -7.651
  332    HA   ARG  61           HA       ARG  61  -3.043   7.839  -9.118
  333    HB2  ARG  61           1HB      ARG  61  -1.204   7.698  -6.687
  334    HB3  ARG  61           2HB      ARG  61  -0.677   7.771  -8.360
  335    HG2  ARG  61           1HG      ARG  61  -1.796   9.966  -8.649
  336    HG3  ARG  61           2HG      ARG  61  -2.313   9.919  -6.958
  337    HD2  ARG  61           1HD      ARG  61  -0.321  11.301  -7.146
  338    HD3  ARG  61           2HD      ARG  61   0.048   9.839  -6.228
  339    HE   ARG  61           HE       ARG  61   0.652   9.836  -9.131
  340   HH11  ARG  61          1HH1      ARG  61   2.071  10.155  -5.868
  341   HH12  ARG  61          2HH1      ARG  61   3.630   9.592  -6.470
  342   HH21  ARG  61          1HH2      ARG  61   2.774   9.167  -9.707
  343   HH22  ARG  61          2HH2      ARG  61   3.989   9.102  -8.435
  344    H    GLY  62           H        GLY  62  -4.293   5.399  -7.454
  345    HA2  GLY  62           1HA      GLY  62  -4.451   3.166  -7.942
  346    HA3  GLY  62           2HA      GLY  62  -3.170   3.340  -9.163
  347    H    PHE  63           H        PHE  63  -2.254   4.439  -5.960
  348    HA   PHE  63           HA       PHE  63  -1.300   1.822  -5.157
  349    HB2  PHE  63           1HB      PHE  63   0.977   2.024  -5.492
  350    HB3  PHE  63           2HB      PHE  63   0.332   2.665  -6.981
  351    HD1  PHE  63           2HD      PHE  63   0.224   5.241  -7.247
  352    HD2  PHE  63           1HD      PHE  63   2.322   3.305  -4.019
  353    HE1  PHE  63           2HE      PHE  63   1.434   7.345  -6.765
  354    HE2  PHE  63           1HE      PHE  63   3.584   5.389  -3.596
  355    HZ   PHE  63           HZ       PHE  63   3.117   7.424  -4.908
  356    H    GLY  64           H        GLY  64  -0.054   1.725  -3.271
  357    HA2  GLY  64           1HA      GLY  64   0.200   4.037  -1.463
  358    HA3  GLY  64           2HA      GLY  64  -0.950   2.807  -0.960
  359    H    PHE  65           H        PHE  65   0.362   2.478   0.882
  360    HA   PHE  65           HA       PHE  65   2.546   0.510   0.506
  361    HB2  PHE  65           1HB      PHE  65   2.847   3.160   1.961
  362    HB3  PHE  65           2HB      PHE  65   3.849   1.780   2.323
  363    HD1  PHE  65           2HD      PHE  65   5.568   0.979   0.821
  364    HD2  PHE  65           1HD      PHE  65   3.139   4.409  -0.202
  365    HE1  PHE  65           2HE      PHE  65   7.245   1.676  -0.861
  366    HE2  PHE  65           1HE      PHE  65   4.833   5.098  -1.853
  367    HZ   PHE  65           HZ       PHE  65   6.883   3.762  -2.190
  368    H    VAL  66           H        VAL  66   2.833  -0.874   2.256
  369    HA   VAL  66           HA       VAL  66   1.330  -0.366   4.766
  370    HB   VAL  66           HB       VAL  66   1.027  -2.951   3.188
  371   HG11  VAL  66          1HG1      VAL  66   1.241  -3.507   5.587
  372   HG12  VAL  66          2HG1      VAL  66   0.019  -2.275   5.987
  373   HG13  VAL  66          3HG1      VAL  66  -0.426  -3.718   5.054
  374   HG21  VAL  66          3HG2      VAL  66  -1.400  -2.449   3.308
  375   HG22  VAL  66          1HG2      VAL  66  -1.051  -0.912   4.123
  376   HG23  VAL  66          2HG2      VAL  66  -0.535  -1.181   2.448
  377    H    THR  67           H        THR  67   2.426  -0.874   6.506
  378    HA   THR  67           HA       THR  67   4.924  -2.539   6.377
  379    HB   THR  67           HB       THR  67   4.211  -0.475   8.482
  380    HG1  THR  67           1HG      THR  67   5.540   0.926   7.347
  381   HG21  THR  67          3HG2      THR  67   6.604  -0.524   8.997
  382   HG22  THR  67          1HG2      THR  67   5.948  -2.162   9.123
  383   HG23  THR  67          2HG2      THR  67   6.892  -1.695   7.698
  384    H    PHE  68           H        PHE  68   5.072  -4.212   7.846
  385    HA   PHE  68           HA       PHE  68   2.566  -4.899   9.335
  386    HB2  PHE  68           1HB      PHE  68   4.730  -6.636   8.112
  387    HB3  PHE  68           2HB      PHE  68   3.420  -7.236   9.120
  388    HD1  PHE  68           2HD      PHE  68   4.199  -5.638   5.843
  389    HD2  PHE  68           1HD      PHE  68   1.167  -7.489   8.290
  390    HE1  PHE  68           2HE      PHE  68   2.713  -5.829   3.864
  391    HE2  PHE  68           1HE      PHE  68  -0.315  -7.675   6.310
  392    HZ   PHE  68           HZ       PHE  68   0.461  -6.845   4.092
  393    H    MET  69           H        MET  69   2.672  -5.824  11.391
  394    HA   MET  69           HA       MET  69   4.762  -4.930  13.180
  395    HB2  MET  69           1HB      MET  69   2.487  -6.914  13.530
  396    HB3  MET  69           2HB      MET  69   3.544  -6.379  14.837
  397    HG2  MET  69           1HG      MET  69   1.759  -4.548  13.189
  398    HG3  MET  69           2HG      MET  69   1.406  -5.173  14.793
  399    HE1  MET  69           3HE      MET  69   1.858  -1.492  15.678
  400    HE2  MET  69           1HE      MET  69   0.962  -2.311  14.378
  401    HE3  MET  69           2HE      MET  69   0.965  -2.988  16.017
  402    H    ASP  70           H        ASP  70   4.601  -7.691  11.142
  403    HA   ASP  70           HA       ASP  70   7.230  -8.562  12.008
  404    HB2  ASP  70           1HB      ASP  70   5.581  -9.813  13.530
  405    HB3  ASP  70           2HB      ASP  70   4.990 -10.614  12.069
  406    H    GLN  71           H        GLN  71   8.206 -10.025  10.510
  407    HA   GLN  71           HA       GLN  71   7.640  -9.546   7.760
  408    HB2  GLN  71           1HB      GLN  71   9.857 -10.102   8.888
  409    HB3  GLN  71           2HB      GLN  71   9.287 -11.752   9.059
  410    HG2  GLN  71           1HG      GLN  71  10.792 -11.558   7.144
  411    HG3  GLN  71           2HG      GLN  71   9.187 -11.988   6.588
  412   HE21  GLN  71          2HE2      GLN  71  10.266 -11.185   4.478
  413   HE22  GLN  71          1HE2      GLN  71  10.124  -9.463   4.155
  414    H    ALA  72           H        ALA  72   6.467 -12.061   9.941
  415    HA   ALA  72           HA       ALA  72   5.800 -14.068   8.085
  416    HB1  ALA  72           1HB      ALA  72   5.751 -14.334  10.539
  417    HB2  ALA  72           2HB      ALA  72   4.344 -13.244  10.636
  418    HB3  ALA  72           3HB      ALA  72   4.203 -14.812   9.812
  419    H    GLY  73           H        GLY  73   4.118 -10.986   8.575
  420    HA2  GLY  73           1HA      GLY  73   1.803 -11.830   6.958
  421    HA3  GLY  73           2HA      GLY  73   2.156 -10.179   7.506
  422    H    VAL  74           H        VAL  74   4.831 -10.086   6.433
  423    HA   VAL  74           HA       VAL  74   4.331  -9.226   3.724
  424    HB   VAL  74           HB       VAL  74   6.949  -9.783   5.178
  425   HG11  VAL  74          1HG1      VAL  74   7.438 -10.005   2.816
  426   HG12  VAL  74          2HG1      VAL  74   6.551  -8.514   2.440
  427   HG13  VAL  74          3HG1      VAL  74   8.053  -8.452   3.381
  428   HG21  VAL  74          3HG2      VAL  74   7.133  -7.332   5.292
  429   HG22  VAL  74          1HG2      VAL  74   5.554  -7.168   4.498
  430   HG23  VAL  74          2HG2      VAL  74   5.678  -7.899   6.115
  431    H    ASP  75           H        ASP  75   5.954 -12.124   5.116
  432    HA   ASP  75           HA       ASP  75   6.657 -13.482   2.790
  433    HB2  ASP  75           1HB      ASP  75   7.200 -14.093   5.171
  434    HB3  ASP  75           2HB      ASP  75   5.558 -14.674   5.376
  435    H    LYS  76           H        LYS  76   3.488 -13.680   4.498
  436    HA   LYS  76           HA       LYS  76   2.313 -15.586   2.712
  437    HB2  LYS  76           1HB      LYS  76   1.052 -13.437   4.455
  438    HB3  LYS  76           2HB      LYS  76   0.178 -14.778   3.679
  439    HG2  LYS  76           1HG      LYS  76   1.181 -16.427   5.041
  440    HG3  LYS  76           2HG      LYS  76   2.426 -15.314   5.635
  441    HD2  LYS  76           1HD      LYS  76   0.594 -13.890   6.635
  442    HD3  LYS  76           2HD      LYS  76  -0.592 -15.119   6.145
  443    HE2  LYS  76           1HE      LYS  76   0.554 -16.779   7.567
  444    HE3  LYS  76           2HE      LYS  76   1.789 -15.572   7.987
  445    HZ1  LYS  76           3HZ      LYS  76   0.148 -15.660   9.731
  446    HZ2  LYS  76           1HZ      LYS  76  -0.022 -14.218   8.962
  447    HZ3  LYS  76           2HZ      LYS  76  -1.089 -15.426   8.688
  448    H    VAL  77           H        VAL  77   2.411 -12.031   2.569
  449    HA   VAL  77           HA       VAL  77   0.459 -11.826   0.444
  450    HB   VAL  77           HB       VAL  77   2.536  -9.835   1.394
  451   HG11  VAL  77          1HG1      VAL  77   1.896  -9.229  -0.920
  452   HG12  VAL  77          2HG1      VAL  77   0.179  -9.368  -0.488
  453   HG13  VAL  77          3HG1      VAL  77   1.191  -8.100   0.237
  454   HG21  VAL  77          3HG2      VAL  77   0.630  -8.756   2.519
  455   HG22  VAL  77          1HG2      VAL  77  -0.504  -9.919   1.799
  456   HG23  VAL  77          2HG2      VAL  77   0.654 -10.454   3.013
  457    H    LEU  78           H        LEU  78   4.014 -12.205   0.469
  458    HA   LEU  78           HA       LEU  78   4.316 -11.940  -2.422
  459    HB2  LEU  78           1HB      LEU  78   6.053 -13.320  -0.341
  460    HB3  LEU  78           2HB      LEU  78   6.565 -12.842  -1.956
  461    HG   LEU  78           HG       LEU  78   5.645 -10.847   0.163
  462   HD11  LEU  78          1HD1      LEU  78   7.524 -12.143   0.953
  463   HD12  LEU  78          2HD1      LEU  78   8.417 -11.862  -0.557
  464   HD13  LEU  78          3HD1      LEU  78   8.074 -10.498   0.542
  465   HD21  LEU  78          3HD2      LEU  78   6.828  -9.209  -1.237
  466   HD22  LEU  78          1HD2      LEU  78   7.155 -10.466  -2.451
  467   HD23  LEU  78          2HD2      LEU  78   5.482  -9.958  -2.100
  468    H    ALA  79           H        ALA  79   3.946 -14.658  -0.156
  469    HA   ALA  79           HA       ALA  79   4.357 -16.705  -2.054
  470    HB1  ALA  79           1HB      ALA  79   4.599 -16.980   0.383
  471    HB2  ALA  79           2HB      ALA  79   2.842 -16.781   0.594
  472    HB3  ALA  79           3HB      ALA  79   3.485 -18.189  -0.277
  473    H    GLN  80           H        GLN  80   1.567 -14.723  -1.736
  474    HA   GLN  80           HA       GLN  80  -0.229 -16.681  -3.082
  475    HB2  GLN  80           1HB      GLN  80  -1.035 -15.606  -1.033
  476    HB3  GLN  80           2HB      GLN  80  -0.790 -14.006  -1.739
  477    HG2  GLN  80           1HG      GLN  80  -2.488 -14.440  -3.440
  478    HG3  GLN  80           2HG      GLN  80  -2.657 -16.117  -2.919
  479   HE21  GLN  80          2HE2      GLN  80  -4.450 -13.466  -2.915
  480   HE22  GLN  80          1HE2      GLN  80  -5.222 -13.623  -1.335
  481    H    SER  81           H        SER  81  -0.758 -16.468  -5.212
  482    HA   SER  81           HA       SER  81   0.826 -14.619  -6.781
  483    HB2  SER  81           1HB      SER  81  -1.159 -16.725  -7.692
  484    HB3  SER  81           2HB      SER  81   0.125 -15.978  -8.656
  485    HG   SER  81           HG       SER  81   0.742 -18.049  -7.852
  486    H    ARG  82           H        ARG  82  -2.252 -14.112  -5.538
  487    HA   ARG  82           HA       ARG  82  -3.014 -12.096  -7.551
  488    HB2  ARG  82           1HB      ARG  82  -3.804 -14.253  -8.477
  489    HB3  ARG  82           2HB      ARG  82  -4.595 -14.634  -6.956
  490    HG2  ARG  82           1HG      ARG  82  -6.212 -13.993  -8.553
  491    HG3  ARG  82           2HG      ARG  82  -6.191 -12.760  -7.300
  492    HD2  ARG  82           1HD      ARG  82  -5.073 -11.180  -8.759
  493    HD3  ARG  82           2HD      ARG  82  -4.666 -12.449  -9.916
  494    HE   ARG  82           HE       ARG  82  -6.771 -12.380 -10.830
  495   HH11  ARG  82          1HH1      ARG  82  -6.933 -10.224  -7.944
  496   HH12  ARG  82          2HH1      ARG  82  -8.640  -9.963  -8.276
  497   HH21  ARG  82          1HH2      ARG  82  -8.959 -11.770 -11.075
  498   HH22  ARG  82          2HH2      ARG  82  -9.656 -10.702  -9.862
  499    H    HIS  83           H        HIS  83  -4.154 -10.469  -6.640
  500    HA   HIS  83           HA       HIS  83  -5.580 -10.826  -4.051
  501    HB2  HIS  83           1HB      HIS  83  -3.438  -8.758  -4.697
  502    HB3  HIS  83           2HB      HIS  83  -4.510  -8.672  -3.297
  503    HD1  HIS  83           1HD      HIS  83  -4.141 -10.635  -1.400
  504    HD2  HIS  83           2HD      HIS  83  -1.283 -10.285  -4.464
  505    HE1  HIS  83           1HE      HIS  83  -2.059 -11.887  -0.593
  506    H    GLU  84           H        GLU  84  -7.070  -8.990  -3.587
  507    HA   GLU  84           HA       GLU  84  -7.840  -7.237  -5.790
  508    HB2  GLU  84           1HB      GLU  84  -8.785  -9.667  -6.198
  509    HB3  GLU  84           2HB      GLU  84  -9.940  -9.250  -4.944
  510    HG2  GLU  84           1HG      GLU  84 -10.681  -7.289  -6.251
  511    HG3  GLU  84           2HG      GLU  84  -9.418  -7.595  -7.454
  512    H    LEU  85           H        LEU  85  -8.870  -5.479  -5.075
  513    HA   LEU  85           HA       LEU  85 -10.395  -5.406  -2.560
  514    HB2  LEU  85           1HB      LEU  85  -8.105  -5.114  -1.764
  515    HB3  LEU  85           2HB      LEU  85  -7.782  -3.910  -3.013
  516    HG   LEU  85           HG       LEU  85  -9.387  -2.350  -1.930
  517   HD11  LEU  85          1HD1      LEU  85 -10.924  -3.895  -0.803
  518   HD12  LEU  85          2HD1      LEU  85  -9.604  -4.535   0.192
  519   HD13  LEU  85          3HD1      LEU  85 -10.151  -2.863   0.409
  520   HD21  LEU  85          3HD2      LEU  85  -7.969  -1.840   0.008
  521   HD22  LEU  85          1HD2      LEU  85  -7.242  -3.461  -0.067
  522   HD23  LEU  85          2HD2      LEU  85  -6.981  -2.301  -1.388
  523    H    ASP  86           H        ASP  86 -12.024  -3.932  -2.729
  524    HA   ASP  86           HA       ASP  86 -13.611  -2.725  -3.775
  525    HB2  ASP  86           1HB      ASP  86 -11.930  -0.904  -3.375
  526    HB3  ASP  86           2HB      ASP  86 -11.363  -1.111  -5.030
  527    H    SER  87           H        SER  87 -12.773  -5.140  -5.006
  528    HA   SER  87           HA       SER  87 -13.020  -6.443  -6.844
  529    HB2  SER  87           1HB      SER  87 -14.688  -4.190  -8.002
  530    HB3  SER  87           2HB      SER  87 -14.643  -5.873  -8.537
  531    HG   SER  87           HG       SER  87 -16.425  -5.441  -7.127
  532    H    LYS  88           H        LYS  88 -10.780  -4.342  -6.752
  533    HA   LYS  88           HA       LYS  88  -9.988  -4.352  -9.642
  534    HB2  LYS  88           1HB      LYS  88  -9.393  -2.445  -7.347
  535    HB3  LYS  88           2HB      LYS  88  -8.466  -2.439  -8.833
  536    HG2  LYS  88           1HG      LYS  88 -11.462  -2.295  -9.116
  537    HG3  LYS  88           2HG      LYS  88 -10.650  -0.902  -8.419
  538    HD2  LYS  88           1HD      LYS  88  -9.136  -0.788 -10.410
  539    HD3  LYS  88           2HD      LYS  88  -9.999  -2.168 -11.101
  540    HE2  LYS  88           1HE      LYS  88 -10.916  -0.148 -12.088
  541    HE3  LYS  88           2HE      LYS  88 -12.133  -0.830 -11.007
  542    HZ1  LYS  88           3HZ      LYS  88 -11.960   1.553 -10.690
  543    HZ2  LYS  88           1HZ      LYS  88 -11.420   0.838  -9.322
  544    HZ3  LYS  88           2HZ      LYS  88 -10.361   1.480 -10.393
  545    H    THR  89           H        THR  89  -8.102  -5.240 -10.183
  546    HA   THR  89           HA       THR  89  -6.965  -7.208  -8.346
  547    HB   THR  89           HB       THR  89  -6.152  -6.500 -11.190
  548    HG1  THR  89           1HG      THR  89  -7.518  -8.233 -11.673
  549   HG21  THR  89          3HG2      THR  89  -5.280  -8.875 -11.151
  550   HG22  THR  89          1HG2      THR  89  -4.380  -7.777 -10.095
  551   HG23  THR  89          2HG2      THR  89  -5.558  -8.899  -9.394
  552    H    ILE  90           H        ILE  90  -5.548  -6.636  -6.822
  553    HA   ILE  90           HA       ILE  90  -3.744  -4.324  -7.319
  554    HB   ILE  90           HB       ILE  90  -3.404  -4.116  -5.012
  555   HG12  ILE  90          1HG1      ILE  90  -5.004  -6.632  -4.479
  556   HG13  ILE  90          2HG1      ILE  90  -3.240  -6.478  -4.365
  557   HG21  ILE  90          1HG2      ILE  90  -5.586  -3.279  -6.013
  558   HG22  ILE  90          2HG2      ILE  90  -6.379  -4.723  -5.352
  559   HG23  ILE  90          3HG2      ILE  90  -5.655  -3.541  -4.269
  560   HD11  ILE  90          3HD1      ILE  90  -4.042  -6.256  -2.154
  561   HD12  ILE  90          1HD1      ILE  90  -3.579  -4.620  -2.679
  562   HD13  ILE  90          2HD1      ILE  90  -5.295  -5.095  -2.627
  563    H    ASP  91           H        ASP  91  -1.550  -4.372  -6.658
  564    HA   ASP  91           HA       ASP  91  -0.177  -6.996  -7.087
  565    HB2  ASP  91           1HB      ASP  91  -0.448  -5.838  -9.217
  566    HB3  ASP  91           2HB      ASP  91   0.271  -4.378  -8.539
  567    HA   PRO  92           HA       PRO  92   1.859  -4.771  -3.636
  568    HB2  PRO  92           1HB      PRO  92   1.563  -6.694  -1.685
  569    HB3  PRO  92           2HB      PRO  92   0.370  -5.428  -2.060
  570    HG2  PRO  92           1HG      PRO  92   0.187  -8.323  -2.645
  571    HG3  PRO  92           2HG      PRO  92  -1.104  -7.072  -2.591
  572    HD2  PRO  92           1HD      PRO  92   0.265  -8.170  -4.897
  573    HD3  PRO  92           2HD      PRO  92  -1.085  -7.014  -4.827
  574    H    LYS  93           H        LYS  93   3.940  -4.917  -2.967
  575    HA   LYS  93           HA       LYS  93   5.612  -7.300  -3.400
  576    HB2  LYS  93           1HB      LYS  93   6.953  -6.271  -5.168
  577    HB3  LYS  93           2HB      LYS  93   5.268  -6.361  -5.657
  578    HG2  LYS  93           1HG      LYS  93   5.093  -3.898  -4.786
  579    HG3  LYS  93           2HG      LYS  93   6.853  -3.918  -4.753
  580    HD2  LYS  93           1HD      LYS  93   6.129  -2.893  -6.803
  581    HD3  LYS  93           2HD      LYS  93   6.841  -4.466  -7.211
  582    HE2  LYS  93           1HE      LYS  93   4.595  -5.464  -7.399
  583    HE3  LYS  93           2HE      LYS  93   3.841  -3.968  -6.845
  584    HZ1  LYS  93           3HZ      LYS  93   3.802  -4.311  -9.270
  585    HZ2  LYS  93           1HZ      LYS  93   4.491  -2.893  -8.860
  586    HZ3  LYS  93           2HZ      LYS  93   5.433  -4.161  -9.341
  587    H    VAL  94           H        VAL  94   7.947  -6.835  -2.886
  588    HA   VAL  94           HA       VAL  94   8.101  -5.620  -0.296
  589    HB   VAL  94           HB       VAL  94  10.411  -6.430  -2.110
  590   HG11  VAL  94          1HG1      VAL  94  11.230  -5.000  -0.296
  591   HG12  VAL  94          2HG1      VAL  94  10.304  -5.930   0.904
  592   HG13  VAL  94          3HG1      VAL  94  11.674  -6.669   0.046
  593   HG21  VAL  94          3HG2      VAL  94  10.417  -8.521  -0.721
  594   HG22  VAL  94          1HG2      VAL  94   8.898  -7.993   0.033
  595   HG23  VAL  94          2HG2      VAL  94   8.970  -8.357  -1.708
  596    H    ALA  95           H        ALA  95   8.745  -3.645   0.417
  597    HA   ALA  95           HA       ALA  95   8.867  -1.446  -1.500
  598    HB1  ALA  95           1HB      ALA  95   7.615  -1.277   0.618
  599    HB2  ALA  95           2HB      ALA  95   9.119  -1.514   1.535
  600    HB3  ALA  95           3HB      ALA  95   8.902  -0.059   0.541
  601    H    PHE  96           H        PHE  96  10.613  -0.182  -2.049
  602    HA   PHE  96           HA       PHE  96  13.235  -1.159  -1.975
  603    HB2  PHE  96           1HB      PHE  96  12.334   1.735  -2.190
  604    HB3  PHE  96           2HB      PHE  96  13.909   1.126  -2.666
  605    HD1  PHE  96           1HD      PHE  96  12.720  -1.498  -4.081
  606    HD2  PHE  96           2HD      PHE  96  11.908   2.736  -4.332
  607    HE1  PHE  96           1HE      PHE  96  11.926  -1.782  -6.401
  608    HE2  PHE  96           2HE      PHE  96  11.119   2.440  -6.661
  609    HZ   PHE  96           HZ       PHE  96  11.119   0.180  -7.701
  610    HA   PRO  97           HA       PRO  97  14.909  -0.382   2.063
  611    HB2  PRO  97           1HB      PRO  97  17.330   0.687   0.596
  612    HB3  PRO  97           2HB      PRO  97  17.262  -0.460   1.971
  613    HG2  PRO  97           1HG      PRO  97  17.632  -1.389  -0.539
  614    HG3  PRO  97           2HG      PRO  97  16.474  -2.221   0.552
  615    HD2  PRO  97           1HD      PRO  97  15.882  -0.229  -1.651
  616    HD3  PRO  97           2HD      PRO  97  15.071  -1.777  -1.260
  617    H    ARG  98           H        ARG  98  15.062   1.217   3.567
  618    HA   ARG  98           HA       ARG  98  15.253   4.085   2.868
  619    HB2  ARG  98           1HB      ARG  98  12.823   2.694   4.080
  620    HB3  ARG  98           2HB      ARG  98  13.120   4.404   4.321
  621    HG2  ARG  98           1HG      ARG  98  12.651   3.118   1.598
  622    HG3  ARG  98           2HG      ARG  98  11.462   3.943   2.594
  623    HD2  ARG  98           1HD      ARG  98  12.054   5.624   1.131
  624    HD3  ARG  98           2HD      ARG  98  13.066   5.971   2.544
  625    HE   ARG  98           HE       ARG  98  14.438   4.265   0.675
  626   HH11  ARG  98          1HH1      ARG  98  13.604   7.671   1.192
  627   HH12  ARG  98          2HH1      ARG  98  14.903   8.230   0.172
  628   HH21  ARG  98          1HH2      ARG  98  16.085   5.042  -0.591
  629   HH22  ARG  98          2HH2      ARG  98  16.305   6.752  -0.818
  630    H    ARG  99           H        ARG  99  15.654   5.428   4.597
  631    HA   ARG  99           HA       ARG  99  16.007   4.340   7.338
  632    HB2  ARG  99           1HB      ARG  99  18.118   5.890   5.773
  633    HB3  ARG  99           2HB      ARG  99  18.151   5.678   7.515
  634    HG2  ARG  99           1HG      ARG  99  18.348   3.456   5.439
  635    HG3  ARG  99           2HG      ARG  99  19.671   4.129   6.379
  636    HD2  ARG  99           1HD      ARG  99  17.329   2.524   7.464
  637    HD3  ARG  99           2HD      ARG  99  18.990   1.982   7.295
  638    HE   ARG  99           HE       ARG  99  19.629   3.778   8.934
  639   HH11  ARG  99          1HH1      ARG  99  16.383   2.369   9.129
  640   HH12  ARG  99          2HH1      ARG  99  16.184   2.848  10.787
  641   HH21  ARG  99          1HH2      ARG  99  19.309   4.338  11.069
  642   HH22  ARG  99          2HH2      ARG  99  17.825   3.926  11.872
  643    H    ALA 100           H        ALA 100  14.883   5.561   8.653
  644    HA   ALA 100           HA       ALA 100  14.770   8.452   8.667
  645    HB1  ALA 100           1HB      ALA 100  13.248   8.033   6.746
  646    HB2  ALA 100           2HB      ALA 100  12.303   6.894   7.730
  647    HB3  ALA 100           3HB      ALA 100  12.335   8.622   8.138
  648    H    GLN 101           H        GLN 101  13.241   9.239  10.398
  649    HA   GLN 101           HA       GLN 101  12.268   7.327  12.373
  650    HB2  GLN 101           1HB      GLN 101  13.590   8.331  14.155
  651    HB3  GLN 101           2HB      GLN 101  14.645   7.563  12.980
  652    HG2  GLN 101           1HG      GLN 101  15.415   9.676  12.151
  653    HG3  GLN 101           2HG      GLN 101  14.101  10.566  12.922
  654   HE21  GLN 101          2HE2      GLN 101  14.074  10.777  15.303
  655   HE22  GLN 101          1HE2      GLN 101  15.616  10.686  16.151
  656    HA   PRO 102           HA       PRO 102   9.601  10.920  13.192
  657    HB2  PRO 102           1HB      PRO 102   8.742  10.461  15.735
  658    HB3  PRO 102           2HB      PRO 102   8.209   9.455  14.352
  659    HG2  PRO 102           1HG      PRO 102  10.440   8.868  16.330
  660    HG3  PRO 102           2HG      PRO 102   9.104   7.786  15.818
  661    HD2  PRO 102           1HD      PRO 102  11.574   7.655  14.689
  662    HD3  PRO 102           2HD      PRO 102  10.098   7.396  13.717
  663    H    LYS 103           H        LYS 103   9.595  12.868  14.462
  664    HA   LYS 103           HA       LYS 103  11.605  13.452  16.473
  665    HB2  LYS 103           1HB      LYS 103  12.960  13.511  14.362
  666    HB3  LYS 103           2HB      LYS 103  11.893  14.777  13.740
  667    HG2  LYS 103           1HG      LYS 103  12.555  16.262  15.614
  668    HG3  LYS 103           2HG      LYS 103  13.562  14.966  16.294
  669    HD2  LYS 103           1HD      LYS 103  14.969  14.987  14.250
  670    HD3  LYS 103           2HD      LYS 103  13.956  16.279  13.566
  671    HE2  LYS 103           1HE      LYS 103  14.535  17.743  15.491
  672    HE3  LYS 103           2HE      LYS 103  15.542  16.459  16.170
  673    HZ1  LYS 103           3HZ      LYS 103  16.872  18.056  14.919
  674    HZ2  LYS 103           1HZ      LYS 103  16.949  16.603  14.183
  675    HZ3  LYS 103           2HZ      LYS 103  16.017  17.791  13.555
  676    H5'    G 104           H5'        G 104  -4.559  -0.292 -13.843
  677   H5''    G 104          H5"         G 104  -2.943   0.080 -13.230
  678    H4'    G 104           H4'        G 104  -3.922   2.044 -14.276
  679    H3'    G 104           H3'        G 104  -2.968   2.035 -11.546
  680    H2'    G 104           H2'        G 104  -4.946   2.756 -10.622
  681   HO2'    G 104          HO2         G 104  -3.622   4.937 -11.734
  682    H1'    G 104           H1'        G 104  -5.727   4.101 -13.224
  683    H8     G 104           8H         G 104  -7.041   2.352 -10.022
  684    H1     G 104           1H         G 104 -11.544   5.184 -13.632
  685    H21    G 104           1H2        G 104 -10.568   6.008 -15.492
  686    H22    G 104           2H2        G 104  -8.847   5.774 -15.744
  687   HO5'    G 104          H5T         G 104  -5.360  -0.149 -11.718
  688    H5'    U 105           H5'        U 105  -1.352   3.292 -10.394
  689   H5''    U 105          H5"         U 105  -0.198   4.419 -11.108
  690    H4'    U 105           H4'        U 105   0.700   3.530  -9.076
  691    H3'    U 105           H3'        U 105   2.143   3.568 -11.403
  692    H2'    U 105           H2'        U 105   1.687   1.329 -11.994
  693   HO2'    U 105          HO2         U 105   4.179   1.654 -10.998
  694    H1'    U 105           H1'        U 105   2.142   0.464  -9.143
  695    H3     U 105           3H         U 105   1.536  -3.829 -10.518
  696    H5     U 105           5H         U 105  -1.649  -1.806 -12.335
  697    H6     U 105           6H         U 105  -0.775   0.294 -11.447
  698    H5'    A 106           H5'        A 106   3.793   4.568  -7.059
  699   H5''    A 106          H5"         A 106   4.106   5.958  -8.088
  700    H4'    A 106           H4'        A 106   5.056   6.404  -5.969
  701    H3'    A 106           H3'        A 106   6.552   6.632  -8.264
  702    H2'    A 106           H2'        A 106   7.609   4.543  -8.136
  703   HO2'    A 106          HO2         A 106   9.180   6.487  -6.870
  704    H1'    A 106           H1'        A 106   8.046   4.794  -5.164
  705    H8     A 106           8H         A 106   6.953   2.364  -8.019
  706    H61    A 106           1H6        A 106   9.054  -1.960  -3.975
  707    H62    A 106           2H6        A 106   8.434  -1.758  -5.613
  708    H2     A 106           2H         A 106   9.377   1.890  -2.070
  709    H5'    G 107           H5'        G 107   7.719   8.824  -3.781
  710   H5''    G 107          H5"         G 107   7.099   7.181  -3.608
  711    H4'    G 107           H4'        G 107   5.440   9.374  -2.401
  712    H3'    G 107           H3'        G 107   8.183   8.581  -1.389
  713    H2'    G 107           H2'        G 107   7.307   8.859   0.819
  714   HO2'    G 107          HO2         G 107   6.132  10.907   0.059
  715    H1'    G 107           H1'        G 107   4.712   7.956   0.223
  716    H8     G 107           8H         G 107   4.751   6.373   2.173
  717    H1     G 107           1H         G 107  10.264   3.609   0.322
  718    H21    G 107           1H2        G 107  11.070   4.721  -1.483
  719    H22    G 107           2H2        G 107  10.181   6.094  -2.110
  720    H5'    U 108           H5'        U 108  10.104  12.146   1.547
  721   H5''    U 108          H5"         U 108  11.217  11.335   0.446
  722    H4'    U 108           H4'        U 108  11.796  10.676   2.624
  723    H3'    U 108           H3'        U 108  11.161   8.726   0.735
  724   HO3'    U 108          H3T         U 108  12.295   8.558   3.375
  725    H2'    U 108           H2'        U 108   9.056   8.211   1.609
  726   HO2'    U 108          HO2         U 108  10.857   6.626   3.155
  727    H1'    U 108           H1'        U 108  10.095   8.519   4.433
  728    H3     U 108           3H         U 108   5.996   7.302   5.972
  729    H5     U 108           5H         U 108   5.137  10.331   3.214
  730    H6     U 108           6H         U 108   7.494  10.382   2.585
  Start of MODEL    4
    1    H    CYS  20           1H       CYS  20  11.234  -5.625   6.121
    2    HA   CYS  20           HA       CYS  20   9.030  -6.494   5.708
    3    HB2  CYS  20           1HB      CYS  20   7.142  -5.777   7.152
    4    HB3  CYS  20           2HB      CYS  20   8.315  -6.703   8.070
    5    HG   CYS  20           HG       CYS  20   7.316  -4.730   9.526
    6    H    LYS  21           H        LYS  21   7.011  -4.721   5.480
    7    HA   LYS  21           HA       LYS  21   6.183  -2.827   4.663
    8    HB2  LYS  21           1HB      LYS  21   8.034  -1.494   5.672
    9    HB3  LYS  21           2HB      LYS  21   8.900  -1.602   4.129
   10    HG2  LYS  21           1HG      LYS  21   7.141  -0.427   2.962
   11    HG3  LYS  21           2HG      LYS  21   6.036  -0.590   4.327
   12    HD2  LYS  21           1HD      LYS  21   7.528   0.899   5.682
   13    HD3  LYS  21           2HD      LYS  21   8.545   1.130   4.245
   14    HE2  LYS  21           1HE      LYS  21   6.680   2.068   2.996
   15    HE3  LYS  21           2HE      LYS  21   5.531   1.659   4.283
   16    HZ1  LYS  21           3HZ      LYS  21   6.356   4.025   4.134
   17    HZ2  LYS  21           1HZ      LYS  21   6.362   3.352   5.633
   18    HZ3  LYS  21           2HZ      LYS  21   7.769   3.511   4.757
   19    H    MET  22           H        MET  22   5.276  -2.406   2.813
   20    HA   MET  22           HA       MET  22   6.365  -3.521   0.274
   21    HB2  MET  22           1HB      MET  22   3.660  -4.160   1.537
   22    HB3  MET  22           2HB      MET  22   4.186  -4.640  -0.076
   23    HG2  MET  22           1HG      MET  22   6.128  -5.869   1.018
   24    HG3  MET  22           2HG      MET  22   5.394  -5.496   2.573
   25    HE1  MET  22           3HE      MET  22   4.048  -8.538  -0.564
   26    HE2  MET  22           1HE      MET  22   3.904  -6.812  -0.962
   27    HE3  MET  22           2HE      MET  22   5.491  -7.506  -0.556
   28    H    PHE  23           H        PHE  23   5.746  -2.552  -1.497
   29    HA   PHE  23           HA       PHE  23   4.078  -0.091  -1.514
   30    HB2  PHE  23           1HB      PHE  23   6.061   0.124  -2.800
   31    HB3  PHE  23           2HB      PHE  23   5.952  -1.508  -3.436
   32    HD1  PHE  23           2HD      PHE  23   4.229  -2.093  -5.162
   33    HD2  PHE  23           1HD      PHE  23   5.005   1.980  -4.008
   34    HE1  PHE  23           2HE      PHE  23   3.171  -1.311  -7.259
   35    HE2  PHE  23           1HE      PHE  23   3.952   2.749  -6.128
   36    HZ   PHE  23           HZ       PHE  23   3.039   1.129  -7.744
   37    H    ILE  24           H        ILE  24   2.048  -0.112  -2.432
   38    HA   ILE  24           HA       ILE  24   0.906  -2.789  -3.200
   39    HB   ILE  24           HB       ILE  24  -0.634  -0.535  -1.887
   40   HG12  ILE  24          1HG1      ILE  24   0.985  -1.101  -0.204
   41   HG13  ILE  24          2HG1      ILE  24  -0.605  -1.682   0.233
   42   HG21  ILE  24          1HG2      ILE  24  -1.905  -2.189  -3.186
   43   HG22  ILE  24          2HG2      ILE  24  -1.208  -3.510  -2.239
   44   HG23  ILE  24          3HG2      ILE  24  -2.262  -2.320  -1.456
   45   HD11  ILE  24          3HD1      ILE  24   1.205  -3.260   0.837
   46   HD12  ILE  24          1HD1      ILE  24   0.032  -3.987  -0.264
   47   HD13  ILE  24          2HD1      ILE  24   1.618  -3.458  -0.866
   48    H    GLY  25           H        GLY  25   0.824  -2.708  -5.401
   49    HA2  GLY  25           1HA      GLY  25  -0.045  -0.221  -6.801
   50    HA3  GLY  25           2HA      GLY  25   0.708  -1.657  -7.523
   51    H    GLY  26           H        GLY  26  -1.508  -0.458  -8.665
   52    HA2  GLY  26           1HA      GLY  26  -3.365  -1.237  -9.817
   53    HA3  GLY  26           2HA      GLY  26  -3.228  -2.787  -8.962
   54    H    LEU  27           H        LEU  27  -3.502   0.048  -6.965
   55    HA   LEU  27           HA       LEU  27  -5.951  -0.883  -5.736
   56    HB2  LEU  27           1HB      LEU  27  -4.532   1.810  -5.521
   57    HB3  LEU  27           2HB      LEU  27  -5.837   1.268  -4.491
   58    HG   LEU  27           HG       LEU  27  -3.041   0.064  -4.592
   59   HD11  LEU  27          1HD1      LEU  27  -3.330   2.278  -3.447
   60   HD12  LEU  27          2HD1      LEU  27  -4.568   1.565  -2.413
   61   HD13  LEU  27          3HD1      LEU  27  -2.889   0.978  -2.322
   62   HD21  LEU  27          3HD2      LEU  27  -3.973  -1.205  -2.534
   63   HD22  LEU  27          1HD2      LEU  27  -5.567  -0.905  -3.248
   64   HD23  LEU  27          2HD2      LEU  27  -4.319  -1.789  -4.159
   65    H    SER  28           H        SER  28  -7.835   0.611  -5.376
   66    HA   SER  28           HA       SER  28  -8.913   1.560  -7.973
   67    HB2  SER  28           1HB      SER  28 -10.163   0.128  -6.185
   68    HB3  SER  28           2HB      SER  28 -10.321   1.648  -5.302
   69    HG   SER  28           HG       SER  28 -12.091   1.244  -6.636
   70    H    TRP  29           H        TRP  29  -9.585   3.748  -8.289
   71    HA   TRP  29           HA       TRP  29  -8.126   5.814  -6.931
   72    HB2  TRP  29           1HB      TRP  29 -10.419   5.800  -8.878
   73    HB3  TRP  29           2HB      TRP  29  -9.773   7.294  -8.191
   74    HD1  TRP  29           HD       TRP  29  -6.901   5.092  -8.769
   75    HE1  TRP  29           1HE      TRP  29  -5.743   5.579 -10.976
   76    HE3  TRP  29           3HE      TRP  29 -10.508   8.011 -10.943
   77    HZ2  TRP  29           2HZ      TRP  29  -6.220   7.185 -13.340
   78    HZ3  TRP  29           3HZ      TRP  29 -10.143   8.969 -13.202
   79    HH2  TRP  29           HH       TRP  29  -8.007   8.565 -14.410
   80    H    GLN  30           H        GLN  30 -10.790   4.133  -5.804
   81    HA   GLN  30           HA       GLN  30 -11.343   6.247  -3.760
   82    HB2  GLN  30           1HB      GLN  30 -13.575   5.350  -3.518
   83    HB3  GLN  30           2HB      GLN  30 -13.279   5.828  -5.189
   84    HG2  GLN  30           1HG      GLN  30 -12.903   3.451  -5.813
   85    HG3  GLN  30           2HG      GLN  30 -13.151   2.968  -4.133
   86   HE21  GLN  30          2HE2      GLN  30 -14.762   1.551  -5.334
   87   HE22  GLN  30          1HE2      GLN  30 -16.389   2.218  -5.543
   88    H    THR  31           H        THR  31  -9.388   3.663  -3.990
   89    HA   THR  31           HA       THR  31 -10.027   2.218  -1.542
   90    HB   THR  31           HB       THR  31  -7.396   2.526  -3.058
   91    HG1  THR  31           1HG      THR  31  -9.337   0.443  -3.008
   92   HG21  THR  31          3HG2      THR  31  -6.846   0.349  -1.890
   93   HG22  THR  31          1HG2      THR  31  -6.876   1.750  -0.821
   94   HG23  THR  31          2HG2      THR  31  -8.244   0.611  -0.832
   95    H    THR  32           H        THR  32  -9.330   2.608   0.513
   96    HA   THR  32           HA       THR  32  -7.779   5.100   1.085
   97    HB   THR  32           HB       THR  32  -8.971   5.259   3.204
   98    HG1  THR  32           1HG      THR  32 -10.814   3.835   3.468
   99   HG21  THR  32          3HG2      THR  32 -11.160   5.933   2.427
  100   HG22  THR  32          1HG2      THR  32  -9.967   6.371   1.192
  101   HG23  THR  32          2HG2      THR  32 -11.008   4.951   0.956
  102    H    GLN  33           H        GLN  33  -6.442   5.007   2.992
  103    HA   GLN  33           HA       GLN  33  -4.909   2.569   3.185
  104    HB2  GLN  33           1HB      GLN  33  -3.636   3.815   4.932
  105    HB3  GLN  33           2HB      GLN  33  -3.751   4.537   3.340
  106    HG2  GLN  33           1HG      GLN  33  -5.614   6.047   4.273
  107    HG3  GLN  33           2HG      GLN  33  -5.118   5.471   5.870
  108   HE21  GLN  33          2HE2      GLN  33  -3.704   7.007   6.815
  109   HE22  GLN  33          1HE2      GLN  33  -2.561   7.965   5.890
  110    H    GLU  34           H        GLU  34  -7.622   3.736   5.051
  111    HA   GLU  34           HA       GLU  34  -7.363   1.733   7.161
  112    HB2  GLU  34           1HB      GLU  34  -9.775   3.288   6.136
  113    HB3  GLU  34           2HB      GLU  34  -9.781   2.213   7.541
  114    HG2  GLU  34           1HG      GLU  34  -8.029   3.616   8.620
  115    HG3  GLU  34           2HG      GLU  34  -8.076   4.725   7.247
  116    H    GLY  35           H        GLY  35  -8.887   1.865   3.919
  117    HA2  GLY  35           1HA      GLY  35 -10.084  -0.755   3.957
  118    HA3  GLY  35           2HA      GLY  35  -9.670   0.221   2.526
  119    H    LEU  36           H        LEU  36  -6.815   0.425   3.023
  120    HA   LEU  36           HA       LEU  36  -5.824  -2.130   2.197
  121    HB2  LEU  36           1HB      LEU  36  -4.239   0.093   3.583
  122    HB3  LEU  36           2HB      LEU  36  -3.576  -1.273   2.713
  123    HG   LEU  36           HG       LEU  36  -5.038   1.102   1.538
  124   HD11  LEU  36          1HD1      LEU  36  -2.632   1.368   2.094
  125   HD12  LEU  36          2HD1      LEU  36  -2.253  -0.033   1.069
  126   HD13  LEU  36          3HD1      LEU  36  -2.926   1.437   0.348
  127   HD21  LEU  36          3HD2      LEU  36  -4.687   0.043  -0.670
  128   HD22  LEU  36          1HD2      LEU  36  -4.233  -1.474   0.142
  129   HD23  LEU  36          2HD2      LEU  36  -5.872  -0.792   0.328
  130    H    ARG  37           H        ARG  37  -5.699  -0.644   5.498
  131    HA   ARG  37           HA       ARG  37  -4.602  -2.941   6.755
  132    HB2  ARG  37           1HB      ARG  37  -4.802  -0.777   7.875
  133    HB3  ARG  37           2HB      ARG  37  -6.567  -0.878   7.851
  134    HG2  ARG  37           1HG      ARG  37  -6.535  -2.828   9.350
  135    HG3  ARG  37           2HG      ARG  37  -4.767  -2.884   9.277
  136    HD2  ARG  37           1HD      ARG  37  -4.750  -0.557  10.250
  137    HD3  ARG  37           2HD      ARG  37  -6.510  -0.668  10.404
  138    HE   ARG  37           HE       ARG  37  -4.842  -2.778  11.708
  139   HH11  ARG  37          1HH1      ARG  37  -6.712   0.194  12.246
  140   HH12  ARG  37          2HH1      ARG  37  -6.982  -0.184  13.920
  141   HH21  ARG  37          1HH2      ARG  37  -5.329  -3.248  13.816
  142   HH22  ARG  37          2HH2      ARG  37  -6.177  -2.086  14.811
  143    H    GLU  38           H        GLU  38  -8.003  -2.191   6.046
  144    HA   GLU  38           HA       GLU  38  -9.200  -4.361   7.317
  145    HB2  GLU  38           1HB      GLU  38 -10.131  -2.252   5.896
  146    HB3  GLU  38           2HB      GLU  38 -10.342  -3.503   4.666
  147    HG2  GLU  38           1HG      GLU  38 -11.585  -4.861   6.383
  148    HG3  GLU  38           2HG      GLU  38 -11.369  -3.524   7.524
  149    H    TYR  39           H        TYR  39  -7.635  -4.313   4.118
  150    HA   TYR  39           HA       TYR  39  -8.331  -7.119   3.541
  151    HB2  TYR  39           1HB      TYR  39  -8.262  -5.372   1.795
  152    HB3  TYR  39           2HB      TYR  39  -6.542  -5.137   2.081
  153    HD1  TYR  39           2HD      TYR  39  -9.086  -7.720   1.129
  154    HD2  TYR  39           1HD      TYR  39  -4.945  -6.528   0.960
  155    HE1  TYR  39           2HE      TYR  39  -8.595  -9.655  -0.345
  156    HE2  TYR  39           1HE      TYR  39  -4.450  -8.448  -0.530
  157    HH   TYR  39           HH       TYR  39  -6.993 -10.831  -1.463
  158    H    PHE  40           H        PHE  40  -5.403  -5.272   4.435
  159    HA   PHE  40           HA       PHE  40  -3.721  -7.600   4.191
  160    HB2  PHE  40           1HB      PHE  40  -3.255  -4.720   4.920
  161    HB3  PHE  40           2HB      PHE  40  -1.980  -5.884   5.128
  162    HD1  PHE  40           2HD      PHE  40  -1.753  -7.616   2.976
  163    HD2  PHE  40           1HD      PHE  40  -3.337  -3.613   2.813
  164    HE1  PHE  40           2HE      PHE  40  -1.379  -7.564   0.529
  165    HE2  PHE  40           1HE      PHE  40  -2.978  -3.570   0.370
  166    HZ   PHE  40           HZ       PHE  40  -2.003  -5.543  -0.784
  167    H    GLY  41           H        GLY  41  -5.474  -6.302   6.891
  168    HA2  GLY  41           1HA      GLY  41  -4.062  -7.555   9.026
  169    HA3  GLY  41           2HA      GLY  41  -5.782  -7.131   9.007
  170    H    GLN  42           H        GLN  42  -5.753  -9.086   6.466
  171    HA   GLN  42           HA       GLN  42  -6.519 -11.553   7.814
  172    HB2  GLN  42           1HB      GLN  42  -5.853 -11.014   4.885
  173    HB3  GLN  42           2HB      GLN  42  -6.676 -12.439   5.519
  174    HG2  GLN  42           1HG      GLN  42  -8.572 -11.012   6.272
  175    HG3  GLN  42           2HG      GLN  42  -7.757  -9.591   5.612
  176   HE21  GLN  42          2HE2      GLN  42  -7.249  -9.633   3.220
  177   HE22  GLN  42          1HE2      GLN  42  -8.390 -10.474   2.172
  178    H    PHE  43           H        PHE  43  -3.527 -10.279   6.490
  179    HA   PHE  43           HA       PHE  43  -2.158 -12.921   6.577
  180    HB2  PHE  43           1HB      PHE  43  -1.190 -10.235   5.522
  181    HB3  PHE  43           2HB      PHE  43  -0.435 -11.796   5.278
  182    HD1  PHE  43           2HD      PHE  43  -1.454 -13.458   3.711
  183    HD2  PHE  43           1HD      PHE  43  -3.188  -9.578   4.269
  184    HE1  PHE  43           2HE      PHE  43  -2.797 -13.768   1.646
  185    HE2  PHE  43           1HE      PHE  43  -4.535  -9.864   2.206
  186    HZ   PHE  43           HZ       PHE  43  -4.347 -11.971   0.895
  187    H    GLY  44           H        GLY  44  -2.057  -9.678   8.013
  188    HA2  GLY  44           1HA      GLY  44  -1.211 -10.530  10.570
  189    HA3  GLY  44           2HA      GLY  44   0.212  -9.939   9.723
  190    H    GLU  45           H        GLU  45  -1.062  -8.710  12.071
  191    HA   GLU  45           HA       GLU  45  -2.588  -6.421  11.299
  192    HB2  GLU  45           1HB      GLU  45  -2.490  -7.278  13.609
  193    HB3  GLU  45           2HB      GLU  45  -0.789  -6.823  13.720
  194    HG2  GLU  45           1HG      GLU  45  -2.257  -5.213  14.846
  195    HG3  GLU  45           2HG      GLU  45  -1.363  -4.451  13.541
  196    H    VAL  46           H        VAL  46  -1.979  -4.246  11.021
  197    HA   VAL  46           HA       VAL  46   0.659  -4.036   9.689
  198    HB   VAL  46           HB       VAL  46  -0.204  -2.351   8.315
  199   HG11  VAL  46          1HG1      VAL  46  -0.708  -4.707   7.686
  200   HG12  VAL  46          2HG1      VAL  46  -2.307  -4.552   8.449
  201   HG13  VAL  46          3HG1      VAL  46  -1.894  -3.558   7.046
  202   HG21  VAL  46          3HG2      VAL  46  -2.597  -1.655   8.335
  203   HG22  VAL  46          1HG2      VAL  46  -2.720  -2.372   9.962
  204   HG23  VAL  46          2HG2      VAL  46  -1.616  -1.013   9.659
  205    H    LYS  47           H        LYS  47   2.121  -2.655  10.204
  206    HA   LYS  47           HA       LYS  47   2.036  -1.169  12.748
  207    HB2  LYS  47           1HB      LYS  47   3.904  -2.675  11.998
  208    HB3  LYS  47           2HB      LYS  47   4.233  -1.576  10.660
  209    HG2  LYS  47           1HG      LYS  47   4.854   0.207  12.224
  210    HG3  LYS  47           2HG      LYS  47   4.345  -0.792  13.599
  211    HD2  LYS  47           1HD      LYS  47   6.101  -2.470  13.001
  212    HD3  LYS  47           2HD      LYS  47   6.627  -1.416  11.669
  213    HE2  LYS  47           1HE      LYS  47   7.101   0.400  13.313
  214    HE3  LYS  47           2HE      LYS  47   6.572  -0.655  14.630
  215    HZ1  LYS  47           3HZ      LYS  47   8.982  -0.672  14.397
  216    HZ2  LYS  47           1HZ      LYS  47   8.401  -2.161  14.072
  217    HZ3  LYS  47           2HZ      LYS  47   8.890  -1.187  12.851
  218    H    GLU  48           H        GLU  48   1.741  -0.517   9.350
  219    HA   GLU  48           HA       GLU  48   1.057   2.278   9.681
  220    HB2  GLU  48           1HB      GLU  48   3.517   2.471   9.750
  221    HB3  GLU  48           2HB      GLU  48   3.655   1.516   8.278
  222    HG2  GLU  48           1HG      GLU  48   2.594   3.284   6.965
  223    HG3  GLU  48           2HG      GLU  48   2.296   4.226   8.433
  224    H    CYS  49           H        CYS  49  -0.098   2.988   7.855
  225    HA   CYS  49           HA       CYS  49   0.008   1.485   5.351
  226    HB2  CYS  49           1HB      CYS  49  -2.450   1.175   5.241
  227    HB3  CYS  49           2HB      CYS  49  -1.709   0.228   6.535
  228    HG   CYS  49           HG       CYS  49  -4.197   1.498   6.932
  229    H    LEU  50           H        LEU  50  -0.525   2.696   3.578
  230    HA   LEU  50           HA       LEU  50  -1.258   5.559   3.902
  231    HB2  LEU  50           1HB      LEU  50   1.321   4.429   2.784
  232    HB3  LEU  50           2HB      LEU  50   0.757   6.040   2.394
  233    HG   LEU  50           HG       LEU  50   1.490   5.109   5.197
  234   HD11  LEU  50          1HD1      LEU  50   3.428   5.205   3.680
  235   HD12  LEU  50          2HD1      LEU  50   2.983   6.848   3.170
  236   HD13  LEU  50          3HD1      LEU  50   3.492   6.535   4.846
  237   HD21  LEU  50          3HD2      LEU  50   1.421   7.551   5.720
  238   HD22  LEU  50          1HD2      LEU  50   0.798   7.877   4.088
  239   HD23  LEU  50          2HD2      LEU  50  -0.171   6.947   5.253
  240    H    VAL  51           H        VAL  51  -2.206   6.447   2.141
  241    HA   VAL  51           HA       VAL  51  -1.980   5.079  -0.521
  242    HB   VAL  51           HB       VAL  51  -4.518   6.236   0.702
  243   HG11  VAL  51          1HG1      VAL  51  -4.381   7.079  -1.603
  244   HG12  VAL  51          2HG1      VAL  51  -3.981   5.453  -2.201
  245   HG13  VAL  51          3HG1      VAL  51  -5.583   5.797  -1.514
  246   HG21  VAL  51          3HG2      VAL  51  -5.460   4.021   0.106
  247   HG22  VAL  51          1HG2      VAL  51  -3.881   3.509  -0.522
  248   HG23  VAL  51          2HG2      VAL  51  -4.091   3.846   1.209
  249    H    MET  52           H        MET  52  -1.243   6.364  -2.042
  250    HA   MET  52           HA       MET  52  -0.363   9.065  -1.263
  251    HB2  MET  52           1HB      MET  52   0.318   7.192  -3.552
  252    HB3  MET  52           2HB      MET  52   1.048   8.790  -3.345
  253    HG2  MET  52           1HG      MET  52   1.216   6.629  -1.206
  254    HG3  MET  52           2HG      MET  52   2.414   6.887  -2.458
  255    HE1  MET  52           3HE      MET  52   2.097   9.069   1.468
  256    HE2  MET  52           1HE      MET  52   0.632   8.487   0.648
  257    HE3  MET  52           2HE      MET  52   1.931   7.346   1.069
  258    H    ARG  53           H        ARG  53  -3.056   9.155  -1.571
  259    HA   ARG  53           HA       ARG  53  -3.836   9.849  -4.237
  260    HB2  ARG  53           1HB      ARG  53  -5.996  10.466  -3.318
  261    HB3  ARG  53           2HB      ARG  53  -5.463   8.906  -2.703
  262    HG2  ARG  53           1HG      ARG  53  -4.787   9.989  -0.555
  263    HG3  ARG  53           2HG      ARG  53  -5.372  11.549  -1.180
  264    HD2  ARG  53           1HD      ARG  53  -7.638  10.589  -1.456
  265    HD3  ARG  53           2HD      ARG  53  -7.057   9.035  -0.818
  266    HE   ARG  53           HE       ARG  53  -6.410  11.035   1.073
  267   HH11  ARG  53          1HH1      ARG  53  -9.359   9.542  -0.195
  268   HH12  ARG  53          2HH1      ARG  53 -10.249   9.848   1.265
  269   HH21  ARG  53          1HH2      ARG  53  -7.617  11.393   2.928
  270   HH22  ARG  53          2HH2      ARG  53  -9.273  10.876   3.009
  271    H    ASP  54           H        ASP  54  -4.322  11.712  -5.213
  272    HA   ASP  54           HA       ASP  54  -2.797  14.078  -4.390
  273    HB2  ASP  54           1HB      ASP  54  -4.477  13.366  -6.819
  274    HB3  ASP  54           2HB      ASP  54  -3.751  14.951  -6.603
  275    HA   PRO  55           HA       PRO  55  -6.368  15.900  -2.404
  276    HB2  PRO  55           1HB      PRO  55  -5.483  18.433  -1.898
  277    HB3  PRO  55           2HB      PRO  55  -4.819  16.992  -1.069
  278    HG2  PRO  55           1HG      PRO  55  -3.691  18.417  -3.506
  279    HG3  PRO  55           2HG      PRO  55  -2.831  17.958  -2.000
  280    HD2  PRO  55           1HD      PRO  55  -2.746  16.397  -4.231
  281    HD3  PRO  55           2HD      PRO  55  -2.812  15.673  -2.596
  282    H    LEU  56           H        LEU  56  -5.171  17.048  -5.471
  283    HA   LEU  56           HA       LEU  56  -7.129  19.125  -5.929
  284    HB2  LEU  56           1HB      LEU  56  -5.314  17.517  -7.788
  285    HB3  LEU  56           2HB      LEU  56  -6.240  18.923  -8.272
  286    HG   LEU  56           HG       LEU  56  -3.985  18.907  -6.210
  287   HD11  LEU  56          1HD1      LEU  56  -3.220  18.551  -8.529
  288   HD12  LEU  56          2HD1      LEU  56  -4.093  20.010  -9.051
  289   HD13  LEU  56          3HD1      LEU  56  -2.723  20.141  -7.926
  290   HD21  LEU  56          3HD2      LEU  56  -4.131  21.397  -6.356
  291   HD22  LEU  56          1HD2      LEU  56  -5.612  21.239  -7.325
  292   HD23  LEU  56          2HD2      LEU  56  -5.574  20.683  -5.635
  293    H    THR  57           H        THR  57  -7.069  15.697  -6.586
  294    HA   THR  57           HA       THR  57  -9.834  15.778  -7.747
  295    HB   THR  57           HB       THR  57  -9.159  14.076  -9.395
  296    HG1  THR  57           1HG      THR  57  -6.502  14.693  -8.578
  297   HG21  THR  57          3HG2      THR  57  -7.984  15.491 -10.944
  298   HG22  THR  57          1HG2      THR  57  -9.130  16.485 -10.032
  299   HG23  THR  57          2HG2      THR  57  -7.397  16.548  -9.643
  300    H    LYS  58           H        LYS  58  -7.920  14.454  -5.358
  301    HA   LYS  58           HA       LYS  58  -8.084  12.807  -3.866
  302    HB2  LYS  58           1HB      LYS  58 -10.990  12.871  -4.737
  303    HB3  LYS  58           2HB      LYS  58 -10.405  11.753  -3.522
  304    HG2  LYS  58           1HG      LYS  58 -11.338  13.667  -2.445
  305    HG3  LYS  58           2HG      LYS  58  -9.613  13.568  -2.100
  306    HD2  LYS  58           1HD      LYS  58  -9.151  15.411  -3.637
  307    HD3  LYS  58           2HD      LYS  58 -10.848  15.430  -4.178
  308    HE2  LYS  58           1HE      LYS  58 -11.552  16.023  -1.867
  309    HE3  LYS  58           2HE      LYS  58  -9.865  15.969  -1.336
  310    HZ1  LYS  58           3HZ      LYS  58 -10.536  18.236  -1.810
  311    HZ2  LYS  58           1HZ      LYS  58  -9.391  17.788  -2.893
  312    HZ3  LYS  58           2HZ      LYS  58 -10.966  17.859  -3.341
  313    H    ARG  59           H        ARG  59  -7.698  12.146  -6.931
  314    HA   ARG  59           HA       ARG  59  -8.169   9.279  -7.122
  315    HB2  ARG  59           1HB      ARG  59  -6.351  11.162  -8.670
  316    HB3  ARG  59           2HB      ARG  59  -6.596   9.453  -9.062
  317    HG2  ARG  59           1HG      ARG  59  -9.019   9.837  -9.370
  318    HG3  ARG  59           2HG      ARG  59  -8.813  11.556  -9.016
  319    HD2  ARG  59           1HD      ARG  59  -7.453  10.073 -11.299
  320    HD3  ARG  59           2HD      ARG  59  -8.930  11.044 -11.457
  321    HE   ARG  59           HE       ARG  59  -7.141  12.773 -10.263
  322   HH11  ARG  59          1HH1      ARG  59  -7.083  10.972 -13.309
  323   HH12  ARG  59          2HH1      ARG  59  -6.046  12.136 -14.082
  324   HH21  ARG  59          1HH2      ARG  59  -5.797  14.202 -11.288
  325   HH22  ARG  59          2HH2      ARG  59  -5.331  13.957 -12.947
  326    H    SER  60           H        SER  60  -6.974   7.642  -6.475
  327    HA   SER  60           HA       SER  60  -4.738   7.977  -4.643
  328    HB2  SER  60           1HB      SER  60  -4.955   5.599  -4.373
  329    HB3  SER  60           2HB      SER  60  -6.598   6.271  -4.509
  330    HG   SER  60           HG       SER  60  -6.506   4.518  -5.848
  331    H    ARG  61           H        ARG  61  -4.831   7.878  -8.013
  332    HA   ARG  61           HA       ARG  61  -3.426   7.388  -9.718
  333    HB2  ARG  61           1HB      ARG  61  -1.137   7.243  -7.729
  334    HB3  ARG  61           2HB      ARG  61  -1.027   7.434  -9.478
  335    HG2  ARG  61           1HG      ARG  61  -2.180   9.688  -9.195
  336    HG3  ARG  61           2HG      ARG  61  -2.020   9.443  -7.439
  337    HD2  ARG  61           1HD      ARG  61   0.524   8.888  -8.137
  338    HD3  ARG  61           2HD      ARG  61   0.119   9.896  -9.523
  339    HE   ARG  61           HE       ARG  61  -0.757  11.457  -7.542
  340   HH11  ARG  61          1HH1      ARG  61   2.350   9.717  -7.609
  341   HH12  ARG  61          2HH1      ARG  61   3.113  10.882  -6.585
  342   HH21  ARG  61          1HH2      ARG  61   0.299  12.948  -6.342
  343   HH22  ARG  61          2HH2      ARG  61   1.967  12.709  -5.865
  344    H    GLY  62           H        GLY  62  -4.471   5.214  -7.654
  345    HA2  GLY  62           1HA      GLY  62  -4.675   2.945  -7.722
  346    HA3  GLY  62           2HA      GLY  62  -3.594   2.881  -9.129
  347    H    PHE  63           H        PHE  63  -2.402   4.403  -6.109
  348    HA   PHE  63           HA       PHE  63  -1.257   1.866  -5.263
  349    HB2  PHE  63           1HB      PHE  63   0.957   2.178  -5.681
  350    HB3  PHE  63           2HB      PHE  63   0.264   2.870  -7.125
  351    HD1  PHE  63           2HD      PHE  63  -0.119   5.490  -7.066
  352    HD2  PHE  63           1HD      PHE  63   2.492   3.390  -4.375
  353    HE1  PHE  63           2HE      PHE  63   1.066   7.635  -6.537
  354    HE2  PHE  63           1HE      PHE  63   3.775   5.474  -3.991
  355    HZ   PHE  63           HZ       PHE  63   3.049   7.594  -5.018
  356    H    GLY  64           H        GLY  64  -0.043   1.802  -3.409
  357    HA2  GLY  64           1HA      GLY  64   0.119   4.067  -1.538
  358    HA3  GLY  64           2HA      GLY  64  -1.008   2.800  -1.079
  359    H    PHE  65           H        PHE  65   0.363   2.541   0.783
  360    HA   PHE  65           HA       PHE  65   2.548   0.578   0.405
  361    HB2  PHE  65           1HB      PHE  65   2.840   3.256   1.816
  362    HB3  PHE  65           2HB      PHE  65   3.865   1.895   2.176
  363    HD1  PHE  65           2HD      PHE  65   3.056   4.471  -0.387
  364    HD2  PHE  65           1HD      PHE  65   5.595   1.144   0.696
  365    HE1  PHE  65           2HE      PHE  65   4.730   5.189  -2.054
  366    HE2  PHE  65           1HE      PHE  65   7.252   1.872  -0.979
  367    HZ   PHE  65           HZ       PHE  65   6.822   3.906  -2.371
  368    H    VAL  66           H        VAL  66   2.851  -0.784   2.175
  369    HA   VAL  66           HA       VAL  66   1.355  -0.277   4.697
  370    HB   VAL  66           HB       VAL  66   1.046  -2.836   3.077
  371   HG11  VAL  66          1HG1      VAL  66   1.277  -3.480   5.435
  372   HG12  VAL  66          2HG1      VAL  66   0.083  -2.248   5.906
  373   HG13  VAL  66          3HG1      VAL  66  -0.400  -3.652   4.930
  374   HG21  VAL  66          3HG2      VAL  66  -1.379  -2.344   3.221
  375   HG22  VAL  66          1HG2      VAL  66  -1.030  -0.826   4.071
  376   HG23  VAL  66          2HG2      VAL  66  -0.523  -1.055   2.386
  377    H    THR  67           H        THR  67   2.427  -0.878   6.458
  378    HA   THR  67           HA       THR  67   4.860  -2.628   6.271
  379    HB   THR  67           HB       THR  67   4.285  -0.595   8.454
  380    HG1  THR  67           1HG      THR  67   5.660   0.769   7.352
  381   HG21  THR  67          3HG2      THR  67   6.742  -0.808   8.833
  382   HG22  THR  67          1HG2      THR  67   5.907  -2.348   9.069
  383   HG23  THR  67          2HG2      THR  67   6.817  -2.060   7.576
  384    H    PHE  68           H        PHE  68   4.921  -4.361   7.656
  385    HA   PHE  68           HA       PHE  68   2.412  -4.984   9.145
  386    HB2  PHE  68           1HB      PHE  68   4.574  -6.744   7.954
  387    HB3  PHE  68           2HB      PHE  68   3.264  -7.328   8.969
  388    HD1  PHE  68           1HD      PHE  68   4.028  -5.744   5.677
  389    HD2  PHE  68           2HD      PHE  68   1.013  -7.579   8.152
  390    HE1  PHE  68           1HE      PHE  68   2.534  -5.944   3.707
  391    HE2  PHE  68           2HE      PHE  68  -0.474  -7.788   6.181
  392    HZ   PHE  68           HZ       PHE  68   0.286  -6.964   3.956
  393    H    MET  69           H        MET  69   2.476  -5.790  11.248
  394    HA   MET  69           HA       MET  69   4.637  -4.868  12.958
  395    HB2  MET  69           1HB      MET  69   2.249  -6.665  13.565
  396    HB3  MET  69           2HB      MET  69   3.356  -5.975  14.756
  397    HG2  MET  69           1HG      MET  69   2.752  -3.675  13.712
  398    HG3  MET  69           2HG      MET  69   1.411  -4.518  12.950
  399    HE1  MET  69           3HE      MET  69   1.932  -3.562  17.435
  400    HE2  MET  69           1HE      MET  69   3.096  -4.604  16.596
  401    HE3  MET  69           2HE      MET  69   2.896  -2.909  16.094
  402    H    ASP  70           H        ASP  70   4.377  -7.656  11.093
  403    HA   ASP  70           HA       ASP  70   6.948  -8.576  12.077
  404    HB2  ASP  70           1HB      ASP  70   5.170  -9.857  13.448
  405    HB3  ASP  70           2HB      ASP  70   4.740 -10.648  11.926
  406    H    GLN  71           H        GLN  71   8.023  -9.925  10.575
  407    HA   GLN  71           HA       GLN  71   7.569  -9.382   7.800
  408    HB2  GLN  71           1HB      GLN  71   9.754  -9.859   8.974
  409    HB3  GLN  71           2HB      GLN  71   9.242 -11.530   9.165
  410    HG2  GLN  71           1HG      GLN  71  10.795 -11.326   7.290
  411    HG3  GLN  71           2HG      GLN  71   9.220 -11.821   6.700
  412   HE21  GLN  71          2HE2      GLN  71  10.103 -11.046   4.566
  413   HE22  GLN  71          1HE2      GLN  71  10.016  -9.328   4.220
  414    H    ALA  72           H        ALA  72   6.440 -12.000   9.891
  415    HA   ALA  72           HA       ALA  72   5.866 -13.980   7.976
  416    HB1  ALA  72           1HB      ALA  72   5.799 -14.298  10.428
  417    HB2  ALA  72           2HB      ALA  72   4.354 -13.261  10.529
  418    HB3  ALA  72           3HB      ALA  72   4.280 -14.818   9.673
  419    H    GLY  73           H        GLY  73   4.096 -10.959   8.501
  420    HA2  GLY  73           1HA      GLY  73   1.800 -11.834   6.875
  421    HA3  GLY  73           2HA      GLY  73   2.124 -10.184   7.442
  422    H    VAL  74           H        VAL  74   4.843 -10.132   6.328
  423    HA   VAL  74           HA       VAL  74   4.265  -9.237   3.620
  424    HB   VAL  74           HB       VAL  74   6.907  -9.698   5.063
  425   HG11  VAL  74          1HG1      VAL  74   7.408  -9.994   2.719
  426   HG12  VAL  74          2HG1      VAL  74   6.470  -8.551   2.281
  427   HG13  VAL  74          3HG1      VAL  74   7.969  -8.399   3.217
  428   HG21  VAL  74          3HG2      VAL  74   7.023  -7.236   5.069
  429   HG22  VAL  74          1HG2      VAL  74   5.426  -7.157   4.304
  430   HG23  VAL  74          2HG2      VAL  74   5.606  -7.822   5.945
  431    H    ASP  75           H        ASP  75   5.955 -12.086   5.037
  432    HA   ASP  75           HA       ASP  75   6.667 -13.455   2.725
  433    HB2  ASP  75           1HB      ASP  75   7.203 -14.050   5.114
  434    HB3  ASP  75           2HB      ASP  75   5.568 -14.654   5.306
  435    H    LYS  76           H        LYS  76   3.485 -13.636   4.396
  436    HA   LYS  76           HA       LYS  76   2.326 -15.559   2.611
  437    HB2  LYS  76           1HB      LYS  76   1.053 -13.417   4.353
  438    HB3  LYS  76           2HB      LYS  76   0.190 -14.763   3.572
  439    HG2  LYS  76           1HG      LYS  76   1.203 -16.405   4.935
  440    HG3  LYS  76           2HG      LYS  76   2.431 -15.282   5.540
  441    HD2  LYS  76           1HD      LYS  76   0.588 -13.883   6.543
  442    HD3  LYS  76           2HD      LYS  76  -0.589 -15.114   6.035
  443    HE2  LYS  76           1HE      LYS  76   0.572 -16.785   7.436
  444    HE3  LYS  76           2HE      LYS  76   1.783 -15.568   7.886
  445    HZ1  LYS  76           3HZ      LYS  76   0.127 -15.711   9.613
  446    HZ2  LYS  76           1HZ      LYS  76  -0.059 -14.258   8.869
  447    HZ3  LYS  76           2HZ      LYS  76  -1.104 -15.479   8.563
  448    H    VAL  77           H        VAL  77   2.391 -11.998   2.479
  449    HA   VAL  77           HA       VAL  77   0.459 -11.805   0.338
  450    HB   VAL  77           HB       VAL  77   2.517  -9.804   1.318
  451   HG11  VAL  77          1HG1      VAL  77   1.927  -9.173  -0.995
  452   HG12  VAL  77          2HG1      VAL  77   0.200  -9.325  -0.609
  453   HG13  VAL  77          3HG1      VAL  77   1.185  -8.060   0.153
  454   HG21  VAL  77          3HG2      VAL  77   0.582  -8.741   2.412
  455   HG22  VAL  77          1HG2      VAL  77  -0.529  -9.910   1.671
  456   HG23  VAL  77          2HG2      VAL  77   0.616 -10.439   2.902
  457    H    LEU  78           H        LEU  78   4.009 -12.195   0.394
  458    HA   LEU  78           HA       LEU  78   4.336 -11.927  -2.497
  459    HB2  LEU  78           1HB      LEU  78   6.060 -13.294  -0.398
  460    HB3  LEU  78           2HB      LEU  78   6.581 -12.823  -2.011
  461    HG   LEU  78           HG       LEU  78   5.645 -10.822   0.097
  462   HD11  LEU  78          1HD1      LEU  78   7.521 -12.098   0.902
  463   HD12  LEU  78          2HD1      LEU  78   8.419 -11.838  -0.610
  464   HD13  LEU  78          3HD1      LEU  78   8.076 -10.459   0.471
  465   HD21  LEU  78          3HD2      LEU  78   6.840  -9.186  -1.305
  466   HD22  LEU  78          1HD2      LEU  78   7.150 -10.446  -2.522
  467   HD23  LEU  78          2HD2      LEU  78   5.480  -9.928  -2.157
  468    H    ALA  79           H        ALA  79   3.974 -14.651  -0.226
  469    HA   ALA  79           HA       ALA  79   4.410 -16.694  -2.124
  470    HB1  ALA  79           1HB      ALA  79   4.636 -16.975   0.313
  471    HB2  ALA  79           2HB      ALA  79   2.879 -16.777   0.515
  472    HB3  ALA  79           3HB      ALA  79   3.526 -18.183  -0.355
  473    H    GLN  80           H        GLN  80   1.521 -14.816  -1.637
  474    HA   GLN  80           HA       GLN  80  -0.215 -16.749  -3.065
  475    HB2  GLN  80           1HB      GLN  80  -1.041 -15.667  -1.025
  476    HB3  GLN  80           2HB      GLN  80  -0.811 -14.070  -1.744
  477    HG2  GLN  80           1HG      GLN  80  -2.492 -14.546  -3.455
  478    HG3  GLN  80           2HG      GLN  80  -2.644 -16.218  -2.913
  479   HE21  GLN  80          2HE2      GLN  80  -4.421 -13.532  -2.933
  480   HE22  GLN  80          1HE2      GLN  80  -5.231 -13.711  -1.374
  481    H    SER  81           H        SER  81  -0.816 -16.520  -5.183
  482    HA   SER  81           HA       SER  81   0.823 -14.809  -6.800
  483    HB2  SER  81           1HB      SER  81  -1.425 -16.659  -7.652
  484    HB3  SER  81           2HB      SER  81  -0.095 -16.058  -8.655
  485    HG   SER  81           HG       SER  81   0.302 -18.196  -7.887
  486    H    ARG  82           H        ARG  82  -2.257 -14.076  -5.525
  487    HA   ARG  82           HA       ARG  82  -2.659 -11.788  -7.286
  488    HB2  ARG  82           1HB      ARG  82  -3.528 -13.727  -8.631
  489    HB3  ARG  82           2HB      ARG  82  -4.690 -14.066  -7.349
  490    HG2  ARG  82           1HG      ARG  82  -5.766 -11.880  -7.706
  491    HG3  ARG  82           2HG      ARG  82  -4.536 -11.430  -8.898
  492    HD2  ARG  82           1HD      ARG  82  -6.433 -13.800  -9.155
  493    HD3  ARG  82           2HD      ARG  82  -6.733 -12.198  -9.854
  494    HE   ARG  82           HE       ARG  82  -4.210 -12.936 -10.783
  495   HH11  ARG  82          1HH1      ARG  82  -7.483 -14.228 -11.153
  496   HH12  ARG  82          2HH1      ARG  82  -7.127 -14.931 -12.703
  497   HH21  ARG  82          1HH2      ARG  82  -3.816 -13.872 -12.780
  498   HH22  ARG  82          2HH2      ARG  82  -5.082 -14.725 -13.611
  499    H    HIS  83           H        HIS  83  -4.122 -10.295  -6.470
  500    HA   HIS  83           HA       HIS  83  -5.578 -10.827  -3.935
  501    HB2  HIS  83           1HB      HIS  83  -3.428  -8.729  -4.412
  502    HB3  HIS  83           2HB      HIS  83  -4.539  -8.695  -3.040
  503    HD1  HIS  83           1HD      HIS  83  -4.177 -10.720  -1.204
  504    HD2  HIS  83           2HD      HIS  83  -1.295 -10.266  -4.230
  505    HE1  HIS  83           1HE      HIS  83  -2.103 -12.009  -0.429
  506    H    GLU  84           H        GLU  84  -7.187  -9.123  -3.452
  507    HA   GLU  84           HA       GLU  84  -7.911  -7.270  -5.623
  508    HB2  GLU  84           1HB      GLU  84  -8.767  -9.577  -6.265
  509    HB3  GLU  84           2HB      GLU  84  -9.802  -9.512  -4.835
  510    HG2  GLU  84           1HG      GLU  84 -10.796  -7.362  -5.772
  511    HG3  GLU  84           2HG      GLU  84  -9.833  -7.623  -7.231
  512    H    LEU  85           H        LEU  85  -8.897  -5.533  -4.882
  513    HA   LEU  85           HA       LEU  85 -10.422  -5.476  -2.355
  514    HB2  LEU  85           1HB      LEU  85  -8.119  -5.163  -1.610
  515    HB3  LEU  85           2HB      LEU  85  -7.830  -3.960  -2.868
  516    HG   LEU  85           HG       LEU  85  -9.392  -2.392  -1.771
  517   HD11  LEU  85          1HD1      LEU  85 -10.973  -3.876  -0.653
  518   HD12  LEU  85          2HD1      LEU  85  -9.679  -4.592   0.321
  519   HD13  LEU  85          3HD1      LEU  85 -10.157  -2.904   0.579
  520   HD21  LEU  85          3HD2      LEU  85  -7.980  -1.904   0.176
  521   HD22  LEU  85          1HD2      LEU  85  -7.273  -3.533   0.101
  522   HD23  LEU  85          2HD2      LEU  85  -6.991  -2.376  -1.217
  523    H    ASP  86           H        ASP  86 -12.064  -4.018  -2.499
  524    HA   ASP  86           HA       ASP  86 -13.655  -2.774  -3.492
  525    HB2  ASP  86           1HB      ASP  86 -11.931  -0.993  -3.060
  526    HB3  ASP  86           2HB      ASP  86 -11.414  -1.142  -4.739
  527    H    SER  87           H        SER  87 -12.829  -5.152  -4.820
  528    HA   SER  87           HA       SER  87 -13.133  -6.395  -6.686
  529    HB2  SER  87           1HB      SER  87 -14.734  -4.088  -7.832
  530    HB3  SER  87           2HB      SER  87 -14.735  -5.772  -8.359
  531    HG   SER  87           HG       SER  87 -15.563  -4.828  -5.795
  532    H    LYS  88           H        LYS  88 -10.840  -4.327  -6.531
  533    HA   LYS  88           HA       LYS  88 -10.047  -4.311  -9.419
  534    HB2  LYS  88           1HB      LYS  88  -9.351  -2.469  -7.094
  535    HB3  LYS  88           2HB      LYS  88  -8.468  -2.466  -8.607
  536    HG2  LYS  88           1HG      LYS  88 -11.462  -2.205  -8.742
  537    HG3  LYS  88           2HG      LYS  88 -10.533  -0.833  -8.132
  538    HD2  LYS  88           1HD      LYS  88  -9.225  -0.741 -10.212
  539    HD3  LYS  88           2HD      LYS  88 -10.055  -2.187 -10.807
  540    HE2  LYS  88           1HE      LYS  88 -11.091  -0.231 -11.823
  541    HE3  LYS  88           2HE      LYS  88 -12.234  -0.980 -10.708
  542    HZ1  LYS  88           3HZ      LYS  88 -12.251   1.395 -10.410
  543    HZ2  LYS  88           1HZ      LYS  88 -11.589   0.762  -9.058
  544    HZ3  LYS  88           2HZ      LYS  88 -10.640   1.477 -10.183
  545    H    THR  89           H        THR  89  -8.214  -5.273  -9.959
  546    HA   THR  89           HA       THR  89  -7.111  -7.257  -8.101
  547    HB   THR  89           HB       THR  89  -6.233  -6.678 -10.952
  548    HG1  THR  89           1HG      THR  89  -7.748  -8.297 -11.452
  549   HG21  THR  89          3HG2      THR  89  -5.548  -9.069 -10.887
  550   HG22  THR  89          1HG2      THR  89  -4.681  -8.134  -9.661
  551   HG23  THR  89          2HG2      THR  89  -6.042  -9.169  -9.182
  552    H    ILE  90           H        ILE  90  -5.494  -6.861  -6.721
  553    HA   ILE  90           HA       ILE  90  -3.712  -4.525  -7.266
  554    HB   ILE  90           HB       ILE  90  -3.341  -4.276  -4.935
  555   HG12  ILE  90          1HG1      ILE  90  -5.145  -6.638  -4.378
  556   HG13  ILE  90          2HG1      ILE  90  -3.387  -6.555  -4.154
  557   HG21  ILE  90          1HG2      ILE  90  -5.381  -3.254  -6.013
  558   HG22  ILE  90          2HG2      ILE  90  -6.342  -4.630  -5.438
  559   HG23  ILE  90          3HG2      ILE  90  -5.615  -3.526  -4.286
  560   HD11  ILE  90          3HD1      ILE  90  -4.294  -6.183  -2.009
  561   HD12  ILE  90          1HD1      ILE  90  -3.780  -4.577  -2.592
  562   HD13  ILE  90          2HD1      ILE  90  -5.499  -5.037  -2.616
  563    H    ASP  91           H        ASP  91  -1.540  -4.597  -6.900
  564    HA   ASP  91           HA       ASP  91  -0.261  -7.303  -7.058
  565    HB2  ASP  91           1HB      ASP  91  -0.628  -6.363  -9.289
  566    HB3  ASP  91           2HB      ASP  91   0.223  -4.892  -8.818
  567    HA   PRO  92           HA       PRO  92   1.881  -4.669  -3.925
  568    HB2  PRO  92           1HB      PRO  92   1.638  -6.312  -1.732
  569    HB3  PRO  92           2HB      PRO  92   0.396  -5.143  -2.258
  570    HG2  PRO  92           1HG      PRO  92   0.453  -8.117  -2.737
  571    HG3  PRO  92           2HG      PRO  92  -0.949  -7.050  -2.331
  572    HD2  PRO  92           1HD      PRO  92  -0.368  -7.912  -4.871
  573    HD3  PRO  92           2HD      PRO  92  -1.221  -6.393  -4.467
  574    H    LYS  93           H        LYS  93   3.941  -4.839  -3.105
  575    HA   LYS  93           HA       LYS  93   5.609  -7.224  -3.471
  576    HB2  LYS  93           1HB      LYS  93   7.016  -6.145  -5.231
  577    HB3  LYS  93           2HB      LYS  93   5.381  -6.517  -5.771
  578    HG2  LYS  93           1HG      LYS  93   4.709  -4.165  -5.473
  579    HG3  LYS  93           2HG      LYS  93   6.309  -3.760  -4.842
  580    HD2  LYS  93           1HD      LYS  93   6.184  -3.025  -7.132
  581    HD3  LYS  93           2HD      LYS  93   7.312  -4.375  -7.028
  582    HE2  LYS  93           1HE      LYS  93   5.990  -4.685  -9.009
  583    HE3  LYS  93           2HE      LYS  93   5.505  -5.917  -7.845
  584    HZ1  LYS  93           3HZ      LYS  93   3.576  -4.947  -8.860
  585    HZ2  LYS  93           1HZ      LYS  93   3.560  -4.495  -7.305
  586    HZ3  LYS  93           2HZ      LYS  93   4.004  -3.422  -8.475
  587    H    VAL  94           H        VAL  94   7.948  -6.733  -2.997
  588    HA   VAL  94           HA       VAL  94   8.110  -5.486  -0.434
  589    HB   VAL  94           HB       VAL  94  10.405  -6.294  -2.267
  590   HG11  VAL  94          1HG1      VAL  94  11.250  -4.814  -0.501
  591   HG12  VAL  94          2HG1      VAL  94  10.362  -5.734   0.737
  592   HG13  VAL  94          3HG1      VAL  94  11.719  -6.474  -0.141
  593   HG21  VAL  94          3HG2      VAL  94  10.454  -8.358  -0.846
  594   HG22  VAL  94          1HG2      VAL  94   8.958  -7.820  -0.051
  595   HG23  VAL  94          2HG2      VAL  94   8.971  -8.219  -1.786
  596    H    ALA  95           H        ALA  95   8.795  -3.528   0.286
  597    HA   ALA  95           HA       ALA  95   8.694  -1.345  -1.638
  598    HB1  ALA  95           1HB      ALA  95   7.468  -1.230   0.477
  599    HB2  ALA  95           2HB      ALA  95   8.987  -1.376   1.392
  600    HB3  ALA  95           3HB      ALA  95   8.673   0.062   0.402
  601    H    PHE  96           H        PHE  96  10.203   0.088  -2.210
  602    HA   PHE  96           HA       PHE  96  13.021  -0.223  -1.953
  603    HB2  PHE  96           1HB      PHE  96  11.303   2.249  -2.457
  604    HB3  PHE  96           2HB      PHE  96  13.021   2.191  -2.728
  605    HD1  PHE  96           1HD      PHE  96  12.493  -0.907  -3.991
  606    HD2  PHE  96           2HD      PHE  96  11.266   3.160  -4.776
  607    HE1  PHE  96           1HE      PHE  96  12.104  -1.475  -6.359
  608    HE2  PHE  96           2HE      PHE  96  10.883   2.579  -7.152
  609    HZ   PHE  96           HZ       PHE  96  11.294   0.256  -7.951
  610    HA   PRO  97           HA       PRO  97  14.066   1.246   2.053
  611    HB2  PRO  97           1HB      PRO  97  16.236   2.948   1.655
  612    HB3  PRO  97           2HB      PRO  97  16.290   1.160   1.614
  613    HG2  PRO  97           1HG      PRO  97  15.995   3.074  -0.721
  614    HG3  PRO  97           2HG      PRO  97  17.118   1.682  -0.562
  615    HD2  PRO  97           1HD      PRO  97  14.834   1.402  -1.919
  616    HD3  PRO  97           2HD      PRO  97  15.333   0.114  -0.790
  617    H    ARG  98           H        ARG  98  14.365   3.105   3.482
  618    HA   ARG  98           HA       ARG  98  12.685   5.432   2.747
  619    HB2  ARG  98           1HB      ARG  98  11.187   5.017   4.489
  620    HB3  ARG  98           2HB      ARG  98  11.362   3.496   3.648
  621    HG2  ARG  98           1HG      ARG  98  12.623   4.220   6.331
  622    HG3  ARG  98           2HG      ARG  98  11.167   3.280   6.073
  623    HD2  ARG  98           1HD      ARG  98  12.683   1.618   6.485
  624    HD3  ARG  98           2HD      ARG  98  12.652   1.641   4.716
  625    HE   ARG  98           HE       ARG  98  14.709   3.381   5.830
  626   HH11  ARG  98          1HH1      ARG  98  14.114  -0.040   5.115
  627   HH12  ARG  98          2HH1      ARG  98  15.810  -0.402   5.025
  628   HH21  ARG  98          1HH2      ARG  98  16.865   2.825   5.767
  629   HH22  ARG  98          2HH2      ARG  98  17.346   1.201   5.386
  630    H    ARG  99           H        ARG  99  12.651   7.160   4.292
  631    HA   ARG  99           HA       ARG  99  14.819   7.315   6.319
  632    HB2  ARG  99           1HB      ARG  99  14.368   9.343   4.082
  633    HB3  ARG  99           2HB      ARG  99  15.373   9.634   5.497
  634    HG2  ARG  99           1HG      ARG  99  15.897   7.505   3.378
  635    HG3  ARG  99           2HG      ARG  99  16.691   9.072   3.502
  636    HD2  ARG  99           1HD      ARG  99  17.595   8.461   5.729
  637    HD3  ARG  99           2HD      ARG  99  16.861   6.863   5.607
  638    HE   ARG  99           HE       ARG  99  19.240   7.864   4.225
  639   HH11  ARG  99          1HH1      ARG  99  16.810   5.280   4.166
  640   HH12  ARG  99          2HH1      ARG  99  17.849   4.226   3.240
  641   HH21  ARG  99          1HH2      ARG  99  20.502   6.453   3.048
  642   HH22  ARG  99          2HH2      ARG  99  19.904   4.879   2.627
  643    H    ALA 100           H        ALA 100  14.295   8.509   8.076
  644    HA   ALA 100           HA       ALA 100  11.961  10.249   8.275
  645    HB1  ALA 100           1HB      ALA 100  10.891   8.003   8.248
  646    HB2  ALA 100           2HB      ALA 100  11.932   7.487   9.592
  647    HB3  ALA 100           3HB      ALA 100  10.721   8.765   9.832
  648    H    GLN 101           H        GLN 101  11.568  10.768  10.715
  649    HA   GLN 101           HA       GLN 101  13.973  10.673  12.388
  650    HB2  GLN 101           1HB      GLN 101  13.951  13.121  12.638
  651    HB3  GLN 101           2HB      GLN 101  14.377  12.610  11.007
  652    HG2  GLN 101           1HG      GLN 101  12.039  13.169  10.262
  653    HG3  GLN 101           2HG      GLN 101  11.674  13.725  11.899
  654   HE21  GLN 101          2HE2      GLN 101  13.934  14.347   9.123
  655   HE22  GLN 101          1HE2      GLN 101  14.092  16.056   9.497
  656    HA   PRO 102           HA       PRO 102  10.699  10.507  15.438
  657    HB2  PRO 102           1HB      PRO 102  12.067  10.903  17.761
  658    HB3  PRO 102           2HB      PRO 102  12.241   9.422  16.772
  659    HG2  PRO 102           1HG      PRO 102  14.060  11.848  16.827
  660    HG3  PRO 102           2HG      PRO 102  14.512  10.118  16.876
  661    HD2  PRO 102           1HD      PRO 102  14.535  11.605  14.565
  662    HD3  PRO 102           2HD      PRO 102  14.154   9.856  14.580
  663    H    LYS 103           H        LYS 103   9.236  12.085  15.403
  664    HA   LYS 103           HA       LYS 103   9.548  14.664  16.713
  665    HB2  LYS 103           1HB      LYS 103  10.785  15.028  14.595
  666    HB3  LYS 103           2HB      LYS 103   9.364  14.549  13.670
  667    HG2  LYS 103           1HG      LYS 103   8.120  16.475  14.411
  668    HG3  LYS 103           2HG      LYS 103   9.337  16.894  15.628
  669    HD2  LYS 103           1HD      LYS 103   9.958  16.808  12.646
  670    HD3  LYS 103           2HD      LYS 103   9.341  18.262  13.448
  671    HE2  LYS 103           1HE      LYS 103  11.243  18.416  14.904
  672    HE3  LYS 103           2HE      LYS 103  11.826  16.814  14.441
  673    HZ1  LYS 103           3HZ      LYS 103  13.029  18.626  13.319
  674    HZ2  LYS 103           1HZ      LYS 103  12.324  17.601  12.265
  675    HZ3  LYS 103           2HZ      LYS 103  11.664  19.086  12.543
  676    H5'    G 104           H5'        G 104  -5.750  -1.060 -13.646
  677   H5''    G 104          H5"         G 104  -4.054  -0.869 -13.189
  678    H4'    G 104           H4'        G 104  -4.834   1.128 -14.326
  679    H3'    G 104           H3'        G 104  -3.663   1.183 -11.702
  680    H2'    G 104           H2'        G 104  -5.488   2.160 -10.669
  681   HO2'    G 104          HO2         G 104  -3.993   4.130 -11.972
  682    H1'    G 104           H1'        G 104  -6.225   3.492 -13.300
  683    H8     G 104           8H         G 104  -7.569   2.167  -9.922
  684    H1     G 104           1H         G 104 -11.786   5.534 -13.424
  685    H21    G 104           1H2        G 104 -10.839   6.035 -15.409
  686    H22    G 104           2H2        G 104  -9.209   5.481 -15.755
  687   HO5'    G 104          H5T         G 104  -6.341  -0.651 -11.487
  688    H5'    U 105           H5'        U 105  -2.100   2.330 -10.626
  689   H5''    U 105          H5"         U 105  -1.057   3.500 -11.433
  690    H4'    U 105           H4'        U 105  -0.111   2.745  -9.334
  691    H3'    U 105           H3'        U 105   1.279   2.988 -11.690
  692    H2'    U 105           H2'        U 105   1.227   0.713 -12.257
  693   HO2'    U 105          HO2         U 105   3.613   1.445 -11.181
  694    H1'    U 105           H1'        U 105   1.780  -0.046  -9.388
  695    H3     U 105           3H         U 105   1.783  -4.429 -10.653
  696    H5     U 105           5H         U 105  -1.465  -2.859 -12.768
  697    H6     U 105           6H         U 105  -0.982  -0.668 -11.819
  698    H5'    A 106           H5'        A 106   5.019   6.043  -9.381
  699   H5''    A 106          H5"         A 106   5.982   4.567  -9.226
  700    H4'    A 106           H4'        A 106   4.703   6.141  -6.938
  701    H3'    A 106           H3'        A 106   6.991   6.923  -8.194
  702    H2'    A 106           H2'        A 106   7.941   4.687  -8.223
  703   HO2'    A 106          HO2         A 106   8.987   6.252  -6.101
  704    H1'    A 106           H1'        A 106   7.299   4.529  -5.269
  705    H8     A 106           8H         A 106   6.942   2.263  -8.461
  706    H61    A 106           1H6        A 106   8.935  -2.098  -4.380
  707    H62    A 106           2H6        A 106   8.462  -1.894  -6.071
  708    H2     A 106           2H         A 106   8.878   1.674  -2.357
  709    H5'    G 107           H5'        G 107   7.749   9.482  -3.674
  710   H5''    G 107          H5"         G 107   7.564   7.722  -3.614
  711    H4'    G 107           H4'        G 107   5.653   9.498  -2.068
  712    H3'    G 107           H3'        G 107   8.438   8.624  -1.245
  713    H2'    G 107           H2'        G 107   7.642   8.594   0.949
  714   HO2'    G 107          HO2         G 107   6.458  10.739   0.580
  715    H1'    G 107           H1'        G 107   4.981   7.869   0.171
  716    H8     G 107           8H         G 107   4.713   5.990   1.787
  717    H1     G 107           1H         G 107  10.788   3.939   1.116
  718    H21    G 107           1H2        G 107  11.837   5.221  -0.309
  719    H22    G 107           2H2        G 107  10.984   6.489  -1.192
  720    H5'    U 108           H5'        U 108  10.801  11.583   1.901
  721   H5''    U 108          H5"         U 108  11.423  10.174   1.032
  722    H4'    U 108           H4'        U 108  11.528   9.675   3.346
  723    H3'    U 108           H3'        U 108   9.855   8.050   1.652
  724   HO3'    U 108          H3T         U 108  10.448   6.685   3.674
  725    H2'    U 108           H2'        U 108   7.921   8.368   2.924
  726   HO2'    U 108          HO2         U 108   7.789   6.822   4.640
  727    H1'    U 108           H1'        U 108   9.635   8.875   5.363
  728    H3     U 108           3H         U 108   6.070   9.898   7.977
  729    H5     U 108           5H         U 108   4.788  11.128   4.186
  730    H6     U 108           6H         U 108   6.940  10.429   3.268
  Start of MODEL    5
    1    H    CYS  20           1H       CYS  20  11.321  -5.625   6.250
    2    HA   CYS  20           HA       CYS  20   9.145  -6.534   5.781
    3    HB2  CYS  20           1HB      CYS  20   7.208  -5.865   7.183
    4    HB3  CYS  20           2HB      CYS  20   8.374  -6.780   8.121
    5    HG   CYS  20           HG       CYS  20   7.263  -4.819   9.540
    6    H    LYS  21           H        LYS  21   7.114  -4.890   5.430
    7    HA   LYS  21           HA       LYS  21   6.232  -2.949   4.712
    8    HB2  LYS  21           1HB      LYS  21   8.115  -1.618   5.674
    9    HB3  LYS  21           2HB      LYS  21   8.930  -1.744   4.104
   10    HG2  LYS  21           1HG      LYS  21   7.237  -0.492   2.990
   11    HG3  LYS  21           2HG      LYS  21   6.099  -0.682   4.322
   12    HD2  LYS  21           1HD      LYS  21   7.582   0.718   5.771
   13    HD3  LYS  21           2HD      LYS  21   8.665   0.959   4.386
   14    HE2  LYS  21           1HE      LYS  21   6.921   2.027   3.102
   15    HE3  LYS  21           2HE      LYS  21   5.685   1.607   4.303
   16    HZ1  LYS  21           3HZ      LYS  21   6.627   3.937   4.311
   17    HZ2  LYS  21           1HZ      LYS  21   6.473   3.195   5.767
   18    HZ3  LYS  21           2HZ      LYS  21   7.959   3.327   5.034
   19    H    MET  22           H        MET  22   5.335  -2.465   2.833
   20    HA   MET  22           HA       MET  22   6.400  -3.614   0.302
   21    HB2  MET  22           1HB      MET  22   3.675  -4.195   1.547
   22    HB3  MET  22           2HB      MET  22   4.209  -4.700  -0.057
   23    HG2  MET  22           1HG      MET  22   6.111  -5.960   1.067
   24    HG3  MET  22           2HG      MET  22   5.371  -5.557   2.611
   25    HE1  MET  22           3HE      MET  22   3.999  -8.614  -0.498
   26    HE2  MET  22           1HE      MET  22   3.917  -6.893  -0.930
   27    HE3  MET  22           2HE      MET  22   5.472  -7.632  -0.478
   28    H    PHE  23           H        PHE  23   5.781  -2.655  -1.484
   29    HA   PHE  23           HA       PHE  23   4.156  -0.160  -1.500
   30    HB2  PHE  23           1HB      PHE  23   6.207  -0.010  -2.733
   31    HB3  PHE  23           2HB      PHE  23   5.993  -1.596  -3.454
   32    HD1  PHE  23           2HD      PHE  23   4.234  -1.971  -5.219
   33    HD2  PHE  23           1HD      PHE  23   5.252   1.968  -3.804
   34    HE1  PHE  23           2HE      PHE  23   3.197  -0.985  -7.237
   35    HE2  PHE  23           1HE      PHE  23   4.226   2.935  -5.847
   36    HZ   PHE  23           HZ       PHE  23   3.202   1.483  -7.559
   37    H    ILE  24           H        ILE  24   2.134  -0.151  -2.461
   38    HA   ILE  24           HA       ILE  24   0.995  -2.804  -3.313
   39    HB   ILE  24           HB       ILE  24  -0.580  -0.601  -1.958
   40   HG12  ILE  24          1HG1      ILE  24   1.036  -1.183  -0.271
   41   HG13  ILE  24          2HG1      ILE  24  -0.563  -1.768   0.129
   42   HG21  ILE  24          1HG2      ILE  24  -1.817  -2.248  -3.301
   43   HG22  ILE  24          2HG2      ILE  24  -1.100  -3.578  -2.382
   44   HG23  ILE  24          3HG2      ILE  24  -2.183  -2.429  -1.577
   45   HD11  ILE  24          3HD1      ILE  24   1.259  -3.356   0.729
   46   HD12  ILE  24          1HD1      ILE  24   0.069  -4.064  -0.365
   47   HD13  ILE  24          2HD1      ILE  24   1.653  -3.547  -0.979
   48    H    GLY  25           H        GLY  25   0.892  -2.667  -5.506
   49    HA2  GLY  25           1HA      GLY  25   0.043  -0.124  -6.821
   50    HA3  GLY  25           2HA      GLY  25   0.803  -1.534  -7.586
   51    H    GLY  26           H        GLY  26  -1.408  -0.275  -8.684
   52    HA2  GLY  26           1HA      GLY  26  -3.205  -1.034  -9.928
   53    HA3  GLY  26           2HA      GLY  26  -3.062  -2.622  -9.145
   54    H    LEU  27           H        LEU  27  -3.459   0.084  -7.007
   55    HA   LEU  27           HA       LEU  27  -5.894  -0.938  -5.857
   56    HB2  LEU  27           1HB      LEU  27  -4.619   1.824  -5.614
   57    HB3  LEU  27           2HB      LEU  27  -5.882   1.191  -4.586
   58    HG   LEU  27           HG       LEU  27  -3.019   0.158  -4.709
   59   HD11  LEU  27          1HD1      LEU  27  -3.402   2.361  -3.576
   60   HD12  LEU  27          2HD1      LEU  27  -4.594   1.594  -2.520
   61   HD13  LEU  27          3HD1      LEU  27  -2.888   1.094  -2.446
   62   HD21  LEU  27          3HD2      LEU  27  -3.841  -1.139  -2.628
   63   HD22  LEU  27          1HD2      LEU  27  -5.466  -0.929  -3.308
   64   HD23  LEU  27          2HD2      LEU  27  -4.195  -1.760  -4.239
   65    H    SER  28           H        SER  28  -7.878   0.371  -5.560
   66    HA   SER  28           HA       SER  28  -8.945   1.428  -8.124
   67    HB2  SER  28           1HB      SER  28 -10.318  -0.059  -6.658
   68    HB3  SER  28           2HB      SER  28 -10.219   1.153  -5.375
   69    HG   SER  28           HG       SER  28 -12.129   1.320  -6.536
   70    H    TRP  29           H        TRP  29  -9.507   3.647  -8.401
   71    HA   TRP  29           HA       TRP  29  -7.971   5.620  -7.072
   72    HB2  TRP  29           1HB      TRP  29 -10.367   5.682  -8.873
   73    HB3  TRP  29           2HB      TRP  29  -9.795   7.159  -8.105
   74    HD1  TRP  29           HD       TRP  29  -6.754   5.301  -8.854
   75    HE1  TRP  29           1HE      TRP  29  -5.690   6.033 -11.040
   76    HE3  TRP  29           3HE      TRP  29 -10.711   7.881 -10.841
   77    HZ2  TRP  29           2HZ      TRP  29  -6.390   7.691 -13.315
   78    HZ3  TRP  29           3HZ      TRP  29 -10.489   8.995 -13.046
   79    HH2  TRP  29           HH       TRP  29  -8.338   8.918 -14.286
   80    H    GLN  30           H        GLN  30 -10.854   4.149  -5.923
   81    HA   GLN  30           HA       GLN  30 -11.143   6.249  -3.812
   82    HB2  GLN  30           1HB      GLN  30 -13.393   5.444  -3.469
   83    HB3  GLN  30           2HB      GLN  30 -13.146   5.889  -5.158
   84    HG2  GLN  30           1HG      GLN  30 -12.909   3.511  -5.778
   85    HG3  GLN  30           2HG      GLN  30 -13.058   3.034  -4.084
   86   HE21  GLN  30          2HE2      GLN  30 -14.771   1.663  -5.216
   87   HE22  GLN  30          1HE2      GLN  30 -16.395   2.368  -5.298
   88    H    THR  31           H        THR  31  -9.348   3.512  -4.077
   89    HA   THR  31           HA       THR  31  -9.934   2.188  -1.562
   90    HB   THR  31           HB       THR  31  -7.326   2.393  -3.134
   91    HG1  THR  31           1HG      THR  31  -9.325   0.369  -3.008
   92   HG21  THR  31          3HG2      THR  31  -6.801   0.246  -1.906
   93   HG22  THR  31          1HG2      THR  31  -6.806   1.678  -0.874
   94   HG23  THR  31          2HG2      THR  31  -8.189   0.560  -0.848
   95    H    THR  32           H        THR  32  -9.398   2.760   0.457
   96    HA   THR  32           HA       THR  32  -7.730   5.192   0.940
   97    HB   THR  32           HB       THR  32  -8.895   5.401   3.072
   98    HG1  THR  32           1HG      THR  32 -10.733   3.973   3.384
   99   HG21  THR  32          3HG2      THR  32 -11.096   6.045   2.309
  100   HG22  THR  32          1HG2      THR  32  -9.927   6.452   1.041
  101   HG23  THR  32          2HG2      THR  32 -10.967   5.021   0.865
  102    H    GLN  33           H        GLN  33  -6.398   5.142   2.880
  103    HA   GLN  33           HA       GLN  33  -4.873   2.695   3.118
  104    HB2  GLN  33           1HB      GLN  33  -3.595   3.949   4.839
  105    HB3  GLN  33           2HB      GLN  33  -3.706   4.656   3.237
  106    HG2  GLN  33           1HG      GLN  33  -5.513   6.220   4.139
  107    HG3  GLN  33           2HG      GLN  33  -5.077   5.630   5.749
  108   HE21  GLN  33          2HE2      GLN  33  -3.742   7.227   6.712
  109   HE22  GLN  33          1HE2      GLN  33  -2.491   8.093   5.836
  110    H    GLU  34           H        GLU  34  -7.619   3.877   4.888
  111    HA   GLU  34           HA       GLU  34  -7.377   1.933   7.066
  112    HB2  GLU  34           1HB      GLU  34  -9.783   3.447   5.966
  113    HB3  GLU  34           2HB      GLU  34  -9.803   2.403   7.394
  114    HG2  GLU  34           1HG      GLU  34  -8.079   3.845   8.470
  115    HG3  GLU  34           2HG      GLU  34  -8.116   4.923   7.073
  116    H    GLY  35           H        GLY  35  -8.853   1.998   3.800
  117    HA2  GLY  35           1HA      GLY  35 -10.045  -0.619   3.866
  118    HA3  GLY  35           2HA      GLY  35  -9.616   0.333   2.424
  119    H    LEU  36           H        LEU  36  -6.759   0.535   2.966
  120    HA   LEU  36           HA       LEU  36  -5.781  -2.037   2.179
  121    HB2  LEU  36           1HB      LEU  36  -4.196   0.188   3.563
  122    HB3  LEU  36           2HB      LEU  36  -3.529  -1.199   2.727
  123    HG   LEU  36           HG       LEU  36  -4.947   1.175   1.495
  124   HD11  LEU  36          1HD1      LEU  36  -2.539   1.391   2.082
  125   HD12  LEU  36          2HD1      LEU  36  -2.179  -0.010   1.051
  126   HD13  LEU  36          3HD1      LEU  36  -2.825   1.476   0.332
  127   HD21  LEU  36          3HD2      LEU  36  -4.581   0.078  -0.701
  128   HD22  LEU  36          1HD2      LEU  36  -4.162  -1.432   0.141
  129   HD23  LEU  36          2HD2      LEU  36  -5.794  -0.725   0.297
  130    H    ARG  37           H        ARG  37  -5.668  -0.529   5.479
  131    HA   ARG  37           HA       ARG  37  -4.624  -2.843   6.743
  132    HB2  ARG  37           1HB      ARG  37  -4.809  -0.657   7.850
  133    HB3  ARG  37           2HB      ARG  37  -6.575  -0.771   7.848
  134    HG2  ARG  37           1HG      ARG  37  -6.491  -2.741   9.340
  135    HG3  ARG  37           2HG      ARG  37  -4.722  -2.740   9.253
  136    HD2  ARG  37           1HD      ARG  37  -4.770  -0.418  10.229
  137    HD3  ARG  37           2HD      ARG  37  -6.523  -0.588  10.404
  138    HE   ARG  37           HE       ARG  37  -4.796  -2.654  11.699
  139   HH11  ARG  37          1HH1      ARG  37  -6.686   0.302  12.235
  140   HH12  ARG  37          2HH1      ARG  37  -6.903  -0.047  13.922
  141   HH21  ARG  37          1HH2      ARG  37  -5.202  -3.084  13.845
  142   HH22  ARG  37          2HH2      ARG  37  -6.051  -1.914  14.825
  143    H    GLU  38           H        GLU  38  -8.004  -2.039   5.999
  144    HA   GLU  38           HA       GLU  38  -9.245  -4.200   7.249
  145    HB2  GLU  38           1HB      GLU  38 -10.134  -2.071   5.834
  146    HB3  GLU  38           2HB      GLU  38 -10.345  -3.309   4.591
  147    HG2  GLU  38           1HG      GLU  38 -11.621  -4.668   6.282
  148    HG3  GLU  38           2HG      GLU  38 -11.404  -3.342   7.436
  149    H    TYR  39           H        TYR  39  -7.662  -4.154   4.053
  150    HA   TYR  39           HA       TYR  39  -8.382  -6.948   3.452
  151    HB2  TYR  39           1HB      TYR  39  -8.250  -5.188   1.722
  152    HB3  TYR  39           2HB      TYR  39  -6.531  -4.989   2.042
  153    HD1  TYR  39           1HD      TYR  39  -9.105  -7.515   1.018
  154    HD2  TYR  39           2HD      TYR  39  -4.937  -6.411   0.953
  155    HE1  TYR  39           1HE      TYR  39  -8.619  -9.460  -0.445
  156    HE2  TYR  39           2HE      TYR  39  -4.445  -8.342  -0.523
  157    HH   TYR  39           HH       TYR  39  -7.012 -10.678  -1.508
  158    H    PHE  40           H        PHE  40  -5.442  -5.156   4.422
  159    HA   PHE  40           HA       PHE  40  -3.802  -7.525   4.214
  160    HB2  PHE  40           1HB      PHE  40  -3.276  -4.650   4.921
  161    HB3  PHE  40           2HB      PHE  40  -2.037  -5.848   5.159
  162    HD1  PHE  40           2HD      PHE  40  -1.781  -7.586   3.039
  163    HD2  PHE  40           1HD      PHE  40  -3.345  -3.580   2.785
  164    HE1  PHE  40           2HE      PHE  40  -1.366  -7.575   0.599
  165    HE2  PHE  40           1HE      PHE  40  -2.939  -3.576   0.347
  166    HZ   PHE  40           HZ       PHE  40  -1.954  -5.577  -0.758
  167    H    GLY  41           H        GLY  41  -5.602  -6.190   6.857
  168    HA2  GLY  41           1HA      GLY  41  -4.269  -7.425   9.041
  169    HA3  GLY  41           2HA      GLY  41  -5.990  -7.021   8.957
  170    H    GLN  42           H        GLN  42  -5.861  -8.984   6.436
  171    HA   GLN  42           HA       GLN  42  -6.674 -11.441   7.769
  172    HB2  GLN  42           1HB      GLN  42  -5.928 -10.921   4.856
  173    HB3  GLN  42           2HB      GLN  42  -6.791 -12.329   5.478
  174    HG2  GLN  42           1HG      GLN  42  -8.680 -10.855   6.177
  175    HG3  GLN  42           2HG      GLN  42  -7.823  -9.462   5.522
  176   HE21  GLN  42          2HE2      GLN  42  -7.305  -9.498   3.146
  177   HE22  GLN  42          1HE2      GLN  42  -8.422 -10.349   2.080
  178    H    PHE  43           H        PHE  43  -3.630 -10.191   6.541
  179    HA   PHE  43           HA       PHE  43  -2.284 -12.843   6.679
  180    HB2  PHE  43           1HB      PHE  43  -1.265 -10.177   5.631
  181    HB3  PHE  43           2HB      PHE  43  -0.525 -11.749   5.410
  182    HD1  PHE  43           2HD      PHE  43  -1.537 -13.405   3.824
  183    HD2  PHE  43           1HD      PHE  43  -3.216  -9.493   4.324
  184    HE1  PHE  43           2HE      PHE  43  -2.866 -13.719   1.756
  185    HE2  PHE  43           1HE      PHE  43  -4.550  -9.783   2.252
  186    HZ   PHE  43           HZ       PHE  43  -4.391 -11.916   0.973
  187    H    GLY  44           H        GLY  44  -2.418  -9.741   8.309
  188    HA2  GLY  44           1HA      GLY  44  -1.540 -10.570  10.800
  189    HA3  GLY  44           2HA      GLY  44  -0.072 -10.038   9.992
  190    H    GLU  45           H        GLU  45  -1.156  -8.740  12.307
  191    HA   GLU  45           HA       GLU  45  -2.641  -6.392  11.576
  192    HB2  GLU  45           1HB      GLU  45  -2.548  -7.253  13.877
  193    HB3  GLU  45           2HB      GLU  45  -0.822  -6.894  13.961
  194    HG2  GLU  45           1HG      GLU  45  -2.169  -5.212  15.120
  195    HG3  GLU  45           2HG      GLU  45  -1.263  -4.491  13.802
  196    H    VAL  46           H        VAL  46  -1.937  -4.247  11.306
  197    HA   VAL  46           HA       VAL  46   0.679  -4.138   9.901
  198    HB   VAL  46           HB       VAL  46  -0.217  -2.478   8.485
  199   HG11  VAL  46          1HG1      VAL  46  -0.693  -4.860   7.934
  200   HG12  VAL  46          2HG1      VAL  46  -2.294  -4.692   8.693
  201   HG13  VAL  46          3HG1      VAL  46  -1.883  -3.735   7.261
  202   HG21  VAL  46          3HG2      VAL  46  -2.679  -1.872   8.591
  203   HG22  VAL  46          1HG2      VAL  46  -2.661  -2.469  10.256
  204   HG23  VAL  46          2HG2      VAL  46  -1.619  -1.105   9.778
  205    H    LYS  47           H        LYS  47   2.139  -2.731  10.312
  206    HA   LYS  47           HA       LYS  47   2.138  -1.110  12.771
  207    HB2  LYS  47           1HB      LYS  47   3.959  -2.654  12.037
  208    HB3  LYS  47           2HB      LYS  47   4.237  -1.641  10.619
  209    HG2  LYS  47           1HG      LYS  47   4.845   0.261  12.118
  210    HG3  LYS  47           2HG      LYS  47   4.576  -0.778  13.523
  211    HD2  LYS  47           1HD      LYS  47   6.660  -1.193  11.331
  212    HD3  LYS  47           2HD      LYS  47   6.965  -0.572  12.958
  213    HE2  LYS  47           1HE      LYS  47   6.158  -2.739  13.920
  214    HE3  LYS  47           2HE      LYS  47   5.931  -3.362  12.277
  215    HZ1  LYS  47           3HZ      LYS  47   8.059  -4.051  13.193
  216    HZ2  LYS  47           1HZ      LYS  47   8.312  -3.081  11.901
  217    HZ3  LYS  47           2HZ      LYS  47   8.531  -2.503  13.418
  218    H    GLU  48           H        GLU  48   1.735  -0.636   9.334
  219    HA   GLU  48           HA       GLU  48   1.040   2.173   9.587
  220    HB2  GLU  48           1HB      GLU  48   3.527   2.304   9.552
  221    HB3  GLU  48           2HB      GLU  48   3.548   1.371   8.058
  222    HG2  GLU  48           1HG      GLU  48   2.439   3.187   6.855
  223    HG3  GLU  48           2HG      GLU  48   2.266   4.107   8.359
  224    H    CYS  49           H        CYS  49  -0.166   2.835   7.802
  225    HA   CYS  49           HA       CYS  49  -0.259   1.243   5.323
  226    HB2  CYS  49           1HB      CYS  49  -2.599   1.607   7.228
  227    HB3  CYS  49           2HB      CYS  49  -2.874   1.530   5.478
  228    HG   CYS  49           HG       CYS  49  -0.887  -0.598   6.967
  229    H    LEU  50           H        LEU  50  -0.498   2.557   3.568
  230    HA   LEU  50           HA       LEU  50  -1.163   5.445   3.911
  231    HB2  LEU  50           1HB      LEU  50   1.361   4.211   2.773
  232    HB3  LEU  50           2HB      LEU  50   0.900   5.877   2.478
  233    HG   LEU  50           HG       LEU  50   1.538   4.733   5.222
  234   HD11  LEU  50          1HD1      LEU  50   3.496   4.774   3.719
  235   HD12  LEU  50          2HD1      LEU  50   3.181   6.478   3.321
  236   HD13  LEU  50          3HD1      LEU  50   3.644   6.010   4.974
  237   HD21  LEU  50          3HD2      LEU  50   1.599   7.109   5.916
  238   HD22  LEU  50          1HD2      LEU  50   1.092   7.611   4.289
  239   HD23  LEU  50          2HD2      LEU  50  -0.008   6.682   5.331
  240    H    VAL  51           H        VAL  51  -2.002   6.415   2.134
  241    HA   VAL  51           HA       VAL  51  -1.828   5.041  -0.529
  242    HB   VAL  51           HB       VAL  51  -4.303   6.321   0.688
  243   HG11  VAL  51          1HG1      VAL  51  -4.103   7.221  -1.586
  244   HG12  VAL  51          2HG1      VAL  51  -3.793   5.595  -2.233
  245   HG13  VAL  51          3HG1      VAL  51  -5.379   6.010  -1.542
  246   HG21  VAL  51          3HG2      VAL  51  -5.358   4.177   0.035
  247   HG22  VAL  51          1HG2      VAL  51  -3.810   3.597  -0.612
  248   HG23  VAL  51          2HG2      VAL  51  -4.001   3.895   1.128
  249    H    MET  52           H        MET  52  -1.058   6.268  -2.075
  250    HA   MET  52           HA       MET  52  -0.049   8.955  -1.331
  251    HB2  MET  52           1HB      MET  52   0.684   6.925  -3.461
  252    HB3  MET  52           2HB      MET  52   1.473   8.505  -3.298
  253    HG2  MET  52           1HG      MET  52   1.433   6.442  -1.071
  254    HG3  MET  52           2HG      MET  52   2.702   6.603  -2.270
  255    HE1  MET  52           3HE      MET  52   2.296   8.943   1.546
  256    HE2  MET  52           1HE      MET  52   0.854   8.361   0.684
  257    HE3  MET  52           2HE      MET  52   2.108   7.210   1.209
  258    H    ARG  53           H        ARG  53  -2.663   9.186  -1.722
  259    HA   ARG  53           HA       ARG  53  -3.583   9.454  -4.369
  260    HB2  ARG  53           1HB      ARG  53  -5.591  10.387  -3.447
  261    HB3  ARG  53           2HB      ARG  53  -5.040   9.074  -2.423
  262    HG2  ARG  53           1HG      ARG  53  -4.115  10.771  -0.809
  263    HG3  ARG  53           2HG      ARG  53  -4.768  12.050  -1.860
  264    HD2  ARG  53           1HD      ARG  53  -7.042  10.922  -1.638
  265    HD3  ARG  53           2HD      ARG  53  -6.328   9.881  -0.394
  266    HE   ARG  53           HE       ARG  53  -5.715  12.499   0.373
  267   HH11  ARG  53          1HH1      ARG  53  -8.707  10.659  -0.083
  268   HH12  ARG  53          2HH1      ARG  53  -9.582  11.630   1.063
  269   HH21  ARG  53          1HH2      ARG  53  -6.905  13.704   1.843
  270   HH22  ARG  53          2HH2      ARG  53  -8.573  13.322   2.140
  271    H    ASP  54           H        ASP  54  -4.486  11.299  -5.449
  272    HA   ASP  54           HA       ASP  54  -2.727  13.634  -5.629
  273    HB2  ASP  54           1HB      ASP  54  -3.658  12.622  -7.634
  274    HB3  ASP  54           2HB      ASP  54  -5.297  12.802  -7.013
  275    HA   PRO  55           HA       PRO  55  -5.232  15.593  -2.502
  276    HB2  PRO  55           1HB      PRO  55  -4.040  18.043  -2.282
  277    HB3  PRO  55           2HB      PRO  55  -3.231  16.521  -1.797
  278    HG2  PRO  55           1HG      PRO  55  -2.950  18.019  -4.422
  279    HG3  PRO  55           2HG      PRO  55  -1.648  17.405  -3.358
  280    HD2  PRO  55           1HD      PRO  55  -2.532  16.006  -5.533
  281    HD3  PRO  55           2HD      PRO  55  -2.016  15.182  -4.029
  282    H    LEU  56           H        LEU  56  -5.319  16.744  -5.796
  283    HA   LEU  56           HA       LEU  56  -7.353  18.831  -5.233
  284    HB2  LEU  56           1HB      LEU  56  -5.869  17.855  -7.698
  285    HB3  LEU  56           2HB      LEU  56  -7.351  18.776  -7.846
  286    HG   LEU  56           HG       LEU  56  -6.385  20.660  -6.600
  287   HD11  LEU  56          1HD1      LEU  56  -4.714  19.612  -5.172
  288   HD12  LEU  56          2HD1      LEU  56  -3.813  19.018  -6.591
  289   HD13  LEU  56          3HD1      LEU  56  -3.906  20.758  -6.240
  290   HD21  LEU  56          3HD2      LEU  56  -4.853  21.396  -8.388
  291   HD22  LEU  56          1HD2      LEU  56  -4.689  19.719  -8.956
  292   HD23  LEU  56          2HD2      LEU  56  -6.255  20.555  -9.065
  293    H    THR  57           H        THR  57  -7.107  15.623  -6.767
  294    HA   THR  57           HA       THR  57 -10.063  15.555  -7.206
  295    HB   THR  57           HB       THR  57  -9.579  13.785  -8.809
  296    HG1  THR  57           1HG      THR  57  -6.849  14.274  -8.191
  297   HG21  THR  57          3HG2      THR  57  -8.384  15.038 -10.503
  298   HG22  THR  57          1HG2      THR  57  -9.451  16.133  -9.605
  299   HG23  THR  57          2HG2      THR  57  -7.700  16.137  -9.288
  300    H    LYS  58           H        LYS  58  -7.749  14.253  -5.109
  301    HA   LYS  58           HA       LYS  58  -7.724  12.753  -3.470
  302    HB2  LYS  58           1HB      LYS  58 -10.741  12.873  -3.783
  303    HB3  LYS  58           2HB      LYS  58  -9.950  11.872  -2.584
  304    HG2  LYS  58           1HG      LYS  58 -10.662  13.955  -1.610
  305    HG3  LYS  58           2HG      LYS  58  -8.912  13.785  -1.517
  306    HD2  LYS  58           1HD      LYS  58  -8.579  15.437  -3.248
  307    HD3  LYS  58           2HD      LYS  58 -10.318  15.467  -3.633
  308    HE2  LYS  58           1HE      LYS  58 -10.810  16.400  -1.414
  309    HE3  LYS  58           2HE      LYS  58  -9.105  16.275  -0.951
  310    HZ1  LYS  58           3HZ      LYS  58  -9.703  18.522  -1.690
  311    HZ2  LYS  58           1HZ      LYS  58  -8.552  17.875  -2.657
  312    HZ3  LYS  58           2HZ      LYS  58 -10.108  17.966  -3.175
  313    H    ARG  59           H        ARG  59  -8.159  11.885  -6.524
  314    HA   ARG  59           HA       ARG  59  -8.608   9.063  -6.586
  315    HB2  ARG  59           1HB      ARG  59  -6.811  10.862  -8.261
  316    HB3  ARG  59           2HB      ARG  59  -7.196   9.181  -8.654
  317    HG2  ARG  59           1HG      ARG  59  -9.556   9.697  -8.922
  318    HG3  ARG  59           2HG      ARG  59  -9.314  11.357  -8.352
  319    HD2  ARG  59           1HD      ARG  59  -7.797  11.796 -10.268
  320    HD3  ARG  59           2HD      ARG  59  -8.101  10.157 -10.871
  321    HE   ARG  59           HE       ARG  59 -10.610  11.394 -10.492
  322   HH11  ARG  59          1HH1      ARG  59  -7.822  11.835 -12.619
  323   HH12  ARG  59          2HH1      ARG  59  -8.779  12.550 -13.884
  324   HH21  ARG  59          1HH2      ARG  59 -11.793  12.315 -12.163
  325   HH22  ARG  59          2HH2      ARG  59 -10.999  12.809 -13.627
  326    H    SER  60           H        SER  60  -7.488   7.448  -5.729
  327    HA   SER  60           HA       SER  60  -5.168   7.661  -4.157
  328    HB2  SER  60           1HB      SER  60  -5.233   5.301  -4.034
  329    HB3  SER  60           2HB      SER  60  -6.917   5.814  -4.269
  330    HG   SER  60           HG       SER  60  -6.630   4.221  -5.724
  331    H    ARG  61           H        ARG  61  -5.210   7.819  -7.541
  332    HA   ARG  61           HA       ARG  61  -3.736   7.643  -9.236
  333    HB2  ARG  61           1HB      ARG  61  -1.415   7.531  -7.284
  334    HB3  ARG  61           2HB      ARG  61  -1.413   8.038  -8.971
  335    HG2  ARG  61           1HG      ARG  61  -2.913   9.998  -8.270
  336    HG3  ARG  61           2HG      ARG  61  -2.605   9.505  -6.596
  337    HD2  ARG  61           1HD      ARG  61  -0.043   9.556  -7.534
  338    HD3  ARG  61           2HD      ARG  61  -0.772  10.765  -8.601
  339    HE   ARG  61           HE       ARG  61  -1.106  10.868  -5.637
  340   HH11  ARG  61          1HH1      ARG  61   0.405  12.415  -8.436
  341   HH12  ARG  61          2HH1      ARG  61   0.874  13.811  -7.513
  342   HH21  ARG  61          1HH2      ARG  61  -0.597  12.715  -4.546
  343   HH22  ARG  61          2HH2      ARG  61   0.369  13.949  -5.315
  344    H    GLY  62           H        GLY  62  -4.570   5.200  -7.429
  345    HA2  GLY  62           1HA      GLY  62  -4.624   2.953  -7.841
  346    HA3  GLY  62           2HA      GLY  62  -3.437   3.148  -9.148
  347    H    PHE  63           H        PHE  63  -2.400   4.441  -6.020
  348    HA   PHE  63           HA       PHE  63  -1.261   1.885  -5.241
  349    HB2  PHE  63           1HB      PHE  63   0.945   2.164  -5.712
  350    HB3  PHE  63           2HB      PHE  63   0.225   2.861  -7.132
  351    HD1  PHE  63           2HD      PHE  63   0.062   5.481  -7.245
  352    HD2  PHE  63           1HD      PHE  63   2.388   3.359  -4.298
  353    HE1  PHE  63           2HE      PHE  63   1.392   7.541  -6.796
  354    HE2  PHE  63           1HE      PHE  63   3.785   5.371  -3.953
  355    HZ   PHE  63           HZ       PHE  63   3.274   7.465  -5.143
  356    H    GLY  64           H        GLY  64  -0.017   1.776  -3.412
  357    HA2  GLY  64           1HA      GLY  64   0.161   4.021  -1.504
  358    HA3  GLY  64           2HA      GLY  64  -0.937   2.719  -1.062
  359    H    PHE  65           H        PHE  65   0.471   2.510   0.780
  360    HA   PHE  65           HA       PHE  65   2.640   0.539   0.382
  361    HB2  PHE  65           1HB      PHE  65   2.976   3.220   1.779
  362    HB3  PHE  65           2HB      PHE  65   3.989   1.851   2.135
  363    HD1  PHE  65           1HD      PHE  65   3.190   4.435  -0.432
  364    HD2  PHE  65           2HD      PHE  65   5.699   1.082   0.654
  365    HE1  PHE  65           1HE      PHE  65   4.895   5.165  -2.061
  366    HE2  PHE  65           2HE      PHE  65   7.381   1.819  -0.990
  367    HZ   PHE  65           HZ       PHE  65   6.990   3.875  -2.355
  368    H    VAL  66           H        VAL  66   2.954  -0.809   2.173
  369    HA   VAL  66           HA       VAL  66   1.349  -0.361   4.650
  370    HB   VAL  66           HB       VAL  66   1.158  -2.874   2.940
  371   HG11  VAL  66          1HG1      VAL  66   1.232  -3.630   5.240
  372   HG12  VAL  66          2HG1      VAL  66   0.085  -2.372   5.745
  373   HG13  VAL  66          3HG1      VAL  66  -0.442  -3.703   4.696
  374   HG21  VAL  66          3HG2      VAL  66  -1.278  -2.371   2.925
  375   HG22  VAL  66          1HG2      VAL  66  -0.962  -0.856   3.792
  376   HG23  VAL  66          2HG2      VAL  66  -0.339  -1.091   2.166
  377    H    THR  67           H        THR  67   2.316  -1.093   6.457
  378    HA   THR  67           HA       THR  67   4.783  -2.794   6.264
  379    HB   THR  67           HB       THR  67   4.270  -0.690   8.395
  380    HG1  THR  67           1HG      THR  67   5.498   0.679   7.209
  381   HG21  THR  67          3HG2      THR  67   6.737  -0.907   8.714
  382   HG22  THR  67          1HG2      THR  67   5.897  -2.433   9.022
  383   HG23  THR  67          2HG2      THR  67   6.769  -2.201   7.499
  384    H    PHE  68           H        PHE  68   4.785  -4.558   7.574
  385    HA   PHE  68           HA       PHE  68   2.359  -5.095   9.200
  386    HB2  PHE  68           1HB      PHE  68   4.542  -6.850   8.045
  387    HB3  PHE  68           2HB      PHE  68   3.364  -7.425   9.215
  388    HD1  PHE  68           2HD      PHE  68   0.996  -7.638   8.708
  389    HD2  PHE  68           1HD      PHE  68   3.796  -6.307   5.714
  390    HE1  PHE  68           2HE      PHE  68  -0.665  -8.111   6.940
  391    HE2  PHE  68           1HE      PHE  68   2.134  -6.805   3.939
  392    HZ   PHE  68           HZ       PHE  68  -0.097  -7.719   4.552
  393    H    MET  69           H        MET  69   2.458  -5.898  11.317
  394    HA   MET  69           HA       MET  69   4.503  -4.878  13.088
  395    HB2  MET  69           1HB      MET  69   2.283  -6.923  13.461
  396    HB3  MET  69           2HB      MET  69   3.327  -6.364  14.767
  397    HG2  MET  69           1HG      MET  69   1.537  -4.552  13.101
  398    HG3  MET  69           2HG      MET  69   1.158  -5.192  14.697
  399    HE1  MET  69           3HE      MET  69   1.618  -1.527  15.680
  400    HE2  MET  69           1HE      MET  69   0.732  -2.287  14.340
  401    HE3  MET  69           2HE      MET  69   0.704  -3.024  15.954
  402    H    ASP  70           H        ASP  70   4.451  -7.716  11.141
  403    HA   ASP  70           HA       ASP  70   7.123  -8.437  12.039
  404    HB2  ASP  70           1HB      ASP  70   5.541  -9.747  13.559
  405    HB3  ASP  70           2HB      ASP  70   4.963 -10.573  12.107
  406    H    GLN  71           H        GLN  71   8.186  -9.848  10.561
  407    HA   GLN  71           HA       GLN  71   7.675  -9.391   7.797
  408    HB2  GLN  71           1HB      GLN  71   9.871  -9.888   8.950
  409    HB3  GLN  71           2HB      GLN  71   9.339 -11.552   9.154
  410    HG2  GLN  71           1HG      GLN  71  10.862 -11.379   7.254
  411    HG3  GLN  71           2HG      GLN  71   9.269 -11.843   6.687
  412   HE21  GLN  71          2HE2      GLN  71  10.153 -11.077   4.541
  413   HE22  GLN  71          1HE2      GLN  71  10.086  -9.356   4.202
  414    H    ALA  72           H        ALA  72   6.549 -11.979   9.937
  415    HA   ALA  72           HA       ALA  72   5.920 -13.962   8.041
  416    HB1  ALA  72           1HB      ALA  72   5.897 -14.273  10.493
  417    HB2  ALA  72           2HB      ALA  72   4.464 -13.221  10.618
  418    HB3  ALA  72           3HB      ALA  72   4.357 -14.778   9.769
  419    H    GLY  73           H        GLY  73   4.198 -10.919   8.571
  420    HA2  GLY  73           1HA      GLY  73   1.866 -11.785   6.982
  421    HA3  GLY  73           2HA      GLY  73   2.202 -10.140   7.555
  422    H    VAL  74           H        VAL  74   4.929 -10.158   6.384
  423    HA   VAL  74           HA       VAL  74   4.302  -9.236   3.686
  424    HB   VAL  74           HB       VAL  74   6.975  -9.747   5.057
  425   HG11  VAL  74          1HG1      VAL  74   7.385 -10.026   2.692
  426   HG12  VAL  74          2HG1      VAL  74   6.468  -8.556   2.305
  427   HG13  VAL  74          3HG1      VAL  74   8.001  -8.452   3.190
  428   HG21  VAL  74          3HG2      VAL  74   7.139  -7.289   5.082
  429   HG22  VAL  74          1HG2      VAL  74   5.520  -7.169   4.370
  430   HG23  VAL  74          2HG2      VAL  74   5.738  -7.854   5.999
  431    H    ASP  75           H        ASP  75   5.963 -12.103   5.096
  432    HA   ASP  75           HA       ASP  75   6.623 -13.508   2.793
  433    HB2  ASP  75           1HB      ASP  75   7.167 -14.085   5.187
  434    HB3  ASP  75           2HB      ASP  75   5.525 -14.664   5.395
  435    H    LYS  76           H        LYS  76   3.458 -13.623   4.503
  436    HA   LYS  76           HA       LYS  76   2.242 -15.543   2.760
  437    HB2  LYS  76           1HB      LYS  76   1.027 -13.340   4.471
  438    HB3  LYS  76           2HB      LYS  76   0.129 -14.679   3.718
  439    HG2  LYS  76           1HG      LYS  76   1.123 -16.324   5.097
  440    HG3  LYS  76           2HG      LYS  76   2.373 -15.212   5.681
  441    HD2  LYS  76           1HD      LYS  76   0.574 -13.772   6.678
  442    HD3  LYS  76           2HD      LYS  76  -0.642 -14.967   6.174
  443    HE2  LYS  76           1HE      LYS  76   0.460 -16.666   7.589
  444    HE3  LYS  76           2HE      LYS  76   1.708 -15.484   8.039
  445    HZ1  LYS  76           3HZ      LYS  76   0.045 -15.560   9.759
  446    HZ2  LYS  76           1HZ      LYS  76  -0.105 -14.112   8.997
  447    HZ3  LYS  76           2HZ      LYS  76  -1.178 -15.313   8.704
  448    H    VAL  77           H        VAL  77   2.355 -11.983   2.569
  449    HA   VAL  77           HA       VAL  77   0.414 -11.807   0.437
  450    HB   VAL  77           HB       VAL  77   2.498  -9.807   1.361
  451   HG11  VAL  77          1HG1      VAL  77   1.876  -9.206  -0.955
  452   HG12  VAL  77          2HG1      VAL  77   0.154  -9.338  -0.539
  453   HG13  VAL  77          3HG1      VAL  77   1.161  -8.070   0.187
  454   HG21  VAL  77          3HG2      VAL  77   0.586  -8.704   2.457
  455   HG22  VAL  77          1HG2      VAL  77  -0.542  -9.893   1.769
  456   HG23  VAL  77          2HG2      VAL  77   0.630 -10.389   2.990
  457    H    LEU  78           H        LEU  78   3.953 -12.263   0.475
  458    HA   LEU  78           HA       LEU  78   4.257 -12.046  -2.426
  459    HB2  LEU  78           1HB      LEU  78   5.988 -13.388  -0.317
  460    HB3  LEU  78           2HB      LEU  78   6.496 -12.952  -1.945
  461    HG   LEU  78           HG       LEU  78   5.606 -10.903   0.137
  462   HD11  LEU  78          1HD1      LEU  78   7.473 -12.182   0.945
  463   HD12  LEU  78          2HD1      LEU  78   8.358 -11.964  -0.583
  464   HD13  LEU  78          3HD1      LEU  78   8.044 -10.560   0.474
  465   HD21  LEU  78          3HD2      LEU  78   6.788  -9.303  -1.310
  466   HD22  LEU  78          1HD2      LEU  78   7.088 -10.588  -2.503
  467   HD23  LEU  78          2HD2      LEU  78   5.424 -10.056  -2.140
  468    H    ALA  79           H        ALA  79   3.887 -14.717  -0.094
  469    HA   ALA  79           HA       ALA  79   4.281 -16.805  -1.949
  470    HB1  ALA  79           1HB      ALA  79   4.511 -17.043   0.492
  471    HB2  ALA  79           2HB      ALA  79   2.757 -16.811   0.694
  472    HB3  ALA  79           3HB      ALA  79   3.377 -18.245  -0.150
  473    H    GLN  80           H        GLN  80   1.365 -14.941  -1.345
  474    HA   GLN  80           HA       GLN  80  -0.382 -16.823  -2.801
  475    HB2  GLN  80           1HB      GLN  80  -1.196 -15.648  -0.807
  476    HB3  GLN  80           2HB      GLN  80  -0.915 -14.084  -1.581
  477    HG2  GLN  80           1HG      GLN  80  -2.587 -14.578  -3.294
  478    HG3  GLN  80           2HG      GLN  80  -2.790 -16.225  -2.695
  479   HE21  GLN  80          2HE2      GLN  80  -4.468 -13.462  -2.818
  480   HE22  GLN  80          1HE2      GLN  80  -5.315 -13.580  -1.273
  481    H    SER  81           H        SER  81  -0.941 -16.652  -4.936
  482    HA   SER  81           HA       SER  81   0.765 -15.067  -6.591
  483    HB2  SER  81           1HB      SER  81  -1.586 -16.803  -7.405
  484    HB3  SER  81           2HB      SER  81  -0.219 -16.310  -8.416
  485    HG   SER  81           HG       SER  81   0.047 -18.446  -7.590
  486    H    ARG  82           H        ARG  82  -2.310 -14.166  -5.375
  487    HA   ARG  82           HA       ARG  82  -2.558 -11.878  -7.161
  488    HB2  ARG  82           1HB      ARG  82  -3.474 -13.780  -8.522
  489    HB3  ARG  82           2HB      ARG  82  -4.684 -14.066  -7.273
  490    HG2  ARG  82           1HG      ARG  82  -5.673 -11.856  -7.668
  491    HG3  ARG  82           2HG      ARG  82  -4.378 -11.433  -8.801
  492    HD2  ARG  82           1HD      ARG  82  -6.321 -13.746  -9.178
  493    HD3  ARG  82           2HD      ARG  82  -6.564 -12.122  -9.850
  494    HE   ARG  82           HE       ARG  82  -4.012 -12.922 -10.683
  495   HH11  ARG  82          1HH1      ARG  82  -7.324 -14.027 -11.261
  496   HH12  ARG  82          2HH1      ARG  82  -6.931 -14.674 -12.826
  497   HH21  ARG  82          1HH2      ARG  82  -3.573 -13.783 -12.705
  498   HH22  ARG  82          2HH2      ARG  82  -4.837 -14.532 -13.631
  499    H    HIS  83           H        HIS  83  -4.014 -10.326  -6.422
  500    HA   HIS  83           HA       HIS  83  -5.529 -10.766  -3.902
  501    HB2  HIS  83           1HB      HIS  83  -3.341  -8.707  -4.396
  502    HB3  HIS  83           2HB      HIS  83  -4.476  -8.624  -3.048
  503    HD1  HIS  83           1HD      HIS  83  -4.188 -10.606  -1.156
  504    HD2  HIS  83           2HD      HIS  83  -1.252 -10.316  -4.150
  505    HE1  HIS  83           1HE      HIS  83  -2.171 -11.951  -0.329
  506    H    GLU  84           H        GLU  84  -7.145  -9.054  -3.517
  507    HA   GLU  84           HA       GLU  84  -7.783  -7.220  -5.731
  508    HB2  GLU  84           1HB      GLU  84  -8.644  -9.528  -6.377
  509    HB3  GLU  84           2HB      GLU  84  -9.717  -9.439  -4.976
  510    HG2  GLU  84           1HG      GLU  84 -10.641  -7.268  -5.968
  511    HG3  GLU  84           2HG      GLU  84  -9.673  -7.602  -7.407
  512    H    LEU  85           H        LEU  85  -8.777  -5.464  -5.015
  513    HA   LEU  85           HA       LEU  85 -10.325  -5.404  -2.497
  514    HB2  LEU  85           1HB      LEU  85  -8.031  -5.100  -1.746
  515    HB3  LEU  85           2HB      LEU  85  -7.728  -3.899  -3.006
  516    HG   LEU  85           HG       LEU  85  -9.267  -2.316  -1.908
  517   HD11  LEU  85          1HD1      LEU  85 -10.885  -3.752  -0.806
  518   HD12  LEU  85          2HD1      LEU  85  -9.617  -4.542   0.146
  519   HD13  LEU  85          3HD1      LEU  85 -10.033  -2.845   0.453
  520   HD21  LEU  85          3HD2      LEU  85  -7.861  -1.873   0.065
  521   HD22  LEU  85          1HD2      LEU  85  -7.176  -3.508  -0.033
  522   HD23  LEU  85          2HD2      LEU  85  -6.872  -2.335  -1.333
  523    H    ASP  86           H        ASP  86 -12.020  -4.088  -2.727
  524    HA   ASP  86           HA       ASP  86 -13.619  -2.859  -3.712
  525    HB2  ASP  86           1HB      ASP  86 -12.014  -1.044  -3.057
  526    HB3  ASP  86           2HB      ASP  86 -11.407  -1.034  -4.712
  527    H    SER  87           H        SER  87 -12.868  -5.103  -5.123
  528    HA   SER  87           HA       SER  87 -13.172  -6.226  -7.069
  529    HB2  SER  87           1HB      SER  87 -14.627  -3.750  -8.052
  530    HB3  SER  87           2HB      SER  87 -14.716  -5.381  -8.726
  531    HG   SER  87           HG       SER  87 -16.478  -4.918  -7.302
  532    H    LYS  88           H        LYS  88 -10.765  -4.387  -6.776
  533    HA   LYS  88           HA       LYS  88  -9.863  -4.327  -9.635
  534    HB2  LYS  88           1HB      LYS  88  -9.597  -2.379  -7.343
  535    HB3  LYS  88           2HB      LYS  88  -8.227  -2.545  -8.417
  536    HG2  LYS  88           1HG      LYS  88 -10.974  -2.107  -9.625
  537    HG3  LYS  88           2HG      LYS  88 -10.113  -0.757  -8.879
  538    HD2  LYS  88           1HD      LYS  88  -8.164  -1.119 -10.294
  539    HD3  LYS  88           2HD      LYS  88  -8.952  -2.495 -11.095
  540    HE2  LYS  88           1HE      LYS  88 -10.638  -1.078 -12.071
  541    HE3  LYS  88           2HE      LYS  88 -10.201   0.282 -11.039
  542    HZ1  LYS  88           3HZ      LYS  88  -9.244   0.599 -13.223
  543    HZ2  LYS  88           1HZ      LYS  88  -8.000   0.306 -12.190
  544    HZ3  LYS  88           2HZ      LYS  88  -8.520  -0.865 -13.204
  545    H    THR  89           H        THR  89  -8.166  -5.587 -10.071
  546    HA   THR  89           HA       THR  89  -7.019  -7.341  -8.069
  547    HB   THR  89           HB       THR  89  -6.110  -6.909 -10.939
  548    HG1  THR  89           1HG      THR  89  -7.588  -8.579 -11.379
  549   HG21  THR  89          3HG2      THR  89  -5.376  -9.269 -10.743
  550   HG22  THR  89          1HG2      THR  89  -4.562  -8.267  -9.532
  551   HG23  THR  89          2HG2      THR  89  -5.919  -9.309  -9.050
  552    H    ILE  90           H        ILE  90  -5.337  -6.912  -6.783
  553    HA   ILE  90           HA       ILE  90  -3.653  -4.515  -7.404
  554    HB   ILE  90           HB       ILE  90  -3.247  -4.216  -5.073
  555   HG12  ILE  90          1HG1      ILE  90  -5.018  -6.593  -4.468
  556   HG13  ILE  90          2HG1      ILE  90  -3.258  -6.490  -4.260
  557   HG21  ILE  90          1HG2      ILE  90  -5.312  -3.249  -6.175
  558   HG22  ILE  90          2HG2      ILE  90  -6.247  -4.616  -5.537
  559   HG23  ILE  90          3HG2      ILE  90  -5.518  -3.468  -4.434
  560   HD11  ILE  90          3HD1      ILE  90  -4.173  -6.103  -2.113
  561   HD12  ILE  90          1HD1      ILE  90  -3.650  -4.507  -2.712
  562   HD13  ILE  90          2HD1      ILE  90  -5.371  -4.956  -2.731
  563    H    ASP  91           H        ASP  91  -1.473  -4.508  -6.934
  564    HA   ASP  91           HA       ASP  91  -0.117  -7.169  -7.204
  565    HB2  ASP  91           1HB      ASP  91  -0.459  -6.093  -9.371
  566    HB3  ASP  91           2HB      ASP  91   0.309  -4.620  -8.778
  567    HA   PRO  92           HA       PRO  92   1.935  -4.742  -3.881
  568    HB2  PRO  92           1HB      PRO  92   1.648  -6.495  -1.787
  569    HB3  PRO  92           2HB      PRO  92   0.412  -5.313  -2.292
  570    HG2  PRO  92           1HG      PRO  92   0.448  -8.263  -2.789
  571    HG3  PRO  92           2HG      PRO  92  -0.950  -7.142  -2.556
  572    HD2  PRO  92           1HD      PRO  92   0.030  -8.102  -5.019
  573    HD3  PRO  92           2HD      PRO  92  -1.101  -6.750  -4.737
  574    H    LYS  93           H        LYS  93   3.989  -4.908  -3.085
  575    HA   LYS  93           HA       LYS  93   5.681  -7.274  -3.529
  576    HB2  LYS  93           1HB      LYS  93   7.088  -6.099  -5.213
  577    HB3  LYS  93           2HB      LYS  93   5.454  -6.416  -5.787
  578    HG2  LYS  93           1HG      LYS  93   4.815  -4.063  -5.303
  579    HG3  LYS  93           2HG      LYS  93   6.438  -3.740  -4.689
  580    HD2  LYS  93           1HD      LYS  93   6.299  -2.857  -6.920
  581    HD3  LYS  93           2HD      LYS  93   7.374  -4.251  -6.933
  582    HE2  LYS  93           1HE      LYS  93   6.019  -4.398  -8.896
  583    HE3  LYS  93           2HE      LYS  93   5.472  -5.664  -7.798
  584    HZ1  LYS  93           3HZ      LYS  93   3.610  -4.518  -8.765
  585    HZ2  LYS  93           1HZ      LYS  93   3.603  -4.189  -7.176
  586    HZ3  LYS  93           2HZ      LYS  93   4.117  -3.053  -8.260
  587    H    VAL  94           H        VAL  94   7.976  -6.850  -2.916
  588    HA   VAL  94           HA       VAL  94   8.072  -5.624  -0.332
  589    HB   VAL  94           HB       VAL  94  10.417  -6.482  -2.078
  590   HG11  VAL  94          1HG1      VAL  94  11.221  -5.032  -0.266
  591   HG12  VAL  94          2HG1      VAL  94  10.260  -5.938   0.926
  592   HG13  VAL  94          3HG1      VAL  94  11.635  -6.704   0.102
  593   HG21  VAL  94          3HG2      VAL  94  10.361  -8.552  -0.663
  594   HG22  VAL  94          1HG2      VAL  94   8.840  -7.986   0.061
  595   HG23  VAL  94          2HG2      VAL  94   8.929  -8.376  -1.673
  596    H    ALA  95           H        ALA  95   8.794  -3.678   0.415
  597    HA   ALA  95           HA       ALA  95   8.838  -1.502  -1.520
  598    HB1  ALA  95           1HB      ALA  95   7.548  -1.288   0.527
  599    HB2  ALA  95           2HB      ALA  95   9.005  -1.538   1.514
  600    HB3  ALA  95           3HB      ALA  95   8.838  -0.077   0.518
  601    H    PHE  96           H        PHE  96  10.447  -0.193  -2.096
  602    HA   PHE  96           HA       PHE  96  13.208  -0.689  -1.840
  603    HB2  PHE  96           1HB      PHE  96  11.697   1.914  -2.324
  604    HB3  PHE  96           2HB      PHE  96  13.396   1.700  -2.648
  605    HD1  PHE  96           1HD      PHE  96  12.659  -1.329  -3.876
  606    HD2  PHE  96           2HD      PHE  96  11.591   2.788  -4.631
  607    HE1  PHE  96           1HE      PHE  96  12.171  -1.881  -6.230
  608    HE2  PHE  96           2HE      PHE  96  11.105   2.222  -6.991
  609    HZ   PHE  96           HZ       PHE  96  11.389  -0.115  -7.799
  610    HA   PRO  97           HA       PRO  97  14.735   1.000   1.980
  611    HB2  PRO  97           1HB      PRO  97  16.367   2.916   0.301
  612    HB3  PRO  97           2HB      PRO  97  16.878   1.951   1.725
  613    HG2  PRO  97           1HG      PRO  97  17.475   1.065  -0.746
  614    HG3  PRO  97           2HG      PRO  97  16.799  -0.089   0.453
  615    HD2  PRO  97           1HD      PRO  97  15.367   1.377  -1.770
  616    HD3  PRO  97           2HD      PRO  97  15.259  -0.349  -1.308
  617    H    ARG  98           H        ARG  98  15.066   2.974   3.291
  618    HA   ARG  98           HA       ARG  98  13.320   5.263   2.706
  619    HB2  ARG  98           1HB      ARG  98  11.890   4.708   4.648
  620    HB3  ARG  98           2HB      ARG  98  11.786   3.523   3.358
  621    HG2  ARG  98           1HG      ARG  98  13.632   2.251   4.884
  622    HG3  ARG  98           2HG      ARG  98  12.952   3.292   6.132
  623    HD2  ARG  98           1HD      ARG  98  11.775   1.232   6.218
  624    HD3  ARG  98           2HD      ARG  98  10.659   2.392   5.487
  625    HE   ARG  98           HE       ARG  98  11.384   1.456   3.247
  626   HH11  ARG  98          1HH1      ARG  98  11.367  -0.668   6.084
  627   HH12  ARG  98          2HH1      ARG  98  11.178  -2.094   5.102
  628   HH21  ARG  98          1HH2      ARG  98  11.477  -0.395   2.073
  629   HH22  ARG  98          2HH2      ARG  98  11.367  -1.948   2.852
  630    H    ARG  99           H        ARG  99  13.587   6.992   4.076
  631    HA   ARG  99           HA       ARG  99  15.611   6.922   6.262
  632    HB2  ARG  99           1HB      ARG  99  15.721   8.714   3.802
  633    HB3  ARG  99           2HB      ARG  99  16.627   9.032   5.272
  634    HG2  ARG  99           1HG      ARG  99  17.010   6.539   3.550
  635    HG3  ARG  99           2HG      ARG  99  17.925   8.029   3.408
  636    HD2  ARG  99           1HD      ARG  99  19.315   6.650   4.667
  637    HD3  ARG  99           2HD      ARG  99  18.608   7.767   5.846
  638    HE   ARG  99           HE       ARG  99  17.085   5.305   5.562
  639   HH11  ARG  99          1HH1      ARG  99  19.967   6.549   7.202
  640   HH12  ARG  99          2HH1      ARG  99  19.866   5.353   8.460
  641   HH21  ARG  99          1HH2      ARG  99  17.005   3.828   7.178
  642   HH22  ARG  99          2HH2      ARG  99  18.203   3.815   8.443
  643    H    ALA 100           H        ALA 100  14.540   7.650   7.923
  644    HA   ALA 100           HA       ALA 100  13.383  10.304   8.047
  645    HB1  ALA 100           1HB      ALA 100  11.452   9.109   7.066
  646    HB2  ALA 100           2HB      ALA 100  11.550   7.871   8.341
  647    HB3  ALA 100           3HB      ALA 100  11.112   9.544   8.748
  648    H    GLN 101           H        GLN 101  13.267  11.051  10.195
  649    HA   GLN 101           HA       GLN 101  13.729   9.300  12.478
  650    HB2  GLN 101           1HB      GLN 101  15.835  10.423  13.031
  651    HB3  GLN 101           2HB      GLN 101  15.984   9.513  11.535
  652    HG2  GLN 101           1HG      GLN 101  16.048  11.503  10.209
  653    HG3  GLN 101           2HG      GLN 101  15.425  12.511  11.514
  654   HE21  GLN 101          2HE2      GLN 101  16.828  13.183  13.242
  655   HE22  GLN 101          1HE2      GLN 101  18.575  13.025  13.069
  656    HA   PRO 102           HA       PRO 102  12.006  12.871  14.680
  657    HB2  PRO 102           1HB      PRO 102  14.136  12.418  16.758
  658    HB3  PRO 102           2HB      PRO 102  12.367  12.589  16.974
  659    HG2  PRO 102           1HG      PRO 102  13.538  10.149  17.131
  660    HG3  PRO 102           2HG      PRO 102  11.988  10.345  16.247
  661    HD2  PRO 102           1HD      PRO 102  14.798  10.254  15.108
  662    HD3  PRO 102           2HD      PRO 102  13.335   9.365  14.580
  663    H    LYS 103           H        LYS 103  12.503  15.035  15.200
  664    HA   LYS 103           HA       LYS 103  13.461  17.079  15.063
  665    HB2  LYS 103           1HB      LYS 103  16.071  15.614  15.604
  666    HB3  LYS 103           2HB      LYS 103  15.810  17.356  15.696
  667    HG2  LYS 103           1HG      LYS 103  14.135  17.032  17.498
  668    HG3  LYS 103           2HG      LYS 103  14.355  15.281  17.397
  669    HD2  LYS 103           1HD      LYS 103  15.597  16.095  19.279
  670    HD3  LYS 103           2HD      LYS 103  16.736  15.530  18.050
  671    HE2  LYS 103           1HE      LYS 103  17.121  17.876  17.328
  672    HE3  LYS 103           2HE      LYS 103  15.940  18.444  18.515
  673    HZ1  LYS 103           3HZ      LYS 103  18.209  18.643  19.354
  674    HZ2  LYS 103           1HZ      LYS 103  17.389  17.573  20.271
  675    HZ3  LYS 103           2HZ      LYS 103  18.479  17.044  19.173
  676    H5'    G 104           H5'        G 104  -5.706  -0.528 -13.346
  677   H5''    G 104          H5"         G 104  -4.251  -0.377 -12.361
  678    H4'    G 104           H4'        G 104  -4.421   1.294 -14.203
  679    H3'    G 104           H3'        G 104  -3.442   1.739 -11.660
  680    H2'    G 104           H2'        G 104  -5.263   2.763 -10.695
  681   HO2'    G 104          HO2         G 104  -3.751   4.680 -12.036
  682    H1'    G 104           H1'        G 104  -6.076   4.206 -13.212
  683    H8     G 104           8H         G 104  -7.271   2.318 -10.077
  684    H1     G 104           1H         G 104 -11.861   5.444 -13.335
  685    H21    G 104           1H2        G 104 -10.995   6.162 -15.290
  686    H22    G 104           2H2        G 104  -9.314   5.824 -15.667
  687   HO5'    G 104          H5T         G 104  -5.899  -0.612 -10.903
  688    H5'    U 105           H5'        U 105  -1.851   2.958 -10.618
  689   H5''    U 105          H5"         U 105  -0.717   4.036 -11.427
  690    H4'    U 105           H4'        U 105   0.114   3.248  -9.274
  691    H3'    U 105           H3'        U 105   1.602   3.426 -11.570
  692    H2'    U 105           H2'        U 105   1.423   1.157 -12.154
  693   HO2'    U 105          HO2         U 105   3.822   1.757 -11.044
  694    H1'    U 105           H1'        U 105   1.863   0.366  -9.273
  695    H3     U 105           3H         U 105   1.794  -3.999 -10.610
  696    H5     U 105           5H         U 105  -1.443  -2.335 -12.675
  697    H6     U 105           6H         U 105  -0.885  -0.158 -11.729
  698    H5'    A 106           H5'        A 106   5.533   6.160  -9.128
  699   H5''    A 106          H5"         A 106   6.370   4.607  -8.987
  700    H4'    A 106           H4'        A 106   5.198   6.238  -6.683
  701    H3'    A 106           H3'        A 106   7.545   6.893  -7.901
  702    H2'    A 106           H2'        A 106   8.333   4.593  -7.981
  703   HO2'    A 106          HO2         A 106   9.487   6.037  -5.829
  704    H1'    A 106           H1'        A 106   7.675   4.438  -5.032
  705    H8     A 106           8H         A 106   7.152   2.217  -8.230
  706    H61    A 106           1H6        A 106   9.047  -2.253  -4.220
  707    H62    A 106           2H6        A 106   8.552  -2.017  -5.901
  708    H2     A 106           2H         A 106   9.186   1.501  -2.169
  709    H5'    G 107           H5'        G 107   8.242   9.405  -3.203
  710   H5''    G 107          H5"         G 107   8.088   7.640  -3.229
  711    H4'    G 107           H4'        G 107   6.029   9.320  -1.763
  712    H3'    G 107           H3'        G 107   8.762   8.485  -0.746
  713    H2'    G 107           H2'        G 107   7.756   8.334   1.389
  714   HO2'    G 107          HO2         G 107   6.550  10.420   1.091
  715    H1'    G 107           H1'        G 107   5.229   7.509   0.360
  716    H8     G 107           8H         G 107   5.018   5.578   1.950
  717    H1     G 107           1H         G 107  11.097   3.603   1.047
  718    H21    G 107           1H2        G 107  12.135   5.010  -0.249
  719    H22    G 107           2H2        G 107  11.284   6.364  -0.992
  720    H5'    U 108           H5'        U 108  10.449  11.355   2.955
  721   H5''    U 108          H5"         U 108  11.485  10.351   1.934
  722    H4'    U 108           H4'        U 108  11.506   9.414   4.104
  723    H3'    U 108           H3'        U 108  10.466   7.834   1.920
  724   HO3'    U 108          H3T         U 108  11.280   6.285   3.734
  725    H2'    U 108           H2'        U 108   8.446   7.311   2.974
  726   HO2'    U 108          HO2         U 108   8.907   5.666   4.787
  727    H1'    U 108           H1'        U 108   9.659   7.770   5.694
  728    H3     U 108           3H         U 108   5.481   6.471   7.142
  729    H5     U 108           5H         U 108   4.841  10.035   5.031
  730    H6     U 108           6H         U 108   7.123   9.915   4.178
  Start of MODEL    6
    1    H    CYS  20           1H       CYS  20  10.571  -4.426   6.566
    2    HA   CYS  20           HA       CYS  20   9.076  -6.301   6.394
    3    HB2  CYS  20           1HB      CYS  20   7.701  -5.175   8.882
    4    HB3  CYS  20           2HB      CYS  20   7.302  -6.657   8.015
    5    HG   CYS  20           HG       CYS  20   8.467  -7.115  10.386
    6    H    LYS  21           H        LYS  21   9.074  -4.546   4.567
    7    HA   LYS  21           HA       LYS  21   6.567  -2.915   4.663
    8    HB2  LYS  21           1HB      LYS  21   8.670  -1.662   5.336
    9    HB3  LYS  21           2HB      LYS  21   9.236  -1.871   3.677
   10    HG2  LYS  21           1HG      LYS  21   7.171  -0.646   2.872
   11    HG3  LYS  21           2HG      LYS  21   6.652  -0.492   4.552
   12    HD2  LYS  21           1HD      LYS  21   8.972   0.666   4.933
   13    HD3  LYS  21           2HD      LYS  21   9.050   0.742   3.173
   14    HE2  LYS  21           1HE      LYS  21   8.126   2.824   3.682
   15    HE3  LYS  21           2HE      LYS  21   6.682   1.872   3.340
   16    HZ1  LYS  21           3HZ      LYS  21   6.366   3.078   5.420
   17    HZ2  LYS  21           1HZ      LYS  21   6.521   1.501   5.799
   18    HZ3  LYS  21           2HZ      LYS  21   7.775   2.523   6.027
   19    H    MET  22           H        MET  22   5.532  -2.519   2.766
   20    HA   MET  22           HA       MET  22   6.475  -3.833   0.261
   21    HB2  MET  22           1HB      MET  22   3.782  -4.245   1.632
   22    HB3  MET  22           2HB      MET  22   4.202  -4.806   0.010
   23    HG2  MET  22           1HG      MET  22   6.100  -6.130   1.028
   24    HG3  MET  22           2HG      MET  22   5.520  -5.642   2.613
   25    HE1  MET  22           3HE      MET  22   3.771  -8.740  -0.264
   26    HE2  MET  22           1HE      MET  22   3.758  -7.035  -0.764
   27    HE3  MET  22           2HE      MET  22   5.294  -7.845  -0.372
   28    H    PHE  23           H        PHE  23   5.911  -2.931  -1.545
   29    HA   PHE  23           HA       PHE  23   4.390  -0.377  -1.685
   30    HB2  PHE  23           1HB      PHE  23   6.435  -0.397  -2.956
   31    HB3  PHE  23           2HB      PHE  23   6.110  -2.001  -3.599
   32    HD1  PHE  23           1HD      PHE  23   5.200   1.591  -3.870
   33    HD2  PHE  23           2HD      PHE  23   4.586  -2.352  -5.475
   34    HE1  PHE  23           1HE      PHE  23   4.147   2.554  -5.884
   35    HE2  PHE  23           2HE      PHE  23   3.522  -1.382  -7.479
   36    HZ   PHE  23           HZ       PHE  23   3.295   1.091  -7.693
   37    H    ILE  24           H        ILE  24   2.371  -0.315  -2.617
   38    HA   ILE  24           HA       ILE  24   1.098  -2.936  -3.369
   39    HB   ILE  24           HB       ILE  24  -0.343  -0.623  -2.048
   40   HG12  ILE  24          1HG1      ILE  24   1.274  -1.234  -0.375
   41   HG13  ILE  24          2HG1      ILE  24  -0.341  -1.728   0.077
   42   HG21  ILE  24          1HG2      ILE  24  -1.662  -2.259  -3.341
   43   HG22  ILE  24          2HG2      ILE  24  -1.022  -3.579  -2.353
   44   HG23  ILE  24          3HG2      ILE  24  -2.042  -2.327  -1.611
   45   HD11  ILE  24          3HD1      ILE  24   1.436  -3.368   0.689
   46   HD12  ILE  24          1HD1      ILE  24   0.158  -4.056  -0.314
   47   HD13  ILE  24          2HD1      ILE  24   1.736  -3.662  -1.027
   48    H    GLY  25           H        GLY  25   1.113  -2.811  -5.577
   49    HA2  GLY  25           1HA      GLY  25   0.325  -0.289  -6.953
   50    HA3  GLY  25           2HA      GLY  25   1.030  -1.747  -7.679
   51    H    GLY  26           H        GLY  26  -1.083  -0.479  -8.870
   52    HA2  GLY  26           1HA      GLY  26  -2.880  -1.230 -10.115
   53    HA3  GLY  26           2HA      GLY  26  -2.813  -2.777  -9.246
   54    H    LEU  27           H        LEU  27  -3.190   0.069  -7.289
   55    HA   LEU  27           HA       LEU  27  -5.683  -0.875  -6.175
   56    HB2  LEU  27           1HB      LEU  27  -4.309   1.831  -5.875
   57    HB3  LEU  27           2HB      LEU  27  -5.614   1.232  -4.877
   58    HG   LEU  27           HG       LEU  27  -2.794   0.079  -4.981
   59   HD11  LEU  27          1HD1      LEU  27  -3.089   2.271  -3.810
   60   HD12  LEU  27          2HD1      LEU  27  -4.321   1.540  -2.779
   61   HD13  LEU  27          3HD1      LEU  27  -2.642   0.959  -2.704
   62   HD21  LEU  27          3HD2      LEU  27  -3.710  -1.228  -2.939
   63   HD22  LEU  27          1HD2      LEU  27  -5.309  -0.927  -3.636
   64   HD23  LEU  27          2HD2      LEU  27  -4.070  -1.798  -4.567
   65    H    SER  28           H        SER  28  -7.588   0.562  -5.874
   66    HA   SER  28           HA       SER  28  -8.602   1.587  -8.477
   67    HB2  SER  28           1HB      SER  28 -10.045   0.063  -7.244
   68    HB3  SER  28           2HB      SER  28  -9.917   1.058  -5.790
   69    HG   SER  28           HG       SER  28 -11.849   1.397  -6.962
   70    H    TRP  29           H        TRP  29  -9.397   3.729  -8.686
   71    HA   TRP  29           HA       TRP  29  -8.215   5.823  -7.054
   72    HB2  TRP  29           1HB      TRP  29 -10.251   5.735  -9.280
   73    HB3  TRP  29           2HB      TRP  29  -9.873   7.227  -8.428
   74    HD1  TRP  29           HD       TRP  29  -6.824   5.114  -8.973
   75    HE1  TRP  29           1HE      TRP  29  -5.415   6.017 -10.889
   76    HE3  TRP  29           3HE      TRP  29 -10.194   8.429 -10.942
   77    HZ2  TRP  29           2HZ      TRP  29  -5.641   8.055 -12.932
   78    HZ3  TRP  29           3HZ      TRP  29  -9.580   9.806 -12.913
   79    HH2  TRP  29           HH       TRP  29  -7.309   9.638 -13.909
   80    H    GLN  30           H        GLN  30 -10.725   3.733  -6.326
   81    HA   GLN  30           HA       GLN  30 -11.934   5.647  -4.368
   82    HB2  GLN  30           1HB      GLN  30 -12.812   2.815  -4.972
   83    HB3  GLN  30           2HB      GLN  30 -13.687   4.053  -4.076
   84    HG2  GLN  30           1HG      GLN  30 -13.803   5.413  -6.219
   85    HG3  GLN  30           2HG      GLN  30 -13.145   4.010  -7.075
   86   HE21  GLN  30          2HE2      GLN  30 -14.467   1.805  -6.347
   87   HE22  GLN  30          1HE2      GLN  30 -16.206   2.042  -6.475
   88    H    THR  31           H        THR  31  -9.319   3.462  -4.451
   89    HA   THR  31           HA       THR  31  -9.714   2.155  -1.899
   90    HB   THR  31           HB       THR  31  -7.155   2.592  -3.497
   91    HG1  THR  31           1HG      THR  31  -8.981   0.408  -3.390
   92   HG21  THR  31          3HG2      THR  31  -6.471   0.466  -2.296
   93   HG22  THR  31          1HG2      THR  31  -6.552   1.891  -1.260
   94   HG23  THR  31          2HG2      THR  31  -7.859   0.684  -1.218
   95    H    THR  32           H        THR  32  -8.962   2.646   0.082
   96    HA   THR  32           HA       THR  32  -7.505   5.206   0.570
   97    HB   THR  32           HB       THR  32  -8.715   5.385   2.700
   98    HG1  THR  32           1HG      THR  32 -10.585   3.988   2.925
   99   HG21  THR  32          3HG2      THR  32 -10.867   6.096   1.877
  100   HG22  THR  32          1HG2      THR  32  -9.644   6.498   0.659
  101   HG23  THR  32          2HG2      THR  32 -10.712   5.097   0.417
  102    H    GLN  33           H        GLN  33  -6.259   5.163   2.615
  103    HA   GLN  33           HA       GLN  33  -4.687   2.715   2.793
  104    HB2  GLN  33           1HB      GLN  33  -3.438   3.977   4.566
  105    HB3  GLN  33           2HB      GLN  33  -3.440   4.615   2.934
  106    HG2  GLN  33           1HG      GLN  33  -5.277   6.250   3.695
  107    HG3  GLN  33           2HG      GLN  33  -4.881   5.740   5.342
  108   HE21  GLN  33          2HE2      GLN  33  -3.430   7.241   6.278
  109   HE22  GLN  33          1HE2      GLN  33  -2.210   8.110   5.359
  110    H    GLU  34           H        GLU  34  -7.289   4.121   4.741
  111    HA   GLU  34           HA       GLU  34  -7.236   2.164   6.829
  112    HB2  GLU  34           1HB      GLU  34  -9.703   3.473   5.597
  113    HB3  GLU  34           2HB      GLU  34  -9.548   2.739   7.189
  114    HG2  GLU  34           1HG      GLU  34  -9.326   4.890   7.840
  115    HG3  GLU  34           2HG      GLU  34  -7.629   4.602   7.482
  116    H    GLY  35           H        GLY  35  -8.651   2.142   3.538
  117    HA2  GLY  35           1HA      GLY  35  -9.876  -0.459   3.655
  118    HA3  GLY  35           2HA      GLY  35  -9.443   0.463   2.196
  119    H    LEU  36           H        LEU  36  -6.564   0.627   2.732
  120    HA   LEU  36           HA       LEU  36  -5.662  -1.993   1.985
  121    HB2  LEU  36           1HB      LEU  36  -3.984   0.225   3.266
  122    HB3  LEU  36           2HB      LEU  36  -3.385  -1.209   2.469
  123    HG   LEU  36           HG       LEU  36  -4.706   1.184   1.185
  124   HD11  LEU  36          1HD1      LEU  36  -2.282   1.286   1.702
  125   HD12  LEU  36          2HD1      LEU  36  -2.027  -0.190   0.747
  126   HD13  LEU  36          3HD1      LEU  36  -2.584   1.290  -0.047
  127   HD21  LEU  36          3HD2      LEU  36  -4.453  -0.009  -0.985
  128   HD22  LEU  36          1HD2      LEU  36  -4.123  -1.512  -0.098
  129   HD23  LEU  36          2HD2      LEU  36  -5.699  -0.693   0.060
  130    H    ARG  37           H        ARG  37  -5.515  -0.388   5.240
  131    HA   ARG  37           HA       ARG  37  -4.491  -2.689   6.566
  132    HB2  ARG  37           1HB      ARG  37  -4.630  -0.504   7.650
  133    HB3  ARG  37           2HB      ARG  37  -6.397  -0.542   7.598
  134    HG2  ARG  37           1HG      ARG  37  -6.455  -2.472   9.129
  135    HG3  ARG  37           2HG      ARG  37  -4.689  -2.579   9.102
  136    HD2  ARG  37           1HD      ARG  37  -4.635  -0.227  10.028
  137    HD3  ARG  37           2HD      ARG  37  -6.401  -0.298  10.134
  138    HE   ARG  37           HE       ARG  37  -4.743  -2.362  11.552
  139   HH11  ARG  37          1HH1      ARG  37  -6.846   0.482  11.907
  140   HH12  ARG  37          2HH1      ARG  37  -7.186   0.118  13.573
  141   HH21  ARG  37          1HH2      ARG  37  -5.306  -2.809  13.647
  142   HH22  ARG  37          2HH2      ARG  37  -6.303  -1.696  14.554
  143    H    GLU  38           H        GLU  38  -7.864  -1.849   5.811
  144    HA   GLU  38           HA       GLU  38  -9.106  -4.013   7.067
  145    HB2  GLU  38           1HB      GLU  38  -9.995  -1.864   5.660
  146    HB3  GLU  38           2HB      GLU  38 -10.238  -3.107   4.431
  147    HG2  GLU  38           1HG      GLU  38 -11.501  -4.444   6.147
  148    HG3  GLU  38           2HG      GLU  38 -11.250  -3.118   7.294
  149    H    TYR  39           H        TYR  39  -7.505  -3.933   3.892
  150    HA   TYR  39           HA       TYR  39  -8.271  -6.690   3.203
  151    HB2  TYR  39           1HB      TYR  39  -8.122  -4.833   1.557
  152    HB3  TYR  39           2HB      TYR  39  -6.385  -4.746   1.827
  153    HD1  TYR  39           2HD      TYR  39  -9.118  -7.136   0.866
  154    HD2  TYR  39           1HD      TYR  39  -4.914  -6.206   0.642
  155    HE1  TYR  39           2HE      TYR  39  -8.757  -9.141  -0.552
  156    HE2  TYR  39           1HE      TYR  39  -4.543  -8.202  -0.776
  157    HH   TYR  39           HH       TYR  39  -7.231 -10.470  -1.593
  158    H    PHE  40           H        PHE  40  -5.425  -5.047   4.467
  159    HA   PHE  40           HA       PHE  40  -3.775  -7.452   4.139
  160    HB2  PHE  40           1HB      PHE  40  -3.196  -4.574   4.811
  161    HB3  PHE  40           2HB      PHE  40  -1.975  -5.787   5.050
  162    HD1  PHE  40           1HD      PHE  40  -1.763  -7.543   2.933
  163    HD2  PHE  40           2HD      PHE  40  -3.205  -3.495   2.688
  164    HE1  PHE  40           1HE      PHE  40  -1.381  -7.551   0.486
  165    HE2  PHE  40           2HE      PHE  40  -2.824  -3.504   0.247
  166    HZ   PHE  40           HZ       PHE  40  -1.928  -5.535  -0.867
  167    H    GLY  41           H        GLY  41  -5.523  -6.065   6.786
  168    HA2  GLY  41           1HA      GLY  41  -4.026  -7.111   8.958
  169    HA3  GLY  41           2HA      GLY  41  -5.749  -6.712   8.972
  170    H    GLN  42           H        GLN  42  -5.772  -8.916   6.644
  171    HA   GLN  42           HA       GLN  42  -6.317 -11.243   8.370
  172    HB2  GLN  42           1HB      GLN  42  -6.743 -12.342   6.068
  173    HB3  GLN  42           2HB      GLN  42  -7.889 -11.149   6.679
  174    HG2  GLN  42           1HG      GLN  42  -7.092  -9.460   5.204
  175    HG3  GLN  42           2HG      GLN  42  -5.683 -10.408   4.725
  176   HE21  GLN  42          2HE2      GLN  42  -6.958  -9.463   2.664
  177   HE22  GLN  42          1HE2      GLN  42  -8.004 -10.663   1.898
  178    H    PHE  43           H        PHE  43  -3.529 -10.032   6.698
  179    HA   PHE  43           HA       PHE  43  -2.186 -12.691   6.812
  180    HB2  PHE  43           1HB      PHE  43  -1.211 -10.066   5.635
  181    HB3  PHE  43           2HB      PHE  43  -0.487 -11.649   5.439
  182    HD1  PHE  43           2HD      PHE  43  -1.987 -13.506   4.296
  183    HD2  PHE  43           1HD      PHE  43  -2.798  -9.295   4.089
  184    HE1  PHE  43           2HE      PHE  43  -3.506 -13.895   2.372
  185    HE2  PHE  43           1HE      PHE  43  -4.308  -9.667   2.150
  186    HZ   PHE  43           HZ       PHE  43  -4.701 -11.983   1.327
  187    H    GLY  44           H        GLY  44  -2.098  -9.414   8.148
  188    HA2  GLY  44           1HA      GLY  44  -1.236 -10.177  10.713
  189    HA3  GLY  44           2HA      GLY  44   0.197  -9.637   9.851
  190    H    GLU  45           H        GLU  45  -1.046  -8.323  12.149
  191    HA   GLU  45           HA       GLU  45  -2.524  -6.018  11.323
  192    HB2  GLU  45           1HB      GLU  45  -2.460  -6.817  13.648
  193    HB3  GLU  45           2HB      GLU  45  -0.742  -6.428  13.755
  194    HG2  GLU  45           1HG      GLU  45  -2.136  -4.736  14.846
  195    HG3  GLU  45           2HG      GLU  45  -1.219  -4.036  13.524
  196    H    VAL  46           H        VAL  46  -1.853  -3.863  10.995
  197    HA   VAL  46           HA       VAL  46   0.800  -3.759   9.665
  198    HB   VAL  46           HB       VAL  46  -0.047  -2.127   8.200
  199   HG11  VAL  46          1HG1      VAL  46  -0.502  -4.518   7.663
  200   HG12  VAL  46          2HG1      VAL  46  -2.118  -4.357   8.390
  201   HG13  VAL  46          3HG1      VAL  46  -1.696  -3.418   6.953
  202   HG21  VAL  46          3HG2      VAL  46  -2.444  -1.463   8.141
  203   HG22  VAL  46          1HG2      VAL  46  -2.611  -2.136   9.781
  204   HG23  VAL  46          2HG2      VAL  46  -1.517  -0.768   9.479
  205    H    LYS  47           H        LYS  47   2.246  -2.335  10.093
  206    HA   LYS  47           HA       LYS  47   2.142  -0.741  12.569
  207    HB2  LYS  47           1HB      LYS  47   3.968  -2.343  11.949
  208    HB3  LYS  47           2HB      LYS  47   4.400  -1.306  10.587
  209    HG2  LYS  47           1HG      LYS  47   5.036   0.502  12.087
  210    HG3  LYS  47           2HG      LYS  47   4.347  -0.356  13.477
  211    HD2  LYS  47           1HD      LYS  47   6.036  -2.178  13.155
  212    HD3  LYS  47           2HD      LYS  47   6.758  -1.237  11.828
  213    HE2  LYS  47           1HE      LYS  47   7.167   0.648  13.408
  214    HE3  LYS  47           2HE      LYS  47   6.428  -0.288  14.715
  215    HZ1  LYS  47           3HZ      LYS  47   8.845  -0.451  14.767
  216    HZ2  LYS  47           1HZ      LYS  47   8.210  -1.925  14.465
  217    HZ3  LYS  47           2HZ      LYS  47   8.895  -1.061  13.253
  218    H    GLU  48           H        GLU  48   1.937  -0.230   9.156
  219    HA   GLU  48           HA       GLU  48   1.204   2.550   9.392
  220    HB2  GLU  48           1HB      GLU  48   3.651   2.843   9.470
  221    HB3  GLU  48           2HB      GLU  48   3.840   1.843   8.035
  222    HG2  GLU  48           1HG      GLU  48   2.646   3.533   6.675
  223    HG3  GLU  48           2HG      GLU  48   2.410   4.527   8.119
  224    H    CYS  49           H        CYS  49   0.082   3.194   7.519
  225    HA   CYS  49           HA       CYS  49   0.189   1.564   5.093
  226    HB2  CYS  49           1HB      CYS  49  -2.303   1.294   5.016
  227    HB3  CYS  49           2HB      CYS  49  -1.510   0.350   6.283
  228    HG   CYS  49           HG       CYS  49  -1.970   2.034   8.245
  229    H    LEU  50           H        LEU  50  -0.235   2.697   3.281
  230    HA   LEU  50           HA       LEU  50  -0.924   5.589   3.456
  231    HB2  LEU  50           1HB      LEU  50   1.607   4.284   2.405
  232    HB3  LEU  50           2HB      LEU  50   1.110   5.889   1.906
  233    HG   LEU  50           HG       LEU  50   1.796   5.114   4.768
  234   HD11  LEU  50          1HD1      LEU  50   3.740   5.069   3.248
  235   HD12  LEU  50          2HD1      LEU  50   3.331   6.689   2.643
  236   HD13  LEU  50          3HD1      LEU  50   3.837   6.466   4.333
  237   HD21  LEU  50          3HD2      LEU  50   1.802   7.588   5.133
  238   HD22  LEU  50          1HD2      LEU  50   1.182   7.823   3.482
  239   HD23  LEU  50          2HD2      LEU  50   0.192   6.999   4.710
  240    H    VAL  51           H        VAL  51  -1.879   6.402   1.682
  241    HA   VAL  51           HA       VAL  51  -1.640   4.994  -0.946
  242    HB   VAL  51           HB       VAL  51  -4.244   6.087   0.212
  243   HG11  VAL  51          1HG1      VAL  51  -4.056   6.789  -2.154
  244   HG12  VAL  51          2HG1      VAL  51  -3.640   5.128  -2.626
  245   HG13  VAL  51          3HG1      VAL  51  -5.254   5.506  -1.988
  246   HG21  VAL  51          3HG2      VAL  51  -5.108   3.819  -0.286
  247   HG22  VAL  51          1HG2      VAL  51  -3.498   3.320  -0.841
  248   HG23  VAL  51          2HG2      VAL  51  -3.766   3.748   0.862
  249    H    MET  52           H        MET  52  -0.972   6.347  -2.478
  250    HA   MET  52           HA       MET  52  -0.202   9.050  -1.612
  251    HB2  MET  52           1HB      MET  52   0.520   7.358  -4.031
  252    HB3  MET  52           2HB      MET  52   1.184   8.968  -3.685
  253    HG2  MET  52           1HG      MET  52   1.440   6.670  -1.720
  254    HG3  MET  52           2HG      MET  52   2.613   7.025  -2.964
  255    HE1  MET  52           3HE      MET  52   2.476   8.708   1.104
  256    HE2  MET  52           1HE      MET  52   1.004   8.098   0.307
  257    HE3  MET  52           2HE      MET  52   2.447   7.056   0.434
  258    H    ARG  53           H        ARG  53  -2.769   9.298  -1.699
  259    HA   ARG  53           HA       ARG  53  -3.745   9.961  -4.350
  260    HB2  ARG  53           1HB      ARG  53  -5.922  10.213  -3.357
  261    HB3  ARG  53           2HB      ARG  53  -5.171   8.742  -2.750
  262    HG2  ARG  53           1HG      ARG  53  -4.605   9.919  -0.623
  263    HG3  ARG  53           2HG      ARG  53  -5.417  11.377  -1.241
  264    HD2  ARG  53           1HD      ARG  53  -7.527  10.119  -1.466
  265    HD3  ARG  53           2HD      ARG  53  -6.733   8.658  -0.842
  266    HE   ARG  53           HE       ARG  53  -6.278  10.628   1.078
  267   HH11  ARG  53          1HH1      ARG  53  -9.178   9.105  -0.267
  268   HH12  ARG  53          2HH1      ARG  53 -10.093   9.361   1.190
  269   HH21  ARG  53          1HH2      ARG  53  -7.514  10.908   2.926
  270   HH22  ARG  53          2HH2      ARG  53  -9.156  10.348   2.974
  271    H    ASP  54           H        ASP  54  -4.685  11.880  -5.041
  272    HA   ASP  54           HA       ASP  54  -3.583  14.393  -3.886
  273    HB2  ASP  54           1HB      ASP  54  -5.138  13.759  -6.416
  274    HB3  ASP  54           2HB      ASP  54  -4.902  15.409  -5.845
  275    HA   PRO  55           HA       PRO  55  -7.343  14.630  -1.501
  276    HB2  PRO  55           1HB      PRO  55  -7.049  17.037  -0.256
  277    HB3  PRO  55           2HB      PRO  55  -5.995  15.634   0.096
  278    HG2  PRO  55           1HG      PRO  55  -5.439  17.944  -1.801
  279    HG3  PRO  55           2HG      PRO  55  -4.378  17.302  -0.504
  280    HD2  PRO  55           1HD      PRO  55  -4.097  16.527  -3.102
  281    HD3  PRO  55           2HD      PRO  55  -3.857  15.370  -1.757
  282    H    LEU  56           H        LEU  56  -6.686  16.888  -4.084
  283    HA   LEU  56           HA       LEU  56  -9.169  18.389  -3.905
  284    HB2  LEU  56           1HB      LEU  56  -7.086  18.021  -6.109
  285    HB3  LEU  56           2HB      LEU  56  -8.405  19.172  -6.169
  286    HG   LEU  56           HG       LEU  56  -6.127  19.196  -4.137
  287   HD11  LEU  56          1HD1      LEU  56  -5.424  19.789  -6.426
  288   HD12  LEU  56          2HD1      LEU  56  -6.706  21.017  -6.512
  289   HD13  LEU  56          3HD1      LEU  56  -5.370  21.198  -5.353
  290   HD21  LEU  56          3HD2      LEU  56  -6.990  21.460  -3.527
  291   HD22  LEU  56          1HD2      LEU  56  -8.416  21.175  -4.550
  292   HD23  LEU  56          2HD2      LEU  56  -8.124  20.175  -3.106
  293    H    THR  57           H        THR  57  -8.164  15.496  -5.584
  294    HA   THR  57           HA       THR  57 -10.800  15.228  -6.994
  295    HB   THR  57           HB       THR  57  -9.477  14.062  -8.742
  296    HG1  THR  57           1HG      THR  57  -7.153  14.293  -8.501
  297   HG21  THR  57          3HG2      THR  57  -8.393  15.980  -9.719
  298   HG22  THR  57          1HG2      THR  57  -9.844  16.555  -8.886
  299   HG23  THR  57          2HG2      THR  57  -8.245  16.790  -8.146
  300    H    LYS  58           H        LYS  58  -8.736  13.732  -4.733
  301    HA   LYS  58           HA       LYS  58  -8.598  11.773  -3.696
  302    HB2  LYS  58           1HB      LYS  58 -11.458  11.485  -4.678
  303    HB3  LYS  58           2HB      LYS  58 -10.662  10.242  -3.737
  304    HG2  LYS  58           1HG      LYS  58 -11.970  11.614  -2.290
  305    HG3  LYS  58           2HG      LYS  58 -10.264  11.771  -1.880
  306    HD2  LYS  58           1HD      LYS  58 -10.177  13.991  -2.889
  307    HD3  LYS  58           2HD      LYS  58 -11.830  13.810  -3.526
  308    HE2  LYS  58           1HE      LYS  58 -12.693  13.668  -1.203
  309    HE3  LYS  58           2HE      LYS  58 -11.044  13.794  -0.572
  310    HZ1  LYS  58           3HZ      LYS  58 -12.147  15.942  -0.535
  311    HZ2  LYS  58           1HZ      LYS  58 -10.894  16.001  -1.587
  312    HZ3  LYS  58           2HZ      LYS  58 -12.433  15.896  -2.143
  313    H    ARG  59           H        ARG  59  -8.133  11.972  -6.851
  314    HA   ARG  59           HA       ARG  59  -7.841   9.310  -7.860
  315    HB2  ARG  59           1HB      ARG  59  -6.140  11.815  -8.165
  316    HB3  ARG  59           2HB      ARG  59  -5.806  10.310  -9.032
  317    HG2  ARG  59           1HG      ARG  59  -8.093  10.418 -10.030
  318    HG3  ARG  59           2HG      ARG  59  -8.325  12.008  -9.312
  319    HD2  ARG  59           1HD      ARG  59  -6.040  11.308 -11.232
  320    HD3  ARG  59           2HD      ARG  59  -7.586  11.965 -11.743
  321    HE   ARG  59           HE       ARG  59  -7.055  14.053 -10.947
  322   HH11  ARG  59          1HH1      ARG  59  -4.346  11.917 -10.034
  323   HH12  ARG  59          2HH1      ARG  59  -3.545  13.245  -9.208
  324   HH21  ARG  59          1HH2      ARG  59  -5.762  15.688 -10.009
  325   HH22  ARG  59          2HH2      ARG  59  -4.275  15.203  -9.216
  326    H    SER  60           H        SER  60  -6.710   7.636  -7.036
  327    HA   SER  60           HA       SER  60  -4.846   8.017  -4.790
  328    HB2  SER  60           1HB      SER  60  -5.027   5.593  -4.601
  329    HB3  SER  60           2HB      SER  60  -6.645   6.285  -4.821
  330    HG   SER  60           HG       SER  60  -6.446   4.552  -6.207
  331    H    ARG  61           H        ARG  61  -4.388   8.002  -8.100
  332    HA   ARG  61           HA       ARG  61  -2.703   7.612  -9.554
  333    HB2  ARG  61           1HB      ARG  61  -0.865   7.304  -7.137
  334    HB3  ARG  61           2HB      ARG  61  -0.364   7.442  -8.815
  335    HG2  ARG  61           1HG      ARG  61  -1.287   9.687  -8.988
  336    HG3  ARG  61           2HG      ARG  61  -1.898   9.612  -7.324
  337    HD2  ARG  61           1HD      ARG  61   0.357   9.459  -6.416
  338    HD3  ARG  61           2HD      ARG  61   1.036   9.184  -8.022
  339    HE   ARG  61           HE       ARG  61   1.133  11.391  -8.404
  340   HH11  ARG  61          1HH1      ARG  61  -1.069  11.042  -5.627
  341   HH12  ARG  61          2HH1      ARG  61  -1.407  12.775  -5.633
  342   HH21  ARG  61          1HH2      ARG  61   0.601  13.616  -8.243
  343   HH22  ARG  61          2HH2      ARG  61  -0.561  14.107  -7.020
  344    H    GLY  62           H        GLY  62  -4.099   5.306  -7.775
  345    HA2  GLY  62           1HA      GLY  62  -4.327   3.043  -8.027
  346    HA3  GLY  62           2HA      GLY  62  -3.169   3.091  -9.376
  347    H    PHE  63           H        PHE  63  -2.047   4.354  -6.259
  348    HA   PHE  63           HA       PHE  63  -0.995   1.768  -5.472
  349    HB2  PHE  63           1HB      PHE  63   1.245   2.013  -5.884
  350    HB3  PHE  63           2HB      PHE  63   0.547   2.645  -7.345
  351    HD1  PHE  63           1HD      PHE  63   0.623   5.166  -7.773
  352    HD2  PHE  63           2HD      PHE  63   2.485   3.352  -4.333
  353    HE1  PHE  63           1HE      PHE  63   1.937   7.252  -7.372
  354    HE2  PHE  63           2HE      PHE  63   3.821   5.403  -3.984
  355    HZ   PHE  63           HZ       PHE  63   3.529   7.352  -5.438
  356    H    GLY  64           H        GLY  64   0.250   1.678  -3.618
  357    HA2  GLY  64           1HA      GLY  64   0.604   3.996  -1.853
  358    HA3  GLY  64           2HA      GLY  64  -0.595   2.837  -1.311
  359    H    PHE  65           H        PHE  65   0.756   2.524   0.526
  360    HA   PHE  65           HA       PHE  65   2.837   0.446   0.200
  361    HB2  PHE  65           1HB      PHE  65   3.297   3.151   1.513
  362    HB3  PHE  65           2HB      PHE  65   4.239   1.742   1.919
  363    HD1  PHE  65           2HD      PHE  65   3.549   4.234  -0.777
  364    HD2  PHE  65           1HD      PHE  65   5.902   0.819   0.465
  365    HE1  PHE  65           2HE      PHE  65   5.203   4.706  -2.537
  366    HE2  PHE  65           1HE      PHE  65   7.541   1.305  -1.326
  367    HZ   PHE  65           HZ       PHE  65   7.191   3.270  -2.830
  368    H    VAL  66           H        VAL  66   3.101  -0.854   2.015
  369    HA   VAL  66           HA       VAL  66   1.574  -0.221   4.490
  370    HB   VAL  66           HB       VAL  66   1.235  -2.825   2.953
  371   HG11  VAL  66          1HG1      VAL  66   1.430  -3.383   5.347
  372   HG12  VAL  66          2HG1      VAL  66   0.246  -2.118   5.751
  373   HG13  VAL  66          3HG1      VAL  66  -0.242  -3.551   4.820
  374   HG21  VAL  66          3HG2      VAL  66  -1.178  -2.266   3.054
  375   HG22  VAL  66          1HG2      VAL  66  -0.803  -0.741   3.879
  376   HG23  VAL  66          2HG2      VAL  66  -0.283  -1.010   2.206
  377    H    THR  67           H        THR  67   2.530  -0.853   6.303
  378    HA   THR  67           HA       THR  67   5.063  -2.467   6.210
  379    HB   THR  67           HB       THR  67   4.416  -0.381   8.323
  380    HG1  THR  67           1HG      THR  67   4.518   0.572   6.243
  381   HG21  THR  67          3HG2      THR  67   6.829  -0.410   8.690
  382   HG22  THR  67          1HG2      THR  67   6.203  -2.063   8.824
  383   HG23  THR  67          2HG2      THR  67   7.058  -1.553   7.351
  384    H    PHE  68           H        PHE  68   5.104  -4.178   7.629
  385    HA   PHE  68           HA       PHE  68   2.568  -4.739   9.112
  386    HB2  PHE  68           1HB      PHE  68   4.704  -6.547   7.952
  387    HB3  PHE  68           2HB      PHE  68   3.412  -7.105   9.006
  388    HD1  PHE  68           2HD      PHE  68   4.091  -5.566   5.671
  389    HD2  PHE  68           1HD      PHE  68   1.166  -7.415   8.244
  390    HE1  PHE  68           2HE      PHE  68   2.534  -5.784   3.750
  391    HE2  PHE  68           1HE      PHE  68  -0.387  -7.629   6.324
  392    HZ   PHE  68           HZ       PHE  68   0.296  -6.809   4.073
  393    H    MET  69           H        MET  69   2.574  -5.581  11.197
  394    HA   MET  69           HA       MET  69   4.644  -4.706  13.017
  395    HB2  MET  69           1HB      MET  69   2.274  -6.589  13.343
  396    HB3  MET  69           2HB      MET  69   3.318  -6.090  14.675
  397    HG2  MET  69           1HG      MET  69   1.694  -4.179  12.950
  398    HG3  MET  69           2HG      MET  69   1.234  -4.778  14.540
  399    HE1  MET  69           3HE      MET  69   1.934  -1.103  15.419
  400    HE2  MET  69           1HE      MET  69   0.994  -1.891  14.129
  401    HE3  MET  69           2HE      MET  69   0.923  -2.517  15.788
  402    H    ASP  70           H        ASP  70   4.483  -7.502  11.041
  403    HA   ASP  70           HA       ASP  70   7.065  -8.387  12.011
  404    HB2  ASP  70           1HB      ASP  70   5.287  -9.612  13.465
  405    HB3  ASP  70           2HB      ASP  70   4.874 -10.482  11.985
  406    H    GLN  71           H        GLN  71   8.102  -9.830  10.537
  407    HA   GLN  71           HA       GLN  71   7.527  -9.429   7.756
  408    HB2  GLN  71           1HB      GLN  71   9.774  -9.836   8.848
  409    HB3  GLN  71           2HB      GLN  71   9.280 -11.496   9.139
  410    HG2  GLN  71           1HG      GLN  71  10.737 -11.374   7.188
  411    HG3  GLN  71           2HG      GLN  71   9.139 -11.897   6.692
  412   HE21  GLN  71          2HE2      GLN  71  10.188 -11.205   4.523
  413   HE22  GLN  71          1HE2      GLN  71   9.965  -9.520   4.077
  414    H    ALA  72           H        ALA  72   6.504 -11.899  10.056
  415    HA   ALA  72           HA       ALA  72   5.735 -13.961   8.282
  416    HB1  ALA  72           1HB      ALA  72   5.851 -14.132  10.758
  417    HB2  ALA  72           2HB      ALA  72   4.429 -13.062  10.887
  418    HB3  ALA  72           3HB      ALA  72   4.278 -14.665  10.135
  419    H    GLY  73           H        GLY  73   4.189 -10.831   8.696
  420    HA2  GLY  73           1HA      GLY  73   1.734 -11.676   7.272
  421    HA3  GLY  73           2HA      GLY  73   2.172 -10.023   7.776
  422    H    VAL  74           H        VAL  74   4.782 -10.046   6.555
  423    HA   VAL  74           HA       VAL  74   4.171  -9.258   3.838
  424    HB   VAL  74           HB       VAL  74   6.831  -9.799   5.215
  425   HG11  VAL  74          1HG1      VAL  74   7.252 -10.154   2.866
  426   HG12  VAL  74          2HG1      VAL  74   6.364  -8.682   2.425
  427   HG13  VAL  74          3HG1      VAL  74   7.893  -8.573   3.315
  428   HG21  VAL  74          3HG2      VAL  74   7.059  -7.345   5.197
  429   HG22  VAL  74          1HG2      VAL  74   5.451  -7.198   4.461
  430   HG23  VAL  74          2HG2      VAL  74   5.632  -7.852   6.104
  431    H    ASP  75           H        ASP  75   5.775 -12.143   5.280
  432    HA   ASP  75           HA       ASP  75   6.355 -13.604   2.975
  433    HB2  ASP  75           1HB      ASP  75   7.022 -14.144   5.321
  434    HB3  ASP  75           2HB      ASP  75   5.370 -14.625   5.677
  435    H    LYS  76           H        LYS  76   3.269 -13.641   4.827
  436    HA   LYS  76           HA       LYS  76   1.976 -15.579   3.152
  437    HB2  LYS  76           1HB      LYS  76   0.895 -13.438   5.018
  438    HB3  LYS  76           2HB      LYS  76  -0.104 -14.684   4.249
  439    HG2  LYS  76           1HG      LYS  76   1.062 -16.466   5.374
  440    HG3  LYS  76           2HG      LYS  76   2.281 -15.344   6.016
  441    HD2  LYS  76           1HD      LYS  76   0.516 -14.163   7.310
  442    HD3  LYS  76           2HD      LYS  76  -0.718 -15.227   6.625
  443    HE2  LYS  76           1HE      LYS  76  -0.195 -15.949   8.863
  444    HE3  LYS  76           2HE      LYS  76   0.333 -17.179   7.706
  445    HZ1  LYS  76           3HZ      LYS  76   1.992 -16.664   9.478
  446    HZ2  LYS  76           1HZ      LYS  76   2.592 -16.422   7.973
  447    HZ3  LYS  76           2HZ      LYS  76   2.144 -15.140   8.873
  448    H    VAL  77           H        VAL  77   2.167 -12.043   2.870
  449    HA   VAL  77           HA       VAL  77   0.116 -11.873   0.843
  450    HB   VAL  77           HB       VAL  77   2.357  -9.950   1.536
  451   HG11  VAL  77          1HG1      VAL  77   1.707  -9.507  -0.814
  452   HG12  VAL  77          2HG1      VAL  77  -0.004  -9.482  -0.342
  453   HG13  VAL  77          3HG1      VAL  77   1.108  -8.234   0.251
  454   HG21  VAL  77          3HG2      VAL  77   0.549  -8.649   2.583
  455   HG22  VAL  77          1HG2      VAL  77  -0.663  -9.815   2.009
  456   HG23  VAL  77          2HG2      VAL  77   0.508 -10.289   3.242
  457    H    LEU  78           H        LEU  78   3.681 -12.285   0.709
  458    HA   LEU  78           HA       LEU  78   3.875 -12.240  -2.182
  459    HB2  LEU  78           1HB      LEU  78   5.638 -13.580  -0.097
  460    HB3  LEU  78           2HB      LEU  78   6.110 -13.207  -1.751
  461    HG   LEU  78           HG       LEU  78   5.321 -11.063   0.272
  462   HD11  LEU  78          1HD1      LEU  78   7.184 -12.404   1.087
  463   HD12  LEU  78          2HD1      LEU  78   8.043 -12.216  -0.455
  464   HD13  LEU  78          3HD1      LEU  78   7.772 -10.796   0.592
  465   HD21  LEU  78          3HD2      LEU  78   6.532  -9.556  -1.248
  466   HD22  LEU  78          1HD2      LEU  78   6.812 -10.898  -2.380
  467   HD23  LEU  78          2HD2      LEU  78   5.159 -10.317  -2.056
  468    H    ALA  79           H        ALA  79   3.473 -14.834   0.205
  469    HA   ALA  79           HA       ALA  79   3.765 -16.982  -1.589
  470    HB1  ALA  79           1HB      ALA  79   4.006 -17.148   0.857
  471    HB2  ALA  79           2HB      ALA  79   2.260 -16.869   1.062
  472    HB3  ALA  79           3HB      ALA  79   2.841 -18.341   0.259
  473    H    GLN  80           H        GLN  80   0.998 -14.903  -1.306
  474    HA   GLN  80           HA       GLN  80  -0.892 -16.894  -2.428
  475    HB2  GLN  80           1HB      GLN  80  -1.573 -15.467  -0.558
  476    HB3  GLN  80           2HB      GLN  80  -1.286 -14.021  -1.529
  477    HG2  GLN  80           1HG      GLN  80  -3.061 -14.638  -3.078
  478    HG3  GLN  80           2HG      GLN  80  -3.253 -16.218  -2.320
  479   HE21  GLN  80          2HE2      GLN  80  -4.845 -13.380  -2.584
  480   HE22  GLN  80          1HE2      GLN  80  -5.643 -13.379  -1.009
  481    H    SER  81           H        SER  81  -1.832 -16.789  -4.453
  482    HA   SER  81           HA       SER  81  -0.059 -15.855  -6.521
  483    HB2  SER  81           1HB      SER  81  -1.826 -16.982  -7.947
  484    HB3  SER  81           2HB      SER  81  -1.055 -17.999  -6.712
  485    HG   SER  81           HG       SER  81  -3.359 -18.257  -6.766
  486    H    ARG  82           H        ARG  82  -3.045 -14.617  -5.267
  487    HA   ARG  82           HA       ARG  82  -3.001 -12.292  -7.091
  488    HB2  ARG  82           1HB      ARG  82  -4.284 -13.986  -8.353
  489    HB3  ARG  82           2HB      ARG  82  -5.391 -14.191  -6.988
  490    HG2  ARG  82           1HG      ARG  82  -6.167 -11.868  -7.225
  491    HG3  ARG  82           2HG      ARG  82  -4.956 -11.568  -8.485
  492    HD2  ARG  82           1HD      ARG  82  -6.096 -13.190  -9.954
  493    HD3  ARG  82           2HD      ARG  82  -7.281 -13.531  -8.691
  494    HE   ARG  82           HE       ARG  82  -7.010 -11.049 -10.307
  495   HH11  ARG  82          1HH1      ARG  82  -8.909 -12.668  -7.773
  496   HH12  ARG  82          2HH1      ARG  82 -10.119 -11.403  -7.788
  497   HH21  ARG  82          1HH2      ARG  82  -8.570  -9.487 -10.213
  498   HH22  ARG  82          2HH2      ARG  82 -10.003  -9.721  -9.239
  499    H    HIS  83           H        HIS  83  -4.084 -10.505  -6.346
  500    HA   HIS  83           HA       HIS  83  -5.622 -10.652  -3.810
  501    HB2  HIS  83           1HB      HIS  83  -3.312  -8.776  -4.451
  502    HB3  HIS  83           2HB      HIS  83  -4.451  -8.515  -3.128
  503    HD1  HIS  83           1HD      HIS  83  -4.396 -10.480  -1.146
  504    HD2  HIS  83           2HD      HIS  83  -1.307 -10.423  -3.999
  505    HE1  HIS  83           1HE      HIS  83  -2.483 -11.879  -0.173
  506    H    GLU  84           H        GLU  84  -7.137  -8.894  -3.536
  507    HA   GLU  84           HA       GLU  84  -7.792  -7.218  -5.855
  508    HB2  GLU  84           1HB      GLU  84  -8.599  -9.358  -6.598
  509    HB3  GLU  84           2HB      GLU  84  -9.427  -9.652  -5.063
  510    HG2  GLU  84           1HG      GLU  84 -11.071  -7.946  -5.527
  511    HG3  GLU  84           2HG      GLU  84 -10.123  -7.321  -6.887
  512    H    LEU  85           H        LEU  85  -8.742  -5.437  -5.237
  513    HA   LEU  85           HA       LEU  85 -10.348  -5.228  -2.767
  514    HB2  LEU  85           1HB      LEU  85  -7.991  -4.975  -2.057
  515    HB3  LEU  85           2HB      LEU  85  -7.745  -3.731  -3.289
  516    HG   LEU  85           HG       LEU  85  -9.366  -2.253  -2.088
  517   HD11  LEU  85          1HD1      LEU  85 -10.810  -3.790  -0.917
  518   HD12  LEU  85          2HD1      LEU  85  -9.437  -4.585  -0.127
  519   HD13  LEU  85          3HD1      LEU  85  -9.887  -2.935   0.335
  520   HD21  LEU  85          3HD2      LEU  85  -7.862  -1.757  -0.198
  521   HD22  LEU  85          1HD2      LEU  85  -7.074  -3.338  -0.389
  522   HD23  LEU  85          2HD2      LEU  85  -6.940  -2.113  -1.670
  523    H    ASP  86           H        ASP  86 -12.003  -3.871  -3.105
  524    HA   ASP  86           HA       ASP  86 -13.556  -2.700  -4.225
  525    HB2  ASP  86           1HB      ASP  86 -11.930  -0.855  -3.693
  526    HB3  ASP  86           2HB      ASP  86 -11.302  -0.994  -5.335
  527    H    SER  87           H        SER  87 -12.674  -5.070  -5.464
  528    HA   SER  87           HA       SER  87 -12.897  -6.326  -7.348
  529    HB2  SER  87           1HB      SER  87 -14.524  -4.008  -8.438
  530    HB3  SER  87           2HB      SER  87 -14.501  -5.670  -9.039
  531    HG   SER  87           HG       SER  87 -16.279  -5.269  -7.613
  532    H    LYS  88           H        LYS  88 -10.612  -4.351  -7.173
  533    HA   LYS  88           HA       LYS  88  -9.687  -4.518 -10.022
  534    HB2  LYS  88           1HB      LYS  88  -9.240  -2.502  -7.802
  535    HB3  LYS  88           2HB      LYS  88  -7.937  -2.789  -8.939
  536    HG2  LYS  88           1HG      LYS  88 -10.728  -2.174  -9.956
  537    HG3  LYS  88           2HG      LYS  88  -9.644  -0.879  -9.413
  538    HD2  LYS  88           1HD      LYS  88  -7.916  -1.599 -11.007
  539    HD3  LYS  88           2HD      LYS  88  -8.969  -2.902 -11.596
  540    HE2  LYS  88           1HE      LYS  88 -10.617  -1.284 -12.397
  541    HE3  LYS  88           2HE      LYS  88  -9.730   0.051 -11.656
  542    HZ1  LYS  88           3HZ      LYS  88  -9.192  -0.051 -13.988
  543    HZ2  LYS  88           1HZ      LYS  88  -7.847  -0.509 -13.162
  544    HZ3  LYS  88           2HZ      LYS  88  -8.771  -1.629 -13.905
  545    H    THR  89           H        THR  89  -8.019  -5.856 -10.395
  546    HA   THR  89           HA       THR  89  -6.848  -7.556  -8.366
  547    HB   THR  89           HB       THR  89  -5.762  -6.953 -11.150
  548    HG1  THR  89           1HG      THR  89  -7.110  -8.478 -11.885
  549   HG21  THR  89          3HG2      THR  89  -4.910  -9.303 -10.938
  550   HG22  THR  89          1HG2      THR  89  -4.207  -8.224  -9.725
  551   HG23  THR  89          2HG2      THR  89  -5.504  -9.341  -9.259
  552    H    ILE  90           H        ILE  90  -5.339  -6.943  -6.906
  553    HA   ILE  90           HA       ILE  90  -3.625  -4.565  -7.536
  554    HB   ILE  90           HB       ILE  90  -3.298  -4.196  -5.220
  555   HG12  ILE  90          1HG1      ILE  90  -5.066  -6.565  -4.570
  556   HG13  ILE  90          2HG1      ILE  90  -3.303  -6.493  -4.392
  557   HG21  ILE  90          1HG2      ILE  90  -5.365  -3.289  -6.369
  558   HG22  ILE  90          2HG2      ILE  90  -6.289  -4.643  -5.688
  559   HG23  ILE  90          3HG2      ILE  90  -5.564  -3.451  -4.621
  560   HD11  ILE  90          3HD1      ILE  90  -4.175  -6.060  -2.244
  561   HD12  ILE  90          1HD1      ILE  90  -3.618  -4.490  -2.872
  562   HD13  ILE  90          2HD1      ILE  90  -5.355  -4.889  -2.861
  563    H    ASP  91           H        ASP  91  -1.443  -4.584  -6.879
  564    HA   ASP  91           HA       ASP  91  -0.143  -7.280  -7.035
  565    HB2  ASP  91           1HB      ASP  91  -0.277  -6.250  -9.238
  566    HB3  ASP  91           2HB      ASP  91   0.485  -4.784  -8.618
  567    HA   PRO  92           HA       PRO  92   1.867  -4.978  -3.634
  568    HB2  PRO  92           1HB      PRO  92   1.412  -6.758  -1.597
  569    HB3  PRO  92           2HB      PRO  92   0.275  -5.485  -2.103
  570    HG2  PRO  92           1HG      PRO  92   0.044  -8.407  -2.554
  571    HG3  PRO  92           2HG      PRO  92  -1.226  -7.131  -2.546
  572    HD2  PRO  92           1HD      PRO  92   0.082  -8.326  -4.817
  573    HD3  PRO  92           2HD      PRO  92  -1.176  -7.068  -4.772
  574    H    LYS  93           H        LYS  93   3.941  -5.184  -3.031
  575    HA   LYS  93           HA       LYS  93   5.472  -7.687  -3.323
  576    HB2  LYS  93           1HB      LYS  93   6.875  -6.779  -5.134
  577    HB3  LYS  93           2HB      LYS  93   5.185  -6.883  -5.627
  578    HG2  LYS  93           1HG      LYS  93   4.923  -4.436  -5.111
  579    HG3  LYS  93           2HG      LYS  93   6.632  -4.365  -4.692
  580    HD2  LYS  93           1HD      LYS  93   6.524  -3.479  -6.823
  581    HD3  LYS  93           2HD      LYS  93   7.136  -5.105  -7.101
  582    HE2  LYS  93           1HE      LYS  93   4.163  -4.405  -7.308
  583    HE3  LYS  93           2HE      LYS  93   5.269  -4.087  -8.640
  584    HZ1  LYS  93           3HZ      LYS  93   4.192  -6.192  -8.917
  585    HZ2  LYS  93           1HZ      LYS  93   5.801  -6.453  -8.713
  586    HZ3  LYS  93           2HZ      LYS  93   4.737  -6.763  -7.494
  587    H    VAL  94           H        VAL  94   7.819  -7.346  -2.819
  588    HA   VAL  94           HA       VAL  94   8.046  -5.988  -0.306
  589    HB   VAL  94           HB       VAL  94  10.307  -7.062  -2.042
  590   HG11  VAL  94          1HG1      VAL  94  11.203  -5.590  -0.298
  591   HG12  VAL  94          2HG1      VAL  94  10.203  -6.388   0.939
  592   HG13  VAL  94          3HG1      VAL  94  11.529  -7.264   0.139
  593   HG21  VAL  94          3HG2      VAL  94  10.156  -9.064  -0.532
  594   HG22  VAL  94          1HG2      VAL  94   8.663  -8.392   0.159
  595   HG23  VAL  94          2HG2      VAL  94   8.739  -8.863  -1.557
  596    H    ALA  95           H        ALA  95   8.825  -4.025   0.285
  597    HA   ALA  95           HA       ALA  95   9.053  -1.935  -1.715
  598    HB1  ALA  95           1HB      ALA  95   7.983  -1.591   0.481
  599    HB2  ALA  95           2HB      ALA  95   9.529  -1.925   1.293
  600    HB3  ALA  95           3HB      ALA  95   9.356  -0.486   0.263
  601    H    PHE  96           H        PHE  96  10.875  -0.976  -2.555
  602    HA   PHE  96           HA       PHE  96  13.147  -2.420  -2.883
  603    HB2  PHE  96           1HB      PHE  96  12.944   0.599  -2.997
  604    HB3  PHE  96           2HB      PHE  96  14.259  -0.330  -3.678
  605    HD1  PHE  96           2HD      PHE  96  12.745  -2.608  -5.017
  606    HD2  PHE  96           1HD      PHE  96  12.075   1.660  -4.932
  607    HE1  PHE  96           2HE      PHE  96  11.652  -2.729  -7.230
  608    HE2  PHE  96           1HE      PHE  96  11.006   1.530  -7.159
  609    HZ   PHE  96           HZ       PHE  96  10.781  -0.664  -8.312
  610    HA   PRO  97           HA       PRO  97  15.539  -1.816   0.897
  611    HB2  PRO  97           1HB      PRO  97  17.631  -3.450   0.375
  612    HB3  PRO  97           2HB      PRO  97  15.972  -4.099   0.540
  613    HG2  PRO  97           1HG      PRO  97  17.436  -3.384  -2.029
  614    HG3  PRO  97           2HG      PRO  97  16.608  -4.924  -1.625
  615    HD2  PRO  97           1HD      PRO  97  15.383  -2.901  -3.032
  616    HD3  PRO  97           2HD      PRO  97  14.485  -3.968  -1.908
  617    H    ARG  98           H        ARG  98  17.974  -1.356   1.399
  618    HA   ARG  98           HA       ARG  98  19.307   0.416  -0.584
  619    HB2  ARG  98           1HB      ARG  98  18.649   1.130   2.308
  620    HB3  ARG  98           2HB      ARG  98  19.815   1.996   1.305
  621    HG2  ARG  98           1HG      ARG  98  18.007   2.507  -0.341
  622    HG3  ARG  98           2HG      ARG  98  16.826   1.755   0.744
  623    HD2  ARG  98           1HD      ARG  98  18.614   4.119   1.468
  624    HD3  ARG  98           2HD      ARG  98  16.950   4.264   0.920
  625    HE   ARG  98           HE       ARG  98  17.899   3.322   3.559
  626   HH11  ARG  98          1HH1      ARG  98  15.034   3.585   1.484
  627   HH12  ARG  98          2HH1      ARG  98  13.954   3.449   2.840
  628   HH21  ARG  98          1HH2      ARG  98  16.520   3.159   5.186
  629   HH22  ARG  98          2HH2      ARG  98  14.784   3.210   4.946
  630    H    ARG  99           H        ARG  99  21.490   0.311  -0.553
  631    HA   ARG  99           HA       ARG  99  22.889  -1.642   1.140
  632    HB2  ARG  99           1HB      ARG  99  23.493  -1.310  -1.250
  633    HB3  ARG  99           2HB      ARG  99  23.923   0.363  -0.913
  634    HG2  ARG  99           1HG      ARG  99  25.935  -0.938  -1.043
  635    HG3  ARG  99           2HG      ARG  99  25.729  -0.434   0.637
  636    HD2  ARG  99           1HD      ARG  99  24.856  -2.689   1.205
  637    HD3  ARG  99           2HD      ARG  99  25.006  -3.174  -0.498
  638    HE   ARG  99           HE       ARG  99  27.523  -2.204   0.401
  639   HH11  ARG  99          1HH1      ARG  99  25.458  -5.030   0.934
  640   HH12  ARG  99          2HH1      ARG  99  26.807  -6.051   1.334
  641   HH21  ARG  99          1HH2      ARG  99  29.214  -3.577   0.926
  642   HH22  ARG  99          2HH2      ARG  99  28.901  -5.239   1.328
  643    H    ALA 100           H        ALA 100  23.295  -1.120   3.171
  644    HA   ALA 100           HA       ALA 100  23.641  -0.020   5.129
  645    HB1  ALA 100           1HB      ALA 100  25.793   0.652   4.017
  646    HB2  ALA 100           2HB      ALA 100  25.023   2.179   3.532
  647    HB3  ALA 100           3HB      ALA 100  25.230   1.786   5.248
  648    H    GLN 101           H        GLN 101  23.422   2.656   5.931
  649    HA   GLN 101           HA       GLN 101  20.775   3.588   4.982
  650    HB2  GLN 101           1HB      GLN 101  21.504   2.884   7.863
  651    HB3  GLN 101           2HB      GLN 101  20.073   3.784   7.398
  652    HG2  GLN 101           1HG      GLN 101  20.682   0.894   6.648
  653    HG3  GLN 101           2HG      GLN 101  19.553   1.433   7.875
  654   HE21  GLN 101          2HE2      GLN 101  18.672  -0.284   5.850
  655   HE22  GLN 101          1HE2      GLN 101  17.581   0.611   4.808
  656    HA   PRO 102           HA       PRO 102  22.767   7.509   5.555
  657    HB2  PRO 102           1HB      PRO 102  20.665   9.243   5.656
  658    HB3  PRO 102           2HB      PRO 102  21.096   8.335   4.174
  659    HG2  PRO 102           1HG      PRO 102  18.987   7.624   6.241
  660    HG3  PRO 102           2HG      PRO 102  18.811   7.683   4.457
  661    HD2  PRO 102           1HD      PRO 102  19.303   5.357   5.788
  662    HD3  PRO 102           2HD      PRO 102  20.016   5.679   4.178
  663    H    LYS 103           H        LYS 103  23.340   9.025   7.104
  664    HA   LYS 103           HA       LYS 103  22.039   9.290   9.696
  665    HB2  LYS 103           1HB      LYS 103  23.238   7.107   9.919
  666    HB3  LYS 103           2HB      LYS 103  24.761   7.922   9.545
  667    HG2  LYS 103           1HG      LYS 103  24.507   9.333  11.571
  668    HG3  LYS 103           2HG      LYS 103  22.940   8.569  11.912
  669    HD2  LYS 103           1HD      LYS 103  24.066   6.372  12.158
  670    HD3  LYS 103           2HD      LYS 103  25.633   7.134  11.806
  671    HE2  LYS 103           1HE      LYS 103  25.352   8.612  13.785
  672    HE3  LYS 103           2HE      LYS 103  23.794   7.852  14.136
  673    HZ1  LYS 103           3HZ      LYS 103  25.575   6.878  15.467
  674    HZ2  LYS 103           1HZ      LYS 103  24.974   5.743  14.462
  675    HZ3  LYS 103           2HZ      LYS 103  26.414   6.446  14.138
  676    H5'    G 104           H5'        G 104  -4.272  -0.330 -11.712
  677   H5''    G 104          H5"         G 104  -5.734   0.560 -11.267
  678    H4'    G 104           H4'        G 104  -4.203   0.945 -13.881
  679    H3'    G 104           H3'        G 104  -3.230   1.778 -11.450
  680    H2'    G 104           H2'        G 104  -5.139   2.908 -10.683
  681   HO2'    G 104          HO2         G 104  -3.491   4.682 -12.105
  682    H1'    G 104           H1'        G 104  -5.684   4.139 -13.379
  683    H8     G 104           8H         G 104  -7.305   2.246 -10.379
  684    H1     G 104           1H         G 104 -11.171   6.252 -13.616
  685    H21    G 104           1H2        G 104 -10.033   7.085 -15.376
  686    H22    G 104           2H2        G 104  -8.372   6.588 -15.646
  687   HO5'    G 104          H5T         G 104  -5.361  -1.253 -13.458
  688    H5'    U 105           H5'        U 105  -1.355   2.780 -10.583
  689   H5''    U 105          H5"         U 105  -0.216   3.714 -11.551
  690    H4'    U 105           H4'        U 105   0.734   2.895  -9.442
  691    H3'    U 105           H3'        U 105   2.075   2.967 -11.810
  692    H2'    U 105           H2'        U 105   1.529   0.721 -12.392
  693   HO2'    U 105          HO2         U 105   4.119   1.013 -11.543
  694    H1'    U 105           H1'        U 105   2.262  -0.066  -9.564
  695    H3     U 105           3H         U 105   1.837  -4.459 -10.626
  696    H5     U 105           5H         U 105  -1.397  -2.712 -12.638
  697    H6     U 105           6H         U 105  -0.670  -0.525 -11.833
  698    H5'    A 106           H5'        A 106   3.941   3.992  -7.525
  699   H5''    A 106          H5"         A 106   4.352   5.330  -8.590
  700    H4'    A 106           H4'        A 106   5.401   5.742  -6.515
  701    H3'    A 106           H3'        A 106   6.874   5.744  -8.840
  702    H2'    A 106           H2'        A 106   7.695   3.547  -8.639
  703   HO2'    A 106          HO2         A 106   9.508   5.373  -7.510
  704    H1'    A 106           H1'        A 106   8.236   3.954  -5.700
  705    H8     A 106           8H         A 106   6.852   1.412  -8.330
  706    H61    A 106           1H6        A 106   9.156  -2.739  -4.212
  707    H62    A 106           2H6        A 106   8.443  -2.613  -5.820
  708    H2     A 106           2H         A 106   9.711   1.195  -2.561
  709    H5'    G 107           H5'        G 107   8.220   8.315  -4.459
  710   H5''    G 107          H5"         G 107   7.622   6.672  -4.213
  711    H4'    G 107           H4'        G 107   5.898   8.912  -3.182
  712    H3'    G 107           H3'        G 107   8.638   8.234  -2.110
  713    H2'    G 107           H2'        G 107   7.805   8.414   0.080
  714   HO2'    G 107          HO2         G 107   6.609  10.477  -0.547
  715    H1'    G 107           H1'        G 107   5.167   7.543  -0.479
  716    H8     G 107           8H         G 107   5.348   5.992   1.582
  717    H1     G 107           1H         G 107  10.769   3.247  -0.576
  718    H21    G 107           1H2        G 107  11.414   4.295  -2.473
  719    H22    G 107           2H2        G 107  10.460   5.633  -3.084
  720    H5'    U 108           H5'        U 108   9.901  12.429   0.742
  721   H5''    U 108          H5"         U 108  11.110  11.208   0.336
  722    H4'    U 108           H4'        U 108  10.925  11.284   2.694
  723    H3'    U 108           H3'        U 108  10.347   8.834   1.319
  724   HO3'    U 108          H3T         U 108  11.062   8.114   3.577
  725    H2'    U 108           H2'        U 108   8.120   8.788   2.095
  726   HO2'    U 108          HO2         U 108   9.010   6.940   3.132
  727    H1'    U 108           H1'        U 108   9.122  10.156   4.601
  728    H3     U 108           3H         U 108   5.094   9.976   6.677
  729    H5     U 108           5H         U 108   4.017  10.422   2.657
  730    H6     U 108           6H         U 108   6.390  10.455   2.065
  Start of MODEL    7
    1    H    CYS  20           1H       CYS  20  10.514  -4.157   6.494
    2    HA   CYS  20           HA       CYS  20   9.168  -6.137   6.229
    3    HB2  CYS  20           1HB      CYS  20   7.916  -5.297   8.894
    4    HB3  CYS  20           2HB      CYS  20   7.394  -6.636   7.883
    5    HG   CYS  20           HG       CYS  20   9.687  -7.950   7.940
    6    H    LYS  21           H        LYS  21   8.817  -4.516   4.435
    7    HA   LYS  21           HA       LYS  21   6.198  -3.164   4.685
    8    HB2  LYS  21           1HB      LYS  21   7.979  -1.598   5.525
    9    HB3  LYS  21           2HB      LYS  21   8.733  -1.644   3.929
   10    HG2  LYS  21           1HG      LYS  21   6.732  -0.642   2.912
   11    HG3  LYS  21           2HG      LYS  21   5.844  -0.805   4.431
   12    HD2  LYS  21           1HD      LYS  21   7.439   0.796   5.501
   13    HD3  LYS  21           2HD      LYS  21   8.245   0.999   3.930
   14    HE2  LYS  21           1HE      LYS  21   6.206   1.827   2.908
   15    HE3  LYS  21           2HE      LYS  21   5.246   1.427   4.350
   16    HZ1  LYS  21           3HZ      LYS  21   5.985   3.822   4.020
   17    HZ2  LYS  21           1HZ      LYS  21   6.178   3.189   5.522
   18    HZ3  LYS  21           2HZ      LYS  21   7.471   3.345   4.471
   19    H    MET  22           H        MET  22   5.146  -2.640   2.851
   20    HA   MET  22           HA       MET  22   6.187  -3.669   0.255
   21    HB2  MET  22           1HB      MET  22   3.500  -4.310   1.543
   22    HB3  MET  22           2HB      MET  22   4.006  -4.774  -0.085
   23    HG2  MET  22           1HG      MET  22   5.988  -5.979   0.982
   24    HG3  MET  22           2HG      MET  22   5.258  -5.635   2.544
   25    HE1  MET  22           3HE      MET  22   4.002  -8.681  -0.613
   26    HE2  MET  22           1HE      MET  22   3.836  -6.955  -1.006
   27    HE3  MET  22           2HE      MET  22   5.426  -7.625  -0.572
   28    H    PHE  23           H        PHE  23   5.593  -2.659  -1.481
   29    HA   PHE  23           HA       PHE  23   3.951  -0.179  -1.451
   30    HB2  PHE  23           1HB      PHE  23   5.980   0.058  -2.677
   31    HB3  PHE  23           2HB      PHE  23   5.847  -1.541  -3.395
   32    HD1  PHE  23           2HD      PHE  23   4.248  -1.994  -5.237
   33    HD2  PHE  23           1HD      PHE  23   4.836   1.982  -3.699
   34    HE1  PHE  23           2HE      PHE  23   3.197  -1.061  -7.277
   35    HE2  PHE  23           1HE      PHE  23   3.799   2.902  -5.749
   36    HZ   PHE  23           HZ       PHE  23   2.973   1.406  -7.536
   37    H    ILE  24           H        ILE  24   1.925  -0.188  -2.358
   38    HA   ILE  24           HA       ILE  24   0.790  -2.864  -3.147
   39    HB   ILE  24           HB       ILE  24  -0.747  -0.615  -1.824
   40   HG12  ILE  24          1HG1      ILE  24   0.887  -1.142  -0.157
   41   HG13  ILE  24          2HG1      ILE  24  -0.681  -1.766   0.299
   42   HG21  ILE  24          1HG2      ILE  24  -1.992  -2.333  -3.115
   43   HG22  ILE  24          2HG2      ILE  24  -1.310  -3.600  -2.090
   44   HG23  ILE  24          3HG2      ILE  24  -2.374  -2.367  -1.387
   45   HD11  ILE  24          3HD1      ILE  24   1.176  -3.294   0.885
   46   HD12  ILE  24          1HD1      ILE  24   0.021  -4.057  -0.210
   47   HD13  ILE  24          2HD1      ILE  24   1.584  -3.477  -0.822
   48    H    GLY  25           H        GLY  25   0.812  -2.736  -5.361
   49    HA2  GLY  25           1HA      GLY  25  -0.091  -0.255  -6.736
   50    HA3  GLY  25           2HA      GLY  25   0.712  -1.661  -7.460
   51    H    GLY  26           H        GLY  26  -1.514  -0.421  -8.596
   52    HA2  GLY  26           1HA      GLY  26  -3.256  -1.236  -9.890
   53    HA3  GLY  26           2HA      GLY  26  -3.143  -2.800  -9.056
   54    H    LEU  27           H        LEU  27  -3.584  -0.017  -7.031
   55    HA   LEU  27           HA       LEU  27  -6.050  -1.026  -5.921
   56    HB2  LEU  27           1HB      LEU  27  -4.773   1.726  -5.625
   57    HB3  LEU  27           2HB      LEU  27  -6.038   1.074  -4.615
   58    HG   LEU  27           HG       LEU  27  -3.177   0.042  -4.732
   59   HD11  LEU  27          1HD1      LEU  27  -3.581   2.247  -3.594
   60   HD12  LEU  27          2HD1      LEU  27  -4.760   1.467  -2.541
   61   HD13  LEU  27          3HD1      LEU  27  -3.050   0.978  -2.474
   62   HD21  LEU  27          3HD2      LEU  27  -4.037  -1.256  -2.652
   63   HD22  LEU  27          1HD2      LEU  27  -5.642  -1.057  -3.379
   64   HD23  LEU  27          2HD2      LEU  27  -4.337  -1.876  -4.274
   65    H    SER  28           H        SER  28  -7.960   0.410  -5.567
   66    HA   SER  28           HA       SER  28  -9.035   1.493  -8.123
   67    HB2  SER  28           1HB      SER  28 -10.457  -0.040  -6.864
   68    HB3  SER  28           2HB      SER  28 -10.270   0.935  -5.404
   69    HG   SER  28           HG       SER  28 -12.226   1.301  -6.492
   70    H    TRP  29           H        TRP  29  -9.778   3.669  -8.258
   71    HA   TRP  29           HA       TRP  29  -8.500   5.673  -6.583
   72    HB2  TRP  29           1HB      TRP  29 -10.561   5.727  -8.774
   73    HB3  TRP  29           2HB      TRP  29 -10.136   7.177  -7.874
   74    HD1  TRP  29           HD       TRP  29  -7.186   4.948  -8.573
   75    HE1  TRP  29           1HE      TRP  29  -5.794   5.845 -10.508
   76    HE3  TRP  29           3HE      TRP  29 -10.355   8.632 -10.197
   77    HZ2  TRP  29           2HZ      TRP  29  -5.957   7.981 -12.448
   78    HZ3  TRP  29           3HZ      TRP  29  -9.708  10.078 -12.106
   79    HH2  TRP  29           HH       TRP  29  -7.526   9.757 -13.247
   80    H    GLN  30           H        GLN  30 -11.112   3.657  -5.928
   81    HA   GLN  30           HA       GLN  30 -12.261   5.526  -3.902
   82    HB2  GLN  30           1HB      GLN  30 -13.096   2.679  -4.490
   83    HB3  GLN  30           2HB      GLN  30 -13.980   3.901  -3.584
   84    HG2  GLN  30           1HG      GLN  30 -14.170   5.248  -5.726
   85    HG3  GLN  30           2HG      GLN  30 -13.489   3.862  -6.592
   86   HE21  GLN  30          2HE2      GLN  30 -14.745   1.618  -5.774
   87   HE22  GLN  30          1HE2      GLN  30 -16.489   1.811  -5.902
   88    H    THR  31           H        THR  31  -9.658   3.285  -4.053
   89    HA   THR  31           HA       THR  31 -10.012   2.014  -1.480
   90    HB   THR  31           HB       THR  31  -7.472   2.388  -3.123
   91    HG1  THR  31           1HG      THR  31  -9.348   0.249  -3.003
   92   HG21  THR  31          3HG2      THR  31  -6.821   0.251  -1.926
   93   HG22  THR  31          1HG2      THR  31  -6.876   1.675  -0.885
   94   HG23  THR  31          2HG2      THR  31  -8.202   0.491  -0.842
   95    H    THR  32           H        THR  32  -9.293   2.565   0.488
   96    HA   THR  32           HA       THR  32  -7.723   5.076   0.890
   97    HB   THR  32           HB       THR  32  -8.890   5.398   3.000
   98    HG1  THR  32           1HG      THR  32 -10.745   4.005   3.384
   99   HG21  THR  32          3HG2      THR  32 -11.087   6.036   2.228
  100   HG22  THR  32          1HG2      THR  32  -9.925   6.369   0.932
  101   HG23  THR  32          2HG2      THR  32 -10.984   4.944   0.831
  102    H    GLN  33           H        GLN  33  -6.428   5.039   2.894
  103    HA   GLN  33           HA       GLN  33  -4.927   2.585   3.161
  104    HB2  GLN  33           1HB      GLN  33  -3.677   3.822   4.911
  105    HB3  GLN  33           2HB      GLN  33  -3.768   4.563   3.324
  106    HG2  GLN  33           1HG      GLN  33  -5.642   6.064   4.255
  107    HG3  GLN  33           2HG      GLN  33  -5.165   5.468   5.849
  108   HE21  GLN  33          2HE2      GLN  33  -3.787   7.011   6.828
  109   HE22  GLN  33          1HE2      GLN  33  -2.616   7.967   5.935
  110    H    GLU  34           H        GLU  34  -7.700   3.786   4.894
  111    HA   GLU  34           HA       GLU  34  -7.551   1.850   7.071
  112    HB2  GLU  34           1HB      GLU  34  -9.925   3.299   5.826
  113    HB3  GLU  34           2HB      GLU  34  -9.996   2.316   7.284
  114    HG2  GLU  34           1HG      GLU  34  -8.368   4.873   6.939
  115    HG3  GLU  34           2HG      GLU  34  -9.905   4.729   7.780
  116    H    GLY  35           H        GLY  35  -8.930   1.889   3.756
  117    HA2  GLY  35           1HA      GLY  35 -10.093  -0.749   3.821
  118    HA3  GLY  35           2HA      GLY  35  -9.676   0.207   2.380
  119    H    LEU  36           H        LEU  36  -6.827   0.464   2.916
  120    HA   LEU  36           HA       LEU  36  -5.788  -2.098   2.152
  121    HB2  LEU  36           1HB      LEU  36  -4.248   0.160   3.538
  122    HB3  LEU  36           2HB      LEU  36  -3.561  -1.216   2.704
  123    HG   LEU  36           HG       LEU  36  -5.005   1.137   1.467
  124   HD11  LEU  36          1HD1      LEU  36  -2.611   1.409   2.064
  125   HD12  LEU  36          2HD1      LEU  36  -2.212   0.000   1.058
  126   HD13  LEU  36          3HD1      LEU  36  -2.877   1.462   0.310
  127   HD21  LEU  36          3HD2      LEU  36  -4.602   0.032  -0.724
  128   HD22  LEU  36          1HD2      LEU  36  -4.171  -1.466   0.131
  129   HD23  LEU  36          2HD2      LEU  36  -5.814  -0.782   0.263
  130    H    ARG  37           H        ARG  37  -5.718  -0.522   5.408
  131    HA   ARG  37           HA       ARG  37  -4.629  -2.755   6.765
  132    HB2  ARG  37           1HB      ARG  37  -4.862  -0.544   7.764
  133    HB3  ARG  37           2HB      ARG  37  -6.625  -0.659   7.719
  134    HG2  ARG  37           1HG      ARG  37  -6.573  -2.547   9.322
  135    HG3  ARG  37           2HG      ARG  37  -4.802  -2.504   9.323
  136    HD2  ARG  37           1HD      ARG  37  -4.960  -0.103  10.103
  137    HD3  ARG  37           2HD      ARG  37  -6.706  -0.306  10.221
  138    HE   ARG  37           HE       ARG  37  -4.644  -1.338  12.032
  139   HH11  ARG  37          1HH1      ARG  37  -8.043  -1.733  11.112
  140   HH12  ARG  37          2HH1      ARG  37  -8.447  -2.511  12.612
  141   HH21  ARG  37          1HH2      ARG  37  -5.241  -2.343  13.938
  142   HH22  ARG  37          2HH2      ARG  37  -6.883  -2.849  14.184
  143    H    GLU  38           H        GLU  38  -8.032  -2.100   5.951
  144    HA   GLU  38           HA       GLU  38  -9.195  -4.261   7.277
  145    HB2  GLU  38           1HB      GLU  38 -10.164  -2.200   5.803
  146    HB3  GLU  38           2HB      GLU  38 -10.328  -3.481   4.598
  147    HG2  GLU  38           1HG      GLU  38 -11.557  -4.835   6.327
  148    HG3  GLU  38           2HG      GLU  38 -11.383  -3.473   7.446
  149    H    TYR  39           H        TYR  39  -7.623  -4.227   4.072
  150    HA   TYR  39           HA       TYR  39  -8.275  -7.042   3.509
  151    HB2  TYR  39           1HB      TYR  39  -8.183  -5.274   1.771
  152    HB3  TYR  39           2HB      TYR  39  -6.457  -5.082   2.059
  153    HD1  TYR  39           2HD      TYR  39  -9.074  -7.589   1.098
  154    HD2  TYR  39           1HD      TYR  39  -4.894  -6.542   0.968
  155    HE1  TYR  39           2HE      TYR  39  -8.633  -9.555  -0.349
  156    HE2  TYR  39           1HE      TYR  39  -4.447  -8.493  -0.495
  157    HH   TYR  39           HH       TYR  39  -7.057 -10.809  -1.417
  158    H    PHE  40           H        PHE  40  -5.403  -5.166   4.477
  159    HA   PHE  40           HA       PHE  40  -3.673  -7.469   4.266
  160    HB2  PHE  40           1HB      PHE  40  -3.259  -4.565   4.918
  161    HB3  PHE  40           2HB      PHE  40  -1.967  -5.702   5.177
  162    HD1  PHE  40           1HD      PHE  40  -1.598  -7.459   3.119
  163    HD2  PHE  40           2HD      PHE  40  -3.455  -3.591   2.739
  164    HE1  PHE  40           1HE      PHE  40  -1.256  -7.527   0.666
  165    HE2  PHE  40           2HE      PHE  40  -3.136  -3.674   0.296
  166    HZ   PHE  40           HZ       PHE  40  -2.034  -5.638  -0.755
  167    H    GLY  41           H        GLY  41  -5.489  -6.194   6.920
  168    HA2  GLY  41           1HA      GLY  41  -4.069  -7.399   9.087
  169    HA3  GLY  41           2HA      GLY  41  -5.804  -7.027   9.037
  170    H    GLN  42           H        GLN  42  -5.662  -8.971   6.492
  171    HA   GLN  42           HA       GLN  42  -6.418 -11.444   7.839
  172    HB2  GLN  42           1HB      GLN  42  -5.738 -10.908   4.912
  173    HB3  GLN  42           2HB      GLN  42  -6.558 -12.334   5.548
  174    HG2  GLN  42           1HG      GLN  42  -8.459 -10.903   6.291
  175    HG3  GLN  42           2HG      GLN  42  -7.646  -9.490   5.616
  176   HE21  GLN  42          2HE2      GLN  42  -7.150  -9.550   3.223
  177   HE22  GLN  42          1HE2      GLN  42  -8.289 -10.410   2.185
  178    H    PHE  43           H        PHE  43  -3.418 -10.132   6.574
  179    HA   PHE  43           HA       PHE  43  -2.063 -12.781   6.615
  180    HB2  PHE  43           1HB      PHE  43  -1.098 -10.106   5.539
  181    HB3  PHE  43           2HB      PHE  43  -0.361 -11.673   5.286
  182    HD1  PHE  43           2HD      PHE  43  -1.468 -13.361   3.785
  183    HD2  PHE  43           1HD      PHE  43  -3.067  -9.417   4.292
  184    HE1  PHE  43           2HE      PHE  43  -2.871 -13.677   1.763
  185    HE2  PHE  43           1HE      PHE  43  -4.472  -9.708   2.266
  186    HZ   PHE  43           HZ       PHE  43  -4.384 -11.852   1.005
  187    H    GLY  44           H        GLY  44  -1.845  -9.519   8.046
  188    HA2  GLY  44           1HA      GLY  44  -0.811 -10.496  10.534
  189    HA3  GLY  44           2HA      GLY  44   0.486  -9.753   9.613
  190    H    GLU  45           H        GLU  45  -0.441  -8.742  12.088
  191    HA   GLU  45           HA       GLU  45  -2.230  -6.512  11.778
  192    HB2  GLU  45           1HB      GLU  45  -1.690  -7.557  13.941
  193    HB3  GLU  45           2HB      GLU  45  -0.023  -6.974  13.829
  194    HG2  GLU  45           1HG      GLU  45  -0.772  -4.654  13.953
  195    HG3  GLU  45           2HG      GLU  45  -2.462  -5.143  13.788
  196    H    VAL  46           H        VAL  46  -1.874  -4.517  10.891
  197    HA   VAL  46           HA       VAL  46   0.724  -4.037   9.662
  198    HB   VAL  46           HB       VAL  46  -0.211  -2.348   8.369
  199   HG11  VAL  46          1HG1      VAL  46  -0.813  -4.682   7.730
  200   HG12  VAL  46          2HG1      VAL  46  -2.366  -4.488   8.579
  201   HG13  VAL  46          3HG1      VAL  46  -1.994  -3.481   7.176
  202   HG21  VAL  46          3HG2      VAL  46  -2.553  -1.566   8.522
  203   HG22  VAL  46          1HG2      VAL  46  -2.677  -2.363  10.115
  204   HG23  VAL  46          2HG2      VAL  46  -1.531  -1.023   9.854
  205    H    LYS  47           H        LYS  47   2.144  -2.512  10.089
  206    HA   LYS  47           HA       LYS  47   2.069  -1.107  12.699
  207    HB2  LYS  47           1HB      LYS  47   3.930  -2.597  11.979
  208    HB3  LYS  47           2HB      LYS  47   4.284  -1.508  10.640
  209    HG2  LYS  47           1HG      LYS  47   4.914   0.275  12.178
  210    HG3  LYS  47           2HG      LYS  47   4.336  -0.665  13.567
  211    HD2  LYS  47           1HD      LYS  47   6.067  -2.395  13.105
  212    HD3  LYS  47           2HD      LYS  47   6.659  -1.426  11.736
  213    HE2  LYS  47           1HE      LYS  47   7.152   0.455  13.286
  214    HE3  LYS  47           2HE      LYS  47   6.534  -0.491  14.644
  215    HZ1  LYS  47           3HZ      LYS  47   8.947  -0.613  14.512
  216    HZ2  LYS  47           1HZ      LYS  47   8.319  -2.098  14.258
  217    HZ3  LYS  47           2HZ      LYS  47   8.894  -1.224  12.998
  218    H    GLU  48           H        GLU  48   1.760  -0.414   9.334
  219    HA   GLU  48           HA       GLU  48   1.005   2.352   9.687
  220    HB2  GLU  48           1HB      GLU  48   3.392   2.746   9.789
  221    HB3  GLU  48           2HB      GLU  48   3.693   1.670   8.435
  222    HG2  GLU  48           1HG      GLU  48   2.626   3.244   6.882
  223    HG3  GLU  48           2HG      GLU  48   2.228   4.319   8.231
  224    H    CYS  49           H        CYS  49  -0.232   2.982   7.903
  225    HA   CYS  49           HA       CYS  49  -0.052   1.472   5.388
  226    HB2  CYS  49           1HB      CYS  49  -2.508   1.190   5.245
  227    HB3  CYS  49           2HB      CYS  49  -1.786   0.240   6.552
  228    HG   CYS  49           HG       CYS  49  -4.273   1.553   6.906
  229    H    LEU  50           H        LEU  50  -0.590   2.673   3.589
  230    HA   LEU  50           HA       LEU  50  -1.258   5.557   3.911
  231    HB2  LEU  50           1HB      LEU  50   1.306   4.337   2.866
  232    HB3  LEU  50           2HB      LEU  50   0.794   5.938   2.379
  233    HG   LEU  50           HG       LEU  50   1.438   5.128   5.241
  234   HD11  LEU  50          1HD1      LEU  50   3.409   5.127   3.739
  235   HD12  LEU  50          2HD1      LEU  50   3.019   6.778   3.207
  236   HD13  LEU  50          3HD1      LEU  50   3.479   6.468   4.894
  237   HD21  LEU  50          3HD2      LEU  50   1.414   7.599   5.638
  238   HD22  LEU  50          1HD2      LEU  50   0.820   7.846   3.981
  239   HD23  LEU  50          2HD2      LEU  50  -0.182   6.997   5.180
  240    H    VAL  51           H        VAL  51  -2.193   6.465   2.165
  241    HA   VAL  51           HA       VAL  51  -1.980   5.120  -0.507
  242    HB   VAL  51           HB       VAL  51  -4.517   6.280   0.708
  243   HG11  VAL  51          1HG1      VAL  51  -4.352   7.162  -1.586
  244   HG12  VAL  51          2HG1      VAL  51  -3.967   5.541  -2.205
  245   HG13  VAL  51          3HG1      VAL  51  -5.570   5.890  -1.524
  246   HG21  VAL  51          3HG2      VAL  51  -5.457   4.073   0.048
  247   HG22  VAL  51          1HG2      VAL  51  -3.865   3.571  -0.550
  248   HG23  VAL  51          2HG2      VAL  51  -4.112   3.885   1.179
  249    H    MET  52           H        MET  52  -1.209   6.386  -1.992
  250    HA   MET  52           HA       MET  52  -0.278   9.063  -1.183
  251    HB2  MET  52           1HB      MET  52   0.459   7.105  -3.379
  252    HB3  MET  52           2HB      MET  52   1.239   8.693  -3.172
  253    HG2  MET  52           1HG      MET  52   1.223   6.620  -0.980
  254    HG3  MET  52           2HG      MET  52   2.500   6.801  -2.170
  255    HE1  MET  52           3HE      MET  52   2.139   8.971   1.672
  256    HE2  MET  52           1HE      MET  52   0.695   8.320   0.857
  257    HE3  MET  52           2HE      MET  52   2.083   7.255   1.199
  258    H    ARG  53           H        ARG  53  -2.938   9.198  -1.650
  259    HA   ARG  53           HA       ARG  53  -3.695   9.786  -4.308
  260    HB2  ARG  53           1HB      ARG  53  -5.788  10.594  -3.387
  261    HB3  ARG  53           2HB      ARG  53  -5.296   9.118  -2.564
  262    HG2  ARG  53           1HG      ARG  53  -4.495  10.476  -0.628
  263    HG3  ARG  53           2HG      ARG  53  -5.006  11.954  -1.475
  264    HD2  ARG  53           1HD      ARG  53  -7.335  11.083  -1.558
  265    HD3  ARG  53           2HD      ARG  53  -6.819   9.652  -0.641
  266    HE   ARG  53           HE       ARG  53  -6.000  11.892   0.843
  267   HH11  ARG  53          1HH1      ARG  53  -9.106  10.510  -0.151
  268   HH12  ARG  53          2HH1      ARG  53  -9.944  11.187   1.212
  269   HH21  ARG  53          1HH2      ARG  53  -7.146  12.730   2.579
  270   HH22  ARG  53          2HH2      ARG  53  -8.847  12.420   2.735
  271    H    ASP  54           H        ASP  54  -4.395  11.707  -5.296
  272    HA   ASP  54           HA       ASP  54  -2.727  14.086  -4.839
  273    HB2  ASP  54           1HB      ASP  54  -3.193  13.334  -7.113
  274    HB3  ASP  54           2HB      ASP  54  -4.930  13.397  -6.798
  275    HA   PRO  55           HA       PRO  55  -5.944  15.571  -2.107
  276    HB2  PRO  55           1HB      PRO  55  -4.941  17.990  -1.330
  277    HB3  PRO  55           2HB      PRO  55  -4.191  16.434  -0.864
  278    HG2  PRO  55           1HG      PRO  55  -3.406  18.262  -3.155
  279    HG3  PRO  55           2HG      PRO  55  -2.344  17.534  -1.910
  280    HD2  PRO  55           1HD      PRO  55  -2.668  16.418  -4.385
  281    HD3  PRO  55           2HD      PRO  55  -2.453  15.413  -2.920
  282    H    LEU  56           H        LEU  56  -5.374  17.105  -5.182
  283    HA   LEU  56           HA       LEU  56  -7.548  19.090  -4.835
  284    HB2  LEU  56           1HB      LEU  56  -5.538  18.438  -7.012
  285    HB3  LEU  56           2HB      LEU  56  -6.990  19.348  -7.376
  286    HG   LEU  56           HG       LEU  56  -6.395  21.080  -5.740
  287   HD11  LEU  56          1HD1      LEU  56  -5.037  19.889  -4.107
  288   HD12  LEU  56          2HD1      LEU  56  -3.824  19.484  -5.350
  289   HD13  LEU  56          3HD1      LEU  56  -4.060  21.167  -4.829
  290   HD21  LEU  56          3HD2      LEU  56  -4.540  22.048  -7.045
  291   HD22  LEU  56          1HD2      LEU  56  -4.188  20.456  -7.752
  292   HD23  LEU  56          2HD2      LEU  56  -5.725  21.276  -8.109
  293    H    THR  57           H        THR  57  -6.901  16.092  -6.671
  294    HA   THR  57           HA       THR  57  -9.744  16.051  -7.618
  295    HB   THR  57           HB       THR  57  -8.970  14.641  -9.418
  296    HG1  THR  57           1HG      THR  57  -6.386  14.974  -8.281
  297   HG21  THR  57          3HG2      THR  57  -7.545  16.183 -10.635
  298   HG22  THR  57          1HG2      THR  57  -8.760  17.099  -9.721
  299   HG23  THR  57          2HG2      THR  57  -7.080  17.013  -9.140
  300    H    LYS  58           H        LYS  58  -7.781  14.513  -5.374
  301    HA   LYS  58           HA       LYS  58  -8.071  12.852  -3.923
  302    HB2  LYS  58           1HB      LYS  58 -10.949  12.995  -4.891
  303    HB3  LYS  58           2HB      LYS  58 -10.422  11.902  -3.631
  304    HG2  LYS  58           1HG      LYS  58 -11.392  13.877  -2.673
  305    HG3  LYS  58           2HG      LYS  58  -9.702  13.720  -2.202
  306    HD2  LYS  58           1HD      LYS  58  -9.040  15.523  -3.659
  307    HD3  LYS  58           2HD      LYS  58 -10.641  15.561  -4.441
  308    HE2  LYS  58           1HE      LYS  58 -11.677  16.297  -2.348
  309    HE3  LYS  58           2HE      LYS  58 -10.136  16.146  -1.489
  310    HZ1  LYS  58           3HZ      LYS  58 -10.621  18.446  -2.176
  311    HZ2  LYS  58           1HZ      LYS  58  -9.231  17.900  -2.845
  312    HZ3  LYS  58           2HZ      LYS  58 -10.593  18.010  -3.756
  313    H    ARG  59           H        ARG  59  -7.825  12.194  -7.110
  314    HA   ARG  59           HA       ARG  59  -8.281   9.378  -7.269
  315    HB2  ARG  59           1HB      ARG  59  -6.732   9.350  -9.114
  316    HB3  ARG  59           2HB      ARG  59  -7.792  10.758  -9.239
  317    HG2  ARG  59           1HG      ARG  59  -5.852  12.122  -8.284
  318    HG3  ARG  59           2HG      ARG  59  -4.859  10.666  -8.409
  319    HD2  ARG  59           1HD      ARG  59  -4.385  11.912 -10.349
  320    HD3  ARG  59           2HD      ARG  59  -5.442  10.589 -10.874
  321    HE   ARG  59           HE       ARG  59  -6.790  13.105 -10.151
  322   HH11  ARG  59          1HH1      ARG  59  -5.239  11.451 -12.871
  323   HH12  ARG  59          2HH1      ARG  59  -6.130  12.364 -14.052
  324   HH21  ARG  59          1HH2      ARG  59  -7.958  14.178 -11.719
  325   HH22  ARG  59          2HH2      ARG  59  -7.645  13.897 -13.406
  326    H    SER  60           H        SER  60  -7.161   7.609  -6.527
  327    HA   SER  60           HA       SER  60  -5.045   7.962  -4.529
  328    HB2  SER  60           1HB      SER  60  -5.188   5.560  -4.296
  329    HB3  SER  60           2HB      SER  60  -6.832   6.217  -4.389
  330    HG   SER  60           HG       SER  60  -6.714   4.459  -5.766
  331    H    ARG  61           H        ARG  61  -5.012   7.808  -7.910
  332    HA   ARG  61           HA       ARG  61  -3.545   7.336  -9.546
  333    HB2  ARG  61           1HB      ARG  61  -1.430   7.620  -7.364
  334    HB3  ARG  61           2HB      ARG  61  -1.084   7.402  -9.079
  335    HG2  ARG  61           1HG      ARG  61  -2.413   9.447  -9.607
  336    HG3  ARG  61           2HG      ARG  61  -2.617   9.747  -7.876
  337    HD2  ARG  61           1HD      ARG  61   0.103   9.389  -9.218
  338    HD3  ARG  61           2HD      ARG  61  -0.665  10.956  -9.044
  339    HE   ARG  61           HE       ARG  61  -0.758  10.366  -6.531
  340   HH11  ARG  61          1HH1      ARG  61   1.995   9.734  -8.672
  341   HH12  ARG  61          2HH1      ARG  61   3.113   9.558  -7.351
  342   HH21  ARG  61          1HH2      ARG  61   0.726  10.211  -4.893
  343   HH22  ARG  61          2HH2      ARG  61   2.437  10.068  -5.255
  344    H    GLY  62           H        GLY  62  -4.641   5.185  -7.580
  345    HA2  GLY  62           1HA      GLY  62  -4.827   2.914  -7.720
  346    HA3  GLY  62           2HA      GLY  62  -3.696   2.924  -9.093
  347    H    PHE  63           H        PHE  63  -2.599   4.292  -5.992
  348    HA   PHE  63           HA       PHE  63  -1.479   1.742  -5.195
  349    HB2  PHE  63           1HB      PHE  63   0.768   2.068  -5.584
  350    HB3  PHE  63           2HB      PHE  63   0.045   2.648  -7.061
  351    HD1  PHE  63           2HD      PHE  63  -0.190   5.214  -7.383
  352    HD2  PHE  63           1HD      PHE  63   2.058   3.444  -4.159
  353    HE1  PHE  63           2HE      PHE  63   0.938   7.390  -6.988
  354    HE2  PHE  63           1HE      PHE  63   3.253   5.583  -3.829
  355    HZ   PHE  63           HZ       PHE  63   2.674   7.553  -5.151
  356    H    GLY  64           H        GLY  64  -0.224   1.684  -3.340
  357    HA2  GLY  64           1HA      GLY  64   0.044   4.000  -1.552
  358    HA3  GLY  64           2HA      GLY  64  -1.095   2.780  -1.008
  359    H    PHE  65           H        PHE  65   0.289   2.485   0.809
  360    HA   PHE  65           HA       PHE  65   2.479   0.526   0.415
  361    HB2  PHE  65           1HB      PHE  65   2.761   3.225   1.786
  362    HB3  PHE  65           2HB      PHE  65   3.798   1.878   2.162
  363    HD1  PHE  65           2HD      PHE  65   2.906   4.363  -0.517
  364    HD2  PHE  65           1HD      PHE  65   5.574   1.188   0.747
  365    HE1  PHE  65           2HE      PHE  65   4.557   5.057  -2.187
  366    HE2  PHE  65           1HE      PHE  65   7.236   1.937  -0.921
  367    HZ   PHE  65           HZ       PHE  65   6.732   3.895  -2.390
  368    H    VAL  66           H        VAL  66   2.773  -0.849   2.172
  369    HA   VAL  66           HA       VAL  66   1.325  -0.306   4.715
  370    HB   VAL  66           HB       VAL  66   0.991  -2.900   3.154
  371   HG11  VAL  66          1HG1      VAL  66   1.211  -3.427   5.560
  372   HG12  VAL  66          2HG1      VAL  66   0.008  -2.176   5.952
  373   HG13  VAL  66          3HG1      VAL  66  -0.461  -3.627   5.042
  374   HG21  VAL  66          3HG2      VAL  66  -1.424  -2.382   3.261
  375   HG22  VAL  66          1HG2      VAL  66  -1.077  -0.845   4.077
  376   HG23  VAL  66          2HG2      VAL  66  -0.556  -1.116   2.403
  377    H    THR  67           H        THR  67   2.505  -0.722   6.406
  378    HA   THR  67           HA       THR  67   4.970  -2.430   6.285
  379    HB   THR  67           HB       THR  67   4.217  -0.439   8.440
  380    HG1  THR  67           1HG      THR  67   5.484   1.046   7.351
  381   HG21  THR  67          3HG2      THR  67   6.613  -0.448   8.941
  382   HG22  THR  67          1HG2      THR  67   6.011  -2.112   8.993
  383   HG23  THR  67          2HG2      THR  67   6.926  -1.549   7.586
  384    H    PHE  68           H        PHE  68   5.151  -4.090   7.785
  385    HA   PHE  68           HA       PHE  68   2.653  -4.818   9.282
  386    HB2  PHE  68           1HB      PHE  68   4.782  -6.546   7.987
  387    HB3  PHE  68           2HB      PHE  68   3.480  -7.152   9.002
  388    HD1  PHE  68           1HD      PHE  68   4.239  -5.514   5.742
  389    HD2  PHE  68           2HD      PHE  68   1.217  -7.388   8.183
  390    HE1  PHE  68           1HE      PHE  68   2.748  -5.688   3.766
  391    HE2  PHE  68           2HE      PHE  68  -0.269  -7.558   6.205
  392    HZ   PHE  68           HZ       PHE  68   0.499  -6.711   3.992
  393    H    MET  69           H        MET  69   2.804  -5.692  11.343
  394    HA   MET  69           HA       MET  69   4.958  -4.819  13.057
  395    HB2  MET  69           1HB      MET  69   2.667  -6.778  13.481
  396    HB3  MET  69           2HB      MET  69   3.760  -6.249  14.760
  397    HG2  MET  69           1HG      MET  69   1.974  -4.386  13.148
  398    HG3  MET  69           2HG      MET  69   1.614  -5.038  14.741
  399    HE1  MET  69           3HE      MET  69   2.121  -1.397  15.733
  400    HE2  MET  69           1HE      MET  69   1.183  -2.189  14.443
  401    HE3  MET  69           2HE      MET  69   1.231  -2.898  16.067
  402    H    ASP  70           H        ASP  70   4.721  -7.588  11.050
  403    HA   ASP  70           HA       ASP  70   7.336  -8.523  11.893
  404    HB2  ASP  70           1HB      ASP  70   5.665  -9.735  13.426
  405    HB3  ASP  70           2HB      ASP  70   5.049 -10.522  11.968
  406    H    GLN  71           H        GLN  71   8.259 -10.009  10.380
  407    HA   GLN  71           HA       GLN  71   7.663  -9.501   7.640
  408    HB2  GLN  71           1HB      GLN  71   9.887 -10.098   8.728
  409    HB3  GLN  71           2HB      GLN  71   9.291 -11.738   8.909
  410    HG2  GLN  71           1HG      GLN  71  10.771 -11.565   6.968
  411    HG3  GLN  71           2HG      GLN  71   9.150 -11.977   6.441
  412   HE21  GLN  71          2HE2      GLN  71  10.203 -11.192   4.311
  413   HE22  GLN  71          1HE2      GLN  71  10.075  -9.470   3.986
  414    H    ALA  72           H        ALA  72   6.479 -12.006   9.826
  415    HA   ALA  72           HA       ALA  72   5.784 -14.005   7.977
  416    HB1  ALA  72           1HB      ALA  72   5.751 -14.272  10.431
  417    HB2  ALA  72           2HB      ALA  72   4.351 -13.175  10.540
  418    HB3  ALA  72           3HB      ALA  72   4.196 -14.743   9.715
  419    H    GLY  73           H        GLY  73   4.117 -10.917   8.478
  420    HA2  GLY  73           1HA      GLY  73   1.796 -11.757   6.867
  421    HA3  GLY  73           2HA      GLY  73   2.146 -10.109   7.423
  422    H    VAL  74           H        VAL  74   4.834 -10.044   6.330
  423    HA   VAL  74           HA       VAL  74   4.305  -9.158   3.626
  424    HB   VAL  74           HB       VAL  74   6.939  -9.722   5.048
  425   HG11  VAL  74          1HG1      VAL  74   7.382  -9.916   2.670
  426   HG12  VAL  74          2HG1      VAL  74   6.497  -8.412   2.338
  427   HG13  VAL  74          3HG1      VAL  74   8.015  -8.376   3.251
  428   HG21  VAL  74          3HG2      VAL  74   7.125  -7.275   5.192
  429   HG22  VAL  74          1HG2      VAL  74   5.540  -7.100   4.410
  430   HG23  VAL  74          2HG2      VAL  74   5.675  -7.844   6.022
  431    H    ASP  75           H        ASP  75   5.934 -12.053   5.012
  432    HA   ASP  75           HA       ASP  75   6.629 -13.420   2.692
  433    HB2  ASP  75           1HB      ASP  75   7.181 -14.018   5.073
  434    HB3  ASP  75           2HB      ASP  75   5.540 -14.600   5.287
  435    H    LYS  76           H        LYS  76   3.463 -13.602   4.404
  436    HA   LYS  76           HA       LYS  76   2.288 -15.522   2.635
  437    HB2  LYS  76           1HB      LYS  76   1.034 -13.366   4.374
  438    HB3  LYS  76           2HB      LYS  76   0.152 -14.703   3.598
  439    HG2  LYS  76           1HG      LYS  76   1.164 -16.359   4.950
  440    HG3  LYS  76           2HG      LYS  76   2.410 -15.248   5.540
  441    HD2  LYS  76           1HD      LYS  76   0.582 -13.832   6.559
  442    HD3  LYS  76           2HD      LYS  76  -0.602 -15.066   6.079
  443    HE2  LYS  76           1HE      LYS  76   0.573 -16.726   7.481
  444    HE3  LYS  76           2HE      LYS  76   1.804 -15.514   7.889
  445    HZ1  LYS  76           3HZ      LYS  76   0.184 -15.622   9.653
  446    HZ2  LYS  76           1HZ      LYS  76   0.002 -14.174   8.897
  447    HZ3  LYS  76           2HZ      LYS  76  -1.066 -15.384   8.627
  448    H    VAL  77           H        VAL  77   2.358 -11.965   2.470
  449    HA   VAL  77           HA       VAL  77   0.412 -11.792   0.343
  450    HB   VAL  77           HB       VAL  77   2.489  -9.789   1.269
  451   HG11  VAL  77          1HG1      VAL  77   1.836  -9.169  -1.032
  452   HG12  VAL  77          2HG1      VAL  77   0.120  -9.318  -0.600
  453   HG13  VAL  77          3HG1      VAL  77   1.125  -8.048   0.126
  454   HG21  VAL  77          3HG2      VAL  77   0.596  -8.707   2.415
  455   HG22  VAL  77          1HG2      VAL  77  -0.548  -9.868   1.706
  456   HG23  VAL  77          2HG2      VAL  77   0.623 -10.404   2.909
  457    H    LEU  78           H        LEU  78   3.955 -12.219   0.378
  458    HA   LEU  78           HA       LEU  78   4.264 -11.975  -2.521
  459    HB2  LEU  78           1HB      LEU  78   6.002 -13.309  -0.412
  460    HB3  LEU  78           2HB      LEU  78   6.511 -12.867  -2.037
  461    HG   LEU  78           HG       LEU  78   5.592 -10.824   0.038
  462   HD11  LEU  78          1HD1      LEU  78   7.467 -12.092   0.866
  463   HD12  LEU  78          2HD1      LEU  78   8.365 -11.857  -0.649
  464   HD13  LEU  78          3HD1      LEU  78   8.021 -10.461   0.409
  465   HD21  LEU  78          3HD2      LEU  78   6.813  -9.228  -1.405
  466   HD22  LEU  78          1HD2      LEU  78   7.085 -10.517  -2.597
  467   HD23  LEU  78          2HD2      LEU  78   5.430  -9.966  -2.223
  468    H    ALA  79           H        ALA  79   3.916 -14.657  -0.198
  469    HA   ALA  79           HA       ALA  79   4.341 -16.735  -2.059
  470    HB1  ALA  79           1HB      ALA  79   4.589 -16.966   0.381
  471    HB2  ALA  79           2HB      ALA  79   2.833 -16.764   0.594
  472    HB3  ALA  79           3HB      ALA  79   3.472 -18.188  -0.251
  473    H    GLN  80           H        GLN  80   1.369 -14.965  -1.357
  474    HA   GLN  80           HA       GLN  80  -0.353 -16.871  -2.793
  475    HB2  GLN  80           1HB      GLN  80  -1.145 -15.692  -0.793
  476    HB3  GLN  80           2HB      GLN  80  -0.916 -14.132  -1.587
  477    HG2  GLN  80           1HG      GLN  80  -2.620 -14.678  -3.255
  478    HG3  GLN  80           2HG      GLN  80  -2.772 -16.322  -2.635
  479   HE21  GLN  80          2HE2      GLN  80  -4.509 -13.591  -2.741
  480   HE22  GLN  80          1HE2      GLN  80  -5.316 -13.713  -1.174
  481    H    SER  81           H        SER  81  -0.971 -16.734  -4.912
  482    HA   SER  81           HA       SER  81   0.661 -15.136  -6.629
  483    HB2  SER  81           1HB      SER  81  -1.676 -16.925  -7.363
  484    HB3  SER  81           2HB      SER  81  -0.344 -16.419  -8.414
  485    HG   SER  81           HG       SER  81  -0.017 -18.540  -7.573
  486    H    ARG  82           H        ARG  82  -2.390 -14.273  -5.336
  487    HA   ARG  82           HA       ARG  82  -2.735 -12.019  -7.150
  488    HB2  ARG  82           1HB      ARG  82  -3.660 -13.966  -8.444
  489    HB3  ARG  82           2HB      ARG  82  -4.830 -14.239  -7.155
  490    HG2  ARG  82           1HG      ARG  82  -5.852 -12.045  -7.567
  491    HG3  ARG  82           2HG      ARG  82  -4.598 -11.641  -8.751
  492    HD2  ARG  82           1HD      ARG  82  -6.534 -13.977  -9.008
  493    HD3  ARG  82           2HD      ARG  82  -6.811 -12.373  -9.712
  494    HE   ARG  82           HE       ARG  82  -4.280 -13.176 -10.606
  495   HH11  ARG  82          1HH1      ARG  82  -7.600 -14.312 -11.051
  496   HH12  ARG  82          2HH1      ARG  82  -7.254 -14.993 -12.613
  497   HH21  ARG  82          1HH2      ARG  82  -3.898 -14.081 -12.621
  498   HH22  ARG  82          2HH2      ARG  82  -5.187 -14.859 -13.487
  499    H    HIS  83           H        HIS  83  -4.178 -10.474  -6.385
  500    HA   HIS  83           HA       HIS  83  -5.628 -10.893  -3.825
  501    HB2  HIS  83           1HB      HIS  83  -3.462  -8.832  -4.393
  502    HB3  HIS  83           2HB      HIS  83  -4.561  -8.742  -3.015
  503    HD1  HIS  83           1HD      HIS  83  -4.229 -10.760  -1.145
  504    HD2  HIS  83           2HD      HIS  83  -1.326 -10.351  -4.157
  505    HE1  HIS  83           1HE      HIS  83  -2.166 -12.052  -0.344
  506    H    GLU  84           H        GLU  84  -7.231  -9.158  -3.419
  507    HA   GLU  84           HA       GLU  84  -7.920  -7.366  -5.656
  508    HB2  GLU  84           1HB      GLU  84  -8.798  -9.681  -6.233
  509    HB3  GLU  84           2HB      GLU  84  -9.834  -9.567  -4.807
  510    HG2  GLU  84           1HG      GLU  84 -10.803  -7.430  -5.810
  511    HG3  GLU  84           2HG      GLU  84  -9.853  -7.759  -7.261
  512    H    LEU  85           H        LEU  85  -8.891  -5.591  -4.963
  513    HA   LEU  85           HA       LEU  85 -10.423  -5.465  -2.446
  514    HB2  LEU  85           1HB      LEU  85  -8.118  -5.180  -1.698
  515    HB3  LEU  85           2HB      LEU  85  -7.815  -3.987  -2.966
  516    HG   LEU  85           HG       LEU  85  -9.377  -2.406  -1.865
  517   HD11  LEU  85          1HD1      LEU  85 -10.928  -3.900  -0.712
  518   HD12  LEU  85          2HD1      LEU  85  -9.610  -4.597   0.248
  519   HD13  LEU  85          3HD1      LEU  85 -10.100  -2.911   0.501
  520   HD21  LEU  85          3HD2      LEU  85  -7.930  -1.917   0.067
  521   HD22  LEU  85          1HD2      LEU  85  -7.219  -3.542  -0.030
  522   HD23  LEU  85          2HD2      LEU  85  -6.966  -2.377  -1.347
  523    H    ASP  86           H        ASP  86 -12.076  -4.074  -2.658
  524    HA   ASP  86           HA       ASP  86 -13.682  -2.892  -3.688
  525    HB2  ASP  86           1HB      ASP  86 -12.043  -1.048  -3.186
  526    HB3  ASP  86           2HB      ASP  86 -11.493  -1.144  -4.857
  527    H    SER  87           H        SER  87 -12.884  -5.226  -4.996
  528    HA   SER  87           HA       SER  87 -13.185  -6.454  -6.878
  529    HB2  SER  87           1HB      SER  87 -14.740  -4.085  -7.962
  530    HB3  SER  87           2HB      SER  87 -14.782  -5.751  -8.546
  531    HG   SER  87           HG       SER  87 -16.538  -5.271  -7.120
  532    H    LYS  88           H        LYS  88 -10.846  -4.472  -6.729
  533    HA   LYS  88           HA       LYS  88 -10.005  -4.574  -9.605
  534    HB2  LYS  88           1HB      LYS  88  -9.591  -2.545  -7.397
  535    HB3  LYS  88           2HB      LYS  88  -8.299  -2.777  -8.559
  536    HG2  LYS  88           1HG      LYS  88 -11.141  -2.259  -9.495
  537    HG3  LYS  88           2HG      LYS  88 -10.065  -0.935  -9.012
  538    HD2  LYS  88           1HD      LYS  88  -8.384  -1.645 -10.663
  539    HD3  LYS  88           2HD      LYS  88  -9.439  -2.969 -11.199
  540    HE2  LYS  88           1HE      LYS  88 -11.148  -1.374 -11.933
  541    HE3  LYS  88           2HE      LYS  88 -10.234  -0.024 -11.258
  542    HZ1  LYS  88           3HZ      LYS  88  -9.810  -0.159 -13.611
  543    HZ2  LYS  88           1HZ      LYS  88  -8.425  -0.598 -12.845
  544    HZ3  LYS  88           2HZ      LYS  88  -9.378  -1.733 -13.526
  545    H    THR  89           H        THR  89  -8.301  -5.822 -10.046
  546    HA   THR  89           HA       THR  89  -7.137  -7.550  -8.037
  547    HB   THR  89           HB       THR  89  -6.215  -7.117 -10.903
  548    HG1  THR  89           1HG      THR  89  -7.672  -8.805 -11.345
  549   HG21  THR  89          3HG2      THR  89  -5.460  -9.472 -10.691
  550   HG22  THR  89          1HG2      THR  89  -4.661  -8.454  -9.485
  551   HG23  THR  89          2HG2      THR  89  -6.008  -9.504  -9.000
  552    H    ILE  90           H        ILE  90  -5.486  -7.071  -6.721
  553    HA   ILE  90           HA       ILE  90  -3.786  -4.694  -7.374
  554    HB   ILE  90           HB       ILE  90  -3.385  -4.370  -5.039
  555   HG12  ILE  90          1HG1      ILE  90  -5.235  -6.684  -4.411
  556   HG13  ILE  90          2HG1      ILE  90  -3.474  -6.643  -4.201
  557   HG21  ILE  90          1HG2      ILE  90  -5.403  -3.362  -6.171
  558   HG22  ILE  90          2HG2      ILE  90  -6.385  -4.709  -5.560
  559   HG23  ILE  90          3HG2      ILE  90  -5.661  -3.580  -4.437
  560   HD11  ILE  90          3HD1      ILE  90  -4.371  -6.186  -2.062
  561   HD12  ILE  90          1HD1      ILE  90  -3.796  -4.618  -2.689
  562   HD13  ILE  90          2HD1      ILE  90  -5.531  -5.011  -2.700
  563    H    ASP  91           H        ASP  91  -1.610  -4.697  -6.962
  564    HA   ASP  91           HA       ASP  91  -0.275  -7.376  -7.116
  565    HB2  ASP  91           1HB      ASP  91  -0.650  -6.411  -9.334
  566    HB3  ASP  91           2HB      ASP  91   0.149  -4.923  -8.831
  567    HA   PRO  92           HA       PRO  92   1.783  -4.715  -3.930
  568    HB2  PRO  92           1HB      PRO  92   1.549  -6.388  -1.752
  569    HB3  PRO  92           2HB      PRO  92   0.315  -5.198  -2.248
  570    HG2  PRO  92           1HG      PRO  92   0.346  -8.167  -2.786
  571    HG3  PRO  92           2HG      PRO  92  -1.047  -7.100  -2.348
  572    HD2  PRO  92           1HD      PRO  92  -0.517  -7.912  -4.905
  573    HD3  PRO  92           2HD      PRO  92  -1.314  -6.370  -4.467
  574    H    LYS  93           H        LYS  93   3.841  -4.879  -3.143
  575    HA   LYS  93           HA       LYS  93   5.525  -7.254  -3.537
  576    HB2  LYS  93           1HB      LYS  93   6.906  -6.143  -5.287
  577    HB3  LYS  93           2HB      LYS  93   5.264  -6.486  -5.826
  578    HG2  LYS  93           1HG      LYS  93   4.616  -4.134  -5.464
  579    HG3  LYS  93           2HG      LYS  93   6.218  -3.763  -4.820
  580    HD2  LYS  93           1HD      LYS  93   6.084  -2.963  -7.097
  581    HD3  LYS  93           2HD      LYS  93   7.232  -4.298  -7.009
  582    HE2  LYS  93           1HE      LYS  93   5.928  -4.572  -9.013
  583    HE3  LYS  93           2HE      LYS  93   5.472  -5.849  -7.886
  584    HZ1  LYS  93           3HZ      LYS  93   3.521  -4.902  -8.879
  585    HZ2  LYS  93           1HZ      LYS  93   3.490  -4.497  -7.311
  586    HZ3  LYS  93           2HZ      LYS  93   3.907  -3.378  -8.449
  587    H    VAL  94           H        VAL  94   7.888  -6.682  -3.093
  588    HA   VAL  94           HA       VAL  94   8.030  -5.478  -0.505
  589    HB   VAL  94           HB       VAL  94  10.316  -6.174  -2.394
  590   HG11  VAL  94          1HG1      VAL  94  11.150  -4.645  -0.662
  591   HG12  VAL  94          2HG1      VAL  94  10.340  -5.592   0.607
  592   HG13  VAL  94          3HG1      VAL  94  11.699  -6.280  -0.306
  593   HG21  VAL  94          3HG2      VAL  94  10.492  -8.226  -0.975
  594   HG22  VAL  94          1HG2      VAL  94   9.014  -7.742  -0.117
  595   HG23  VAL  94          2HG2      VAL  94   8.962  -8.149  -1.846
  596    H    ALA  95           H        ALA  95   8.576  -3.502   0.230
  597    HA   ALA  95           HA       ALA  95   8.432  -1.267  -1.654
  598    HB1  ALA  95           1HB      ALA  95   7.169  -1.256   0.463
  599    HB2  ALA  95           2HB      ALA  95   8.682  -1.376   1.383
  600    HB3  ALA  95           3HB      ALA  95   8.331   0.078   0.428
  601    H    PHE  96           H        PHE  96   9.996   0.115  -2.264
  602    HA   PHE  96           HA       PHE  96  12.787  -0.233  -1.707
  603    HB2  PHE  96           1HB      PHE  96  11.320   2.275  -2.611
  604    HB3  PHE  96           2HB      PHE  96  13.037   1.976  -2.774
  605    HD1  PHE  96           1HD      PHE  96  12.501  -1.088  -3.768
  606    HD2  PHE  96           2HD      PHE  96  11.160   2.840  -4.963
  607    HE1  PHE  96           1HE      PHE  96  12.102  -1.915  -6.060
  608    HE2  PHE  96           2HE      PHE  96  10.768   2.000  -7.261
  609    HZ   PHE  96           HZ       PHE  96  11.229  -0.381  -7.814
  610    HA   PRO  97           HA       PRO  97  13.065   1.408   2.343
  611    HB2  PRO  97           1HB      PRO  97  15.612   2.445   2.477
  612    HB3  PRO  97           2HB      PRO  97  15.252   0.696   2.368
  613    HG2  PRO  97           1HG      PRO  97  15.943   2.598   0.102
  614    HG3  PRO  97           2HG      PRO  97  16.679   1.001   0.468
  615    HD2  PRO  97           1HD      PRO  97  14.723   1.236  -1.379
  616    HD3  PRO  97           2HD      PRO  97  14.736  -0.157  -0.256
  617    H    ARG  98           H        ARG  98  13.402   3.346   3.694
  618    HA   ARG  98           HA       ARG  98  12.099   5.662   2.592
  619    HB2  ARG  98           1HB      ARG  98  13.509   5.221   5.259
  620    HB3  ARG  98           2HB      ARG  98  12.583   6.664   4.839
  621    HG2  ARG  98           1HG      ARG  98  10.555   5.197   4.463
  622    HG3  ARG  98           2HG      ARG  98  11.502   3.824   5.079
  623    HD2  ARG  98           1HD      ARG  98  11.941   5.212   7.169
  624    HD3  ARG  98           2HD      ARG  98  10.770   6.384   6.566
  625    HE   ARG  98           HE       ARG  98  10.277   3.740   7.722
  626   HH11  ARG  98          1HH1      ARG  98   8.704   6.248   5.741
  627   HH12  ARG  98          2HH1      ARG  98   7.127   5.786   6.326
  628   HH21  ARG  98          1HH2      ARG  98   8.209   3.186   8.314
  629   HH22  ARG  98          2HH2      ARG  98   6.838   4.009   7.608
  630    H    ARG  99           H        ARG  99  12.872   7.619   2.031
  631    HA   ARG  99           HA       ARG  99  15.764   7.933   1.470
  632    HB2  ARG  99           1HB      ARG  99  13.935   8.497  -0.175
  633    HB3  ARG  99           2HB      ARG  99  13.490   9.858   0.847
  634    HG2  ARG  99           1HG      ARG  99  16.264   9.446  -0.351
  635    HG3  ARG  99           2HG      ARG  99  14.966  10.343  -1.144
  636    HD2  ARG  99           1HD      ARG  99  14.888  11.922   0.790
  637    HD3  ARG  99           2HD      ARG  99  16.296  11.092   1.489
  638    HE   ARG  99           HE       ARG  99  16.959  11.779  -1.160
  639   HH11  ARG  99          1HH1      ARG  99  16.287  13.508   1.856
  640   HH12  ARG  99          2HH1      ARG  99  17.305  14.848   1.418
  641   HH21  ARG  99          1HH2      ARG  99  18.247  13.542  -1.663
  642   HH22  ARG  99          2HH2      ARG  99  18.393  14.866  -0.548
  643    H    ALA 100           H        ALA 100  16.864   8.364   3.252
  644    HA   ALA 100           HA       ALA 100  17.649   9.251   5.187
  645    HB1  ALA 100           1HB      ALA 100  17.496  11.393   3.885
  646    HB2  ALA 100           2HB      ALA 100  15.915  11.696   4.643
  647    HB3  ALA 100           3HB      ALA 100  17.381  11.602   5.634
  648    H    GLN 101           H        GLN 101  16.473  10.703   7.277
  649    HA   GLN 101           HA       GLN 101  14.826   8.619   8.498
  650    HB2  GLN 101           1HB      GLN 101  15.816  11.309   9.530
  651    HB3  GLN 101           2HB      GLN 101  14.875  10.150  10.480
  652    HG2  GLN 101           1HG      GLN 101  16.653   8.437  10.174
  653    HG3  GLN 101           2HG      GLN 101  17.611   9.591   9.246
  654   HE21  GLN 101          2HE2      GLN 101  19.152   8.810  11.120
  655   HE22  GLN 101          1HE2      GLN 101  19.130   9.840  12.544
  656    HA   PRO 102           HA       PRO 102  11.014  10.610   7.285
  657    HB2  PRO 102           1HB      PRO 102   9.174   9.151   8.664
  658    HB3  PRO 102           2HB      PRO 102  10.155   8.454   7.341
  659    HG2  PRO 102           1HG      PRO 102  10.691   8.315  10.332
  660    HG3  PRO 102           2HG      PRO 102  10.663   6.960   9.159
  661    HD2  PRO 102           1HD      PRO 102  12.986   8.185   9.908
  662    HD3  PRO 102           2HD      PRO 102  12.738   7.596   8.235
  663    H    LYS 103           H        LYS 103   9.119  11.720   8.154
  664    HA   LYS 103           HA       LYS 103   9.136  12.724  10.917
  665    HB2  LYS 103           1HB      LYS 103  10.822  14.120   9.719
  666    HB3  LYS 103           2HB      LYS 103   9.575  14.613   8.566
  667    HG2  LYS 103           1HG      LYS 103   8.260  15.614  10.430
  668    HG3  LYS 103           2HG      LYS 103   9.508  15.121  11.581
  669    HD2  LYS 103           1HD      LYS 103   9.911  17.047   9.247
  670    HD3  LYS 103           2HD      LYS 103   9.630  17.520  10.929
  671    HE2  LYS 103           1HE      LYS 103  11.704  16.313  11.610
  672    HE3  LYS 103           2HE      LYS 103  12.011  15.901   9.918
  673    HZ1  LYS 103           3HZ      LYS 103  13.243  17.881  10.578
  674    HZ2  LYS 103           1HZ      LYS 103  12.155  18.286   9.432
  675    HZ3  LYS 103           2HZ      LYS 103  11.877  18.666  10.997
  676    H5'    G 104           H5'        G 104  -4.809  -0.433 -11.503
  677   H5''    G 104          H5"         G 104  -6.251   0.467 -11.016
  678    H4'    G 104           H4'        G 104  -4.775   0.872 -13.659
  679    H3'    G 104           H3'        G 104  -3.728   1.650 -11.246
  680    H2'    G 104           H2'        G 104  -5.598   2.805 -10.413
  681   HO2'    G 104          HO2         G 104  -3.958   4.563 -11.875
  682    H1'    G 104           H1'        G 104  -6.178   4.078 -13.079
  683    H8     G 104           8H         G 104  -7.798   2.158 -10.087
  684    H1     G 104           1H         G 104 -11.513   6.531 -13.012
  685    H21    G 104           1H2        G 104 -10.373   7.390 -14.758
  686    H22    G 104           2H2        G 104  -8.755   6.809 -15.106
  687   HO5'    G 104          H5T         G 104  -5.948  -1.318 -13.240
  688    H5'    U 105           H5'        U 105  -1.930   2.692 -10.384
  689   H5''    U 105          H5"         U 105  -0.846   3.706 -11.335
  690    H4'    U 105           H4'        U 105   0.123   2.961  -9.205
  691    H3'    U 105           H3'        U 105   1.457   3.106 -11.588
  692    H2'    U 105           H2'        U 105   1.195   0.837 -12.143
  693   HO2'    U 105          HO2         U 105   3.677   1.415 -11.275
  694    H1'    U 105           H1'        U 105   1.847   0.067  -9.294
  695    H3     U 105           3H         U 105   1.694  -4.308 -10.582
  696    H5     U 105           5H         U 105  -1.606  -2.649 -12.542
  697    H6     U 105           6H         U 105  -1.037  -0.480 -11.595
  698    H5'    A 106           H5'        A 106   3.252   4.408  -7.345
  699   H5''    A 106          H5"         A 106   3.486   5.804  -8.390
  700    H4'    A 106           H4'        A 106   4.519   6.256  -6.296
  701    H3'    A 106           H3'        A 106   5.909   6.614  -8.621
  702    H2'    A 106           H2'        A 106   6.958   4.489  -8.624
  703   HO2'    A 106          HO2         A 106   8.623   6.408  -7.428
  704    H1'    A 106           H1'        A 106   7.579   4.745  -5.679
  705    H8     A 106           8H         A 106   6.590   2.261  -8.514
  706    H61    A 106           1H6        A 106   8.699  -1.950  -4.342
  707    H62    A 106           2H6        A 106   8.145  -1.801  -6.012
  708    H2     A 106           2H         A 106   8.814   1.917  -2.484
  709    H5'    G 107           H5'        G 107   7.518   8.419  -4.123
  710   H5''    G 107          H5"         G 107   6.839   6.809  -3.873
  711    H4'    G 107           H4'        G 107   5.410   9.049  -2.489
  712    H3'    G 107           H3'        G 107   8.207   8.168  -1.723
  713    H2'    G 107           H2'        G 107   7.582   8.600   0.516
  714   HO2'    G 107          HO2         G 107   6.405  10.665  -0.257
  715    H1'    G 107           H1'        G 107   4.877   7.826   0.114
  716    H8     G 107           8H         G 107   4.568   6.031   1.764
  717    H1     G 107           1H         G 107  10.654   3.973   1.348
  718    H21    G 107           1H2        G 107  11.703   5.090  -0.256
  719    H22    G 107           2H2        G 107  10.824   6.253  -1.247
  720    H5'    U 108           H5'        U 108  10.980  11.570   0.486
  721   H5''    U 108          H5"         U 108  11.388   9.912   0.024
  722    H4'    U 108           H4'        U 108  11.668  10.138   2.398
  723    H3'    U 108           H3'        U 108   9.824   8.195   1.331
  724   HO3'    U 108          H3T         U 108  10.522   7.481   3.673
  725    H2'    U 108           H2'        U 108   7.982   8.975   2.511
  726   HO2'    U 108          HO2         U 108   7.806   8.023   4.559
  727    H1'    U 108           H1'        U 108   9.815  10.099   4.637
  728    H3     U 108           3H         U 108   6.673  12.524   6.812
  729    H5     U 108           5H         U 108   5.064  12.205   2.941
  730    H6     U 108           6H         U 108   7.053  10.987   2.254
  Start of MODEL    8
    1    H    CYS  20           1H       CYS  20  10.466  -4.417   6.647
    2    HA   CYS  20           HA       CYS  20   9.000  -6.316   6.485
    3    HB2  CYS  20           1HB      CYS  20   7.663  -5.234   9.013
    4    HB3  CYS  20           2HB      CYS  20   7.244  -6.696   8.128
    5    HG   CYS  20           HG       CYS  20   8.437  -7.229  10.453
    6    H    LYS  21           H        LYS  21   8.909  -4.554   4.656
    7    HA   LYS  21           HA       LYS  21   6.298  -3.142   4.759
    8    HB2  LYS  21           1HB      LYS  21   8.071  -1.636   5.674
    9    HB3  LYS  21           2HB      LYS  21   8.926  -1.728   4.131
   10    HG2  LYS  21           1HG      LYS  21   7.111  -0.621   2.972
   11    HG3  LYS  21           2HG      LYS  21   6.029  -0.813   4.358
   12    HD2  LYS  21           1HD      LYS  21   7.438   0.745   5.679
   13    HD3  LYS  21           2HD      LYS  21   8.505   0.961   4.275
   14    HE2  LYS  21           1HE      LYS  21   6.711   1.883   2.945
   15    HE3  LYS  21           2HE      LYS  21   5.493   1.460   4.163
   16    HZ1  LYS  21           3HZ      LYS  21   6.341   3.844   4.038
   17    HZ2  LYS  21           1HZ      LYS  21   6.170   3.188   5.531
   18    HZ3  LYS  21           2HZ      LYS  21   7.667   3.322   4.830
   19    H    MET  22           H        MET  22   5.346  -2.597   2.879
   20    HA   MET  22           HA       MET  22   6.410  -3.734   0.334
   21    HB2  MET  22           1HB      MET  22   3.684  -4.274   1.586
   22    HB3  MET  22           2HB      MET  22   4.217  -4.804  -0.013
   23    HG2  MET  22           1HG      MET  22   6.098  -6.071   1.111
   24    HG3  MET  22           2HG      MET  22   5.409  -5.612   2.662
   25    HE1  MET  22           3HE      MET  22   3.927  -8.714  -0.339
   26    HE2  MET  22           1HE      MET  22   3.725  -7.006  -0.784
   27    HE3  MET  22           2HE      MET  22   5.343  -7.653  -0.428
   28    H    PHE  23           H        PHE  23   5.844  -2.763  -1.439
   29    HA   PHE  23           HA       PHE  23   4.250  -0.258  -1.511
   30    HB2  PHE  23           1HB      PHE  23   6.326  -0.190  -2.733
   31    HB3  PHE  23           2HB      PHE  23   6.055  -1.780  -3.433
   32    HD1  PHE  23           1HD      PHE  23   4.394  -2.123  -5.244
   33    HD2  PHE  23           2HD      PHE  23   5.312   1.807  -3.743
   34    HE1  PHE  23           1HE      PHE  23   3.368  -1.112  -7.265
   35    HE2  PHE  23           2HE      PHE  23   4.311   2.801  -5.772
   36    HZ   PHE  23           HZ       PHE  23   3.335   1.366  -7.535
   37    H    ILE  24           H        ILE  24   2.232  -0.233  -2.470
   38    HA   ILE  24           HA       ILE  24   1.055  -2.874  -3.313
   39    HB   ILE  24           HB       ILE  24  -0.491  -0.650  -1.959
   40   HG12  ILE  24          1HG1      ILE  24   1.130  -1.249  -0.281
   41   HG13  ILE  24          2HG1      ILE  24  -0.481  -1.786   0.130
   42   HG21  ILE  24          1HG2      ILE  24  -1.741  -2.298  -3.301
   43   HG22  ILE  24          2HG2      ILE  24  -1.049  -3.620  -2.357
   44   HG23  ILE  24          3HG2      ILE  24  -2.121  -2.443  -1.577
   45   HD11  ILE  24          3HD1      ILE  24   1.329  -3.401   0.740
   46   HD12  ILE  24          1HD1      ILE  24   0.086  -4.099  -0.300
   47   HD13  ILE  24          2HD1      ILE  24   1.664  -3.649  -0.978
   48    H    GLY  25           H        GLY  25   1.164  -2.653  -5.524
   49    HA2  GLY  25           1HA      GLY  25   0.261  -0.148  -6.846
   50    HA3  GLY  25           2HA      GLY  25   0.971  -1.584  -7.610
   51    H    GLY  26           H        GLY  26  -1.165  -0.415  -8.789
   52    HA2  GLY  26           1HA      GLY  26  -2.974  -1.210  -9.970
   53    HA3  GLY  26           2HA      GLY  26  -2.835  -2.750  -9.101
   54    H    LEU  27           H        LEU  27  -3.274   0.105  -7.164
   55    HA   LEU  27           HA       LEU  27  -5.737  -0.906  -6.008
   56    HB2  LEU  27           1HB      LEU  27  -4.381   1.812  -5.730
   57    HB3  LEU  27           2HB      LEU  27  -5.697   1.227  -4.736
   58    HG   LEU  27           HG       LEU  27  -2.872   0.088  -4.790
   59   HD11  LEU  27          1HD1      LEU  27  -3.237   2.292  -3.640
   60   HD12  LEU  27          2HD1      LEU  27  -4.458   1.536  -2.619
   61   HD13  LEU  27          3HD1      LEU  27  -2.766   0.996  -2.522
   62   HD21  LEU  27          3HD2      LEU  27  -3.788  -1.224  -2.764
   63   HD22  LEU  27          1HD2      LEU  27  -5.391  -0.932  -3.463
   64   HD23  LEU  27          2HD2      LEU  27  -4.145  -1.796  -4.393
   65    H    SER  28           H        SER  28  -7.681   0.467  -5.741
   66    HA   SER  28           HA       SER  28  -8.689   1.502  -8.336
   67    HB2  SER  28           1HB      SER  28 -10.146   0.054  -6.989
   68    HB3  SER  28           2HB      SER  28  -9.973   1.135  -5.603
   69    HG   SER  28           HG       SER  28 -11.907   1.450  -6.751
   70    H    TRP  29           H        TRP  29  -9.380   3.676  -8.600
   71    HA   TRP  29           HA       TRP  29  -8.104   5.775  -7.101
   72    HB2  TRP  29           1HB      TRP  29 -10.411   5.689  -9.048
   73    HB3  TRP  29           2HB      TRP  29  -9.838   7.185  -8.310
   74    HD1  TRP  29           HD       TRP  29  -6.766   5.400  -8.925
   75    HE1  TRP  29           1HE      TRP  29  -5.694   5.999 -11.146
   76    HE3  TRP  29           3HE      TRP  29 -10.776   7.684 -11.150
   77    HZ2  TRP  29           2HZ      TRP  29  -6.418   7.455 -13.552
   78    HZ3  TRP  29           3HZ      TRP  29 -10.556   8.653 -13.425
   79    HH2  TRP  29           HH       TRP  29  -8.385   8.553 -14.629
   80    H    GLN  30           H        GLN  30 -10.771   3.811  -6.253
   81    HA   GLN  30           HA       GLN  30 -11.811   5.781  -4.271
   82    HB2  GLN  30           1HB      GLN  30 -12.786   2.963  -4.773
   83    HB3  GLN  30           2HB      GLN  30 -13.617   4.262  -3.927
   84    HG2  GLN  30           1HG      GLN  30 -13.725   5.530  -6.119
   85    HG3  GLN  30           2HG      GLN  30 -13.092   4.084  -6.924
   86   HE21  GLN  30          2HE2      GLN  30 -14.442   1.927  -6.064
   87   HE22  GLN  30          1HE2      GLN  30 -16.178   2.182  -6.212
   88    H    THR  31           H        THR  31  -9.308   3.437  -4.330
   89    HA   THR  31           HA       THR  31  -9.753   2.208  -1.758
   90    HB   THR  31           HB       THR  31  -7.162   2.524  -3.332
   91    HG1  THR  31           1HG      THR  31  -9.066   0.409  -3.217
   92   HG21  THR  31          3HG2      THR  31  -6.575   0.395  -2.082
   93   HG22  THR  31          1HG2      THR  31  -6.623   1.840  -1.072
   94   HG23  THR  31          2HG2      THR  31  -7.973   0.681  -1.034
   95    H    THR  32           H        THR  32  -9.084   2.749   0.230
   96    HA   THR  32           HA       THR  32  -7.483   5.233   0.670
   97    HB   THR  32           HB       THR  32  -8.702   5.583   2.748
   98    HG1  THR  32           1HG      THR  32 -10.587   4.228   3.092
   99   HG21  THR  32          3HG2      THR  32 -10.863   6.261   1.911
  100   HG22  THR  32          1HG2      THR  32  -9.659   6.566   0.646
  101   HG23  THR  32          2HG2      THR  32 -10.742   5.162   0.522
  102    H    GLN  33           H        GLN  33  -6.251   5.184   2.702
  103    HA   GLN  33           HA       GLN  33  -4.793   2.705   3.013
  104    HB2  GLN  33           1HB      GLN  33  -3.569   3.955   4.796
  105    HB3  GLN  33           2HB      GLN  33  -3.581   4.632   3.178
  106    HG2  GLN  33           1HG      GLN  33  -5.404   6.245   3.952
  107    HG3  GLN  33           2HG      GLN  33  -5.064   5.684   5.595
  108   HE21  GLN  33          2HE2      GLN  33  -3.691   7.219   6.609
  109   HE22  GLN  33          1HE2      GLN  33  -2.413   8.075   5.762
  110    H    GLU  34           H        GLU  34  -7.572   3.961   4.677
  111    HA   GLU  34           HA       GLU  34  -7.456   2.021   6.870
  112    HB2  GLU  34           1HB      GLU  34  -9.781   3.597   5.685
  113    HB3  GLU  34           2HB      GLU  34  -9.878   2.560   7.115
  114    HG2  GLU  34           1HG      GLU  34  -8.150   3.956   8.243
  115    HG3  GLU  34           2HG      GLU  34  -8.112   5.032   6.843
  116    H    GLY  35           H        GLY  35  -8.804   2.104   3.547
  117    HA2  GLY  35           1HA      GLY  35 -10.051  -0.496   3.598
  118    HA3  GLY  35           2HA      GLY  35  -9.567   0.439   2.163
  119    H    LEU  36           H        LEU  36  -6.729   0.618   2.761
  120    HA   LEU  36           HA       LEU  36  -5.751  -1.982   2.054
  121    HB2  LEU  36           1HB      LEU  36  -4.167   0.243   3.441
  122    HB3  LEU  36           2HB      LEU  36  -3.511  -1.167   2.645
  123    HG   LEU  36           HG       LEU  36  -4.844   1.211   1.329
  124   HD11  LEU  36          1HD1      LEU  36  -2.448   1.394   1.975
  125   HD12  LEU  36          2HD1      LEU  36  -2.091  -0.049   1.001
  126   HD13  LEU  36          3HD1      LEU  36  -2.676   1.426   0.215
  127   HD21  LEU  36          3HD2      LEU  36  -4.434   0.048  -0.829
  128   HD22  LEU  36          1HD2      LEU  36  -4.085  -1.449   0.064
  129   HD23  LEU  36          2HD2      LEU  36  -5.699  -0.694   0.146
  130    H    ARG  37           H        ARG  37  -5.759  -0.387   5.308
  131    HA   ARG  37           HA       ARG  37  -4.726  -2.653   6.676
  132    HB2  ARG  37           1HB      ARG  37  -4.988  -0.402   7.676
  133    HB3  ARG  37           2HB      ARG  37  -6.747  -0.586   7.669
  134    HG2  ARG  37           1HG      ARG  37  -6.583  -2.502   9.229
  135    HG3  ARG  37           2HG      ARG  37  -4.816  -2.413   9.162
  136    HD2  ARG  37           1HD      ARG  37  -5.035  -0.026  10.018
  137    HD3  ARG  37           2HD      ARG  37  -6.753  -0.351  10.248
  138    HE   ARG  37           HE       ARG  37  -6.172  -2.145  11.827
  139   HH11  ARG  37          1HH1      ARG  37  -3.613   0.253  11.297
  140   HH12  ARG  37          2HH1      ARG  37  -2.801  -0.173  12.774
  141   HH21  ARG  37          1HH2      ARG  37  -5.087  -2.604  13.718
  142   HH22  ARG  37          2HH2      ARG  37  -3.637  -1.741  14.129
  143    H    GLU  38           H        GLU  38  -8.090  -1.910   5.793
  144    HA   GLU  38           HA       GLU  38  -9.344  -4.049   7.072
  145    HB2  GLU  38           1HB      GLU  38 -10.210  -1.960   5.566
  146    HB3  GLU  38           2HB      GLU  38 -10.380  -3.241   4.363
  147    HG2  GLU  38           1HG      GLU  38 -11.695  -4.553   6.059
  148    HG3  GLU  38           2HG      GLU  38 -11.513  -3.194   7.179
  149    H    TYR  39           H        TYR  39  -7.656  -4.054   3.930
  150    HA   TYR  39           HA       TYR  39  -8.357  -6.857   3.344
  151    HB2  TYR  39           1HB      TYR  39  -8.200  -5.089   1.612
  152    HB3  TYR  39           2HB      TYR  39  -6.479  -4.924   1.939
  153    HD1  TYR  39           2HD      TYR  39  -9.104  -7.405   0.930
  154    HD2  TYR  39           1HD      TYR  39  -4.915  -6.387   0.864
  155    HE1  TYR  39           2HE      TYR  39  -8.656  -9.371  -0.518
  156    HE2  TYR  39           1HE      TYR  39  -4.459  -8.337  -0.597
  157    HH   TYR  39           HH       TYR  39  -7.072 -10.628  -1.570
  158    H    PHE  40           H        PHE  40  -5.491  -5.035   4.412
  159    HA   PHE  40           HA       PHE  40  -3.800  -7.383   4.250
  160    HB2  PHE  40           1HB      PHE  40  -3.322  -4.479   4.866
  161    HB3  PHE  40           2HB      PHE  40  -2.072  -5.650   5.160
  162    HD1  PHE  40           2HD      PHE  40  -1.715  -7.443   3.135
  163    HD2  PHE  40           1HD      PHE  40  -3.451  -3.529   2.660
  164    HE1  PHE  40           2HE      PHE  40  -1.300  -7.547   0.697
  165    HE2  PHE  40           1HE      PHE  40  -3.034  -3.638   0.229
  166    HZ   PHE  40           HZ       PHE  40  -1.961  -5.648  -0.765
  167    H    GLY  41           H        GLY  41  -5.670  -6.066   6.832
  168    HA2  GLY  41           1HA      GLY  41  -4.315  -7.246   9.050
  169    HA3  GLY  41           2HA      GLY  41  -6.049  -6.882   8.946
  170    H    GLN  42           H        GLN  42  -5.794  -8.850   6.422
  171    HA   GLN  42           HA       GLN  42  -6.627 -11.300   7.760
  172    HB2  GLN  42           1HB      GLN  42  -5.829 -10.807   4.855
  173    HB3  GLN  42           2HB      GLN  42  -6.701 -12.209   5.479
  174    HG2  GLN  42           1HG      GLN  42  -8.598 -10.719   6.136
  175    HG3  GLN  42           2HG      GLN  42  -7.731  -9.343   5.453
  176   HE21  GLN  42          2HE2      GLN  42  -7.219  -9.418   3.082
  177   HE22  GLN  42          1HE2      GLN  42  -8.320 -10.308   2.031
  178    H    PHE  43           H        PHE  43  -3.561 -10.039   6.603
  179    HA   PHE  43           HA       PHE  43  -2.253 -12.714   6.703
  180    HB2  PHE  43           1HB      PHE  43  -1.208 -10.065   5.638
  181    HB3  PHE  43           2HB      PHE  43  -0.501 -11.650   5.408
  182    HD1  PHE  43           2HD      PHE  43  -1.639 -13.332   3.908
  183    HD2  PHE  43           1HD      PHE  43  -3.099  -9.320   4.314
  184    HE1  PHE  43           2HE      PHE  43  -3.018 -13.633   1.868
  185    HE2  PHE  43           1HE      PHE  43  -4.479  -9.599   2.269
  186    HZ   PHE  43           HZ       PHE  43  -4.457 -11.773   1.054
  187    H    GLY  44           H        GLY  44  -2.145  -9.521   8.255
  188    HA2  GLY  44           1HA      GLY  44  -1.112 -10.525  10.705
  189    HA3  GLY  44           2HA      GLY  44   0.216  -9.801   9.815
  190    H    GLU  45           H        GLU  45  -0.511  -8.732  12.234
  191    HA   GLU  45           HA       GLU  45  -2.307  -6.476  11.986
  192    HB2  GLU  45           1HB      GLU  45  -1.735  -7.523  14.141
  193    HB3  GLU  45           2HB      GLU  45  -0.059  -6.976  13.981
  194    HG2  GLU  45           1HG      GLU  45  -0.749  -4.642  14.107
  195    HG3  GLU  45           2HG      GLU  45  -2.452  -5.087  13.971
  196    H    VAL  46           H        VAL  46  -1.929  -4.539  11.019
  197    HA   VAL  46           HA       VAL  46   0.668  -4.092   9.775
  198    HB   VAL  46           HB       VAL  46  -0.281  -2.378   8.485
  199   HG11  VAL  46          1HG1      VAL  46  -0.826  -4.720   7.817
  200   HG12  VAL  46          2HG1      VAL  46  -2.387  -4.567   8.660
  201   HG13  VAL  46          3HG1      VAL  46  -2.026  -3.536   7.270
  202   HG21  VAL  46          3HG2      VAL  46  -2.678  -1.701   8.675
  203   HG22  VAL  46          1HG2      VAL  46  -2.720  -2.479  10.269
  204   HG23  VAL  46          2HG2      VAL  46  -1.633  -1.094   9.953
  205    H    LYS  47           H        LYS  47   2.087  -2.558  10.175
  206    HA   LYS  47           HA       LYS  47   2.019  -1.054  12.727
  207    HB2  LYS  47           1HB      LYS  47   3.931  -2.472  11.999
  208    HB3  LYS  47           2HB      LYS  47   4.177  -1.423  10.602
  209    HG2  LYS  47           1HG      LYS  47   4.664   0.488  12.102
  210    HG3  LYS  47           2HG      LYS  47   4.366  -0.532  13.514
  211    HD2  LYS  47           1HD      LYS  47   6.578  -0.920  11.445
  212    HD3  LYS  47           2HD      LYS  47   6.768  -0.212  13.055
  213    HE2  LYS  47           1HE      LYS  47   5.972  -2.379  14.061
  214    HE3  LYS  47           2HE      LYS  47   5.933  -3.079  12.434
  215    HZ1  LYS  47           3HZ      LYS  47   8.008  -3.597  13.568
  216    HZ2  LYS  47           1HZ      LYS  47   8.322  -2.660  12.266
  217    HZ3  LYS  47           2HZ      LYS  47   8.359  -2.016  13.770
  218    H    GLU  48           H        GLU  48   1.662  -0.484   9.303
  219    HA   GLU  48           HA       GLU  48   0.825   2.279   9.589
  220    HB2  GLU  48           1HB      GLU  48   3.229   2.669   9.736
  221    HB3  GLU  48           2HB      GLU  48   3.535   1.618   8.362
  222    HG2  GLU  48           1HG      GLU  48   2.394   3.219   6.855
  223    HG3  GLU  48           2HG      GLU  48   2.071   4.276   8.236
  224    H    CYS  49           H        CYS  49  -0.519   2.748   7.900
  225    HA   CYS  49           HA       CYS  49  -0.270   1.252   5.334
  226    HB2  CYS  49           1HB      CYS  49  -2.813   1.837   6.902
  227    HB3  CYS  49           2HB      CYS  49  -2.807   1.565   5.152
  228    HG   CYS  49           HG       CYS  49  -3.555  -0.631   6.281
  229    H    LEU  50           H        LEU  50  -0.419   2.571   3.518
  230    HA   LEU  50           HA       LEU  50  -1.063   5.465   3.822
  231    HB2  LEU  50           1HB      LEU  50   1.512   4.215   2.827
  232    HB3  LEU  50           2HB      LEU  50   1.022   5.824   2.330
  233    HG   LEU  50           HG       LEU  50   1.604   5.003   5.200
  234   HD11  LEU  50          1HD1      LEU  50   3.599   5.039   3.733
  235   HD12  LEU  50          2HD1      LEU  50   3.185   6.678   3.183
  236   HD13  LEU  50          3HD1      LEU  50   3.633   6.387   4.881
  237   HD21  LEU  50          3HD2      LEU  50   1.560   7.477   5.614
  238   HD22  LEU  50          1HD2      LEU  50   0.958   7.724   3.959
  239   HD23  LEU  50          2HD2      LEU  50  -0.026   6.853   5.157
  240    H    VAL  51           H        VAL  51  -1.969   6.394   2.069
  241    HA   VAL  51           HA       VAL  51  -1.705   5.088  -0.614
  242    HB   VAL  51           HB       VAL  51  -4.280   6.189   0.586
  243   HG11  VAL  51          1HG1      VAL  51  -4.105   7.086  -1.697
  244   HG12  VAL  51          2HG1      VAL  51  -3.687   5.477  -2.326
  245   HG13  VAL  51          3HG1      VAL  51  -5.302   5.798  -1.656
  246   HG21  VAL  51          3HG2      VAL  51  -5.184   3.978  -0.102
  247   HG22  VAL  51          1HG2      VAL  51  -3.573   3.494  -0.665
  248   HG23  VAL  51          2HG2      VAL  51  -3.865   3.808   1.060
  249    H    MET  52           H        MET  52  -1.011   6.427  -2.110
  250    HA   MET  52           HA       MET  52  -0.157   9.112  -1.242
  251    HB2  MET  52           1HB      MET  52   0.574   7.321  -3.584
  252    HB3  MET  52           2HB      MET  52   1.295   8.912  -3.283
  253    HG2  MET  52           1HG      MET  52   1.415   6.663  -1.241
  254    HG3  MET  52           2HG      MET  52   2.636   6.953  -2.458
  255    HE1  MET  52           3HE      MET  52   2.322   8.848   1.559
  256    HE2  MET  52           1HE      MET  52   0.871   8.273   0.704
  257    HE3  MET  52           2HE      MET  52   2.232   7.161   0.998
  258    H    ARG  53           H        ARG  53  -2.843   9.205  -1.569
  259    HA   ARG  53           HA       ARG  53  -3.694   9.784  -4.216
  260    HB2  ARG  53           1HB      ARG  53  -5.814  10.420  -3.280
  261    HB3  ARG  53           2HB      ARG  53  -5.221   8.988  -2.449
  262    HG2  ARG  53           1HG      ARG  53  -4.494  10.417  -0.531
  263    HG3  ARG  53           2HG      ARG  53  -5.155  11.836  -1.374
  264    HD2  ARG  53           1HD      ARG  53  -7.394  10.778  -1.406
  265    HD3  ARG  53           2HD      ARG  53  -6.741   9.378  -0.528
  266    HE   ARG  53           HE       ARG  53  -6.089  11.667   0.976
  267   HH11  ARG  53          1HH1      ARG  53  -9.067   9.994   0.041
  268   HH12  ARG  53          2HH1      ARG  53  -9.923  10.543   1.450
  269   HH21  ARG  53          1HH2      ARG  53  -7.256  12.337   2.770
  270   HH22  ARG  53          2HH2      ARG  53  -8.910  11.847   2.972
  271    H    ASP  54           H        ASP  54  -4.416  11.658  -5.206
  272    HA   ASP  54           HA       ASP  54  -2.931  14.124  -4.714
  273    HB2  ASP  54           1HB      ASP  54  -3.465  13.275  -6.974
  274    HB3  ASP  54           2HB      ASP  54  -5.188  13.436  -6.635
  275    HA   PRO  55           HA       PRO  55  -6.167  15.369  -1.873
  276    HB2  PRO  55           1HB      PRO  55  -5.246  17.791  -1.018
  277    HB3  PRO  55           2HB      PRO  55  -4.409  16.254  -0.639
  278    HG2  PRO  55           1HG      PRO  55  -3.779  18.211  -2.874
  279    HG3  PRO  55           2HG      PRO  55  -2.648  17.490  -1.688
  280    HD2  PRO  55           1HD      PRO  55  -3.001  16.458  -4.203
  281    HD3  PRO  55           2HD      PRO  55  -2.671  15.413  -2.788
  282    H    LEU  56           H        LEU  56  -5.702  17.018  -4.902
  283    HA   LEU  56           HA       LEU  56  -8.018  18.845  -4.479
  284    HB2  LEU  56           1HB      LEU  56  -5.883  18.537  -6.616
  285    HB3  LEU  56           2HB      LEU  56  -7.403  19.326  -6.970
  286    HG   LEU  56           HG       LEU  56  -7.025  20.987  -5.191
  287   HD11  LEU  56          1HD1      LEU  56  -5.578  19.816  -3.617
  288   HD12  LEU  56          2HD1      LEU  56  -4.311  19.635  -4.856
  289   HD13  LEU  56          3HD1      LEU  56  -4.731  21.239  -4.218
  290   HD21  LEU  56          3HD2      LEU  56  -5.254  22.227  -6.379
  291   HD22  LEU  56          1HD2      LEU  56  -4.733  20.733  -7.189
  292   HD23  LEU  56          2HD2      LEU  56  -6.338  21.421  -7.524
  293    H    THR  57           H        THR  57  -7.016  16.016  -6.474
  294    HA   THR  57           HA       THR  57  -9.784  15.869  -7.592
  295    HB   THR  57           HB       THR  57  -8.864  14.591  -9.378
  296    HG1  THR  57           1HG      THR  57  -6.566  14.165  -9.355
  297   HG21  THR  57          3HG2      THR  57  -7.344  16.145 -10.416
  298   HG22  THR  57          1HG2      THR  57  -8.533  17.074  -9.487
  299   HG23  THR  57          2HG2      THR  57  -6.887  16.849  -8.852
  300    H    LYS  58           H        LYS  58  -7.935  14.369  -5.233
  301    HA   LYS  58           HA       LYS  58  -8.236  12.687  -3.819
  302    HB2  LYS  58           1HB      LYS  58 -11.052  12.736  -4.960
  303    HB3  LYS  58           2HB      LYS  58 -10.569  11.607  -3.714
  304    HG2  LYS  58           1HG      LYS  58 -11.668  13.526  -2.755
  305    HG3  LYS  58           2HG      LYS  58 -10.015  13.375  -2.164
  306    HD2  LYS  58           1HD      LYS  58  -9.280  15.246  -3.504
  307    HD3  LYS  58           2HD      LYS  58 -10.830  15.298  -4.383
  308    HE2  LYS  58           1HE      LYS  58 -12.006  15.925  -2.327
  309    HE3  LYS  58           2HE      LYS  58 -10.519  15.755  -1.382
  310    HZ1  LYS  58           3HZ      LYS  58 -10.997  18.077  -1.994
  311    HZ2  LYS  58           1HZ      LYS  58  -9.558  17.580  -2.594
  312    HZ3  LYS  58           2HZ      LYS  58 -10.861  17.713  -3.587
  313    H    ARG  59           H        ARG  59  -7.792  12.105  -6.967
  314    HA   ARG  59           HA       ARG  59  -8.108   9.245  -7.261
  315    HB2  ARG  59           1HB      ARG  59  -6.405  11.361  -8.614
  316    HB3  ARG  59           2HB      ARG  59  -6.100   9.654  -8.906
  317    HG2  ARG  59           1HG      ARG  59  -7.528  10.501 -10.646
  318    HG3  ARG  59           2HG      ARG  59  -8.380   9.294  -9.678
  319    HD2  ARG  59           1HD      ARG  59  -9.632  11.027  -8.513
  320    HD3  ARG  59           2HD      ARG  59  -8.720  12.292  -9.370
  321    HE   ARG  59           HE       ARG  59  -9.875  10.639 -11.327
  322   HH11  ARG  59          1HH1      ARG  59 -11.052  12.817  -8.787
  323   HH12  ARG  59          2HH1      ARG  59 -12.513  13.188  -9.661
  324   HH21  ARG  59          1HH2      ARG  59 -11.779  11.175 -12.402
  325   HH22  ARG  59          2HH2      ARG  59 -12.915  12.271 -11.677
  326    H    SER  60           H        SER  60  -7.000   7.614  -6.467
  327    HA   SER  60           HA       SER  60  -5.040   7.916  -4.378
  328    HB2  SER  60           1HB      SER  60  -5.118   5.492  -4.329
  329    HB3  SER  60           2HB      SER  60  -6.765   6.111  -4.582
  330    HG   SER  60           HG       SER  60  -6.445   4.486  -6.048
  331    H    ARG  61           H        ARG  61  -4.583   8.105  -7.695
  332    HA   ARG  61           HA       ARG  61  -2.897   7.880  -9.176
  333    HB2  ARG  61           1HB      ARG  61  -1.014   7.622  -6.791
  334    HB3  ARG  61           2HB      ARG  61  -0.534   7.784  -8.472
  335    HG2  ARG  61           1HG      ARG  61  -1.619  10.003  -8.611
  336    HG3  ARG  61           2HG      ARG  61  -2.129   9.862  -6.922
  337    HD2  ARG  61           1HD      ARG  61  -0.134  11.240  -7.035
  338    HD3  ARG  61           2HD      ARG  61   0.226   9.723  -6.204
  339    HE   ARG  61           HE       ARG  61   0.823   9.868  -9.104
  340   HH11  ARG  61          1HH1      ARG  61   2.256  10.065  -5.839
  341   HH12  ARG  61          2HH1      ARG  61   3.806   9.499  -6.462
  342   HH21  ARG  61          1HH2      ARG  61   2.938   9.199  -9.712
  343   HH22  ARG  61          2HH2      ARG  61   4.155   9.073  -8.445
  344    H    GLY  62           H        GLY  62  -4.162   5.432  -7.524
  345    HA2  GLY  62           1HA      GLY  62  -4.378   3.210  -8.047
  346    HA3  GLY  62           2HA      GLY  62  -3.118   3.376  -9.288
  347    H    PHE  63           H        PHE  63  -2.135   4.412  -6.083
  348    HA   PHE  63           HA       PHE  63  -1.219   1.772  -5.317
  349    HB2  PHE  63           1HB      PHE  63   1.068   1.956  -5.652
  350    HB3  PHE  63           2HB      PHE  63   0.420   2.602  -7.138
  351    HD1  PHE  63           1HD      PHE  63   0.355   5.164  -7.428
  352    HD2  PHE  63           2HD      PHE  63   2.400   3.241  -4.157
  353    HE1  PHE  63           1HE      PHE  63   1.563   7.267  -6.941
  354    HE2  PHE  63           2HE      PHE  63   3.641   5.333  -3.711
  355    HZ   PHE  63           HZ       PHE  63   3.204   7.358  -5.048
  356    H    GLY  64           H        GLY  64   0.071   1.665  -3.425
  357    HA2  GLY  64           1HA      GLY  64   0.409   3.989  -1.661
  358    HA3  GLY  64           2HA      GLY  64  -0.775   2.819  -1.108
  359    H    PHE  65           H        PHE  65   0.553   2.461   0.721
  360    HA   PHE  65           HA       PHE  65   2.655   0.414   0.354
  361    HB2  PHE  65           1HB      PHE  65   3.059   3.062   1.793
  362    HB3  PHE  65           2HB      PHE  65   4.023   1.650   2.138
  363    HD1  PHE  65           2HD      PHE  65   3.313   4.274  -0.397
  364    HD2  PHE  65           1HD      PHE  65   5.730   0.843   0.644
  365    HE1  PHE  65           2HE      PHE  65   4.988   4.924  -2.086
  366    HE2  PHE  65           1HE      PHE  65   7.388   1.499  -1.072
  367    HZ   PHE  65           HZ       PHE  65   7.020   3.562  -2.435
  368    H    VAL  66           H        VAL  66   2.914  -0.944   2.137
  369    HA   VAL  66           HA       VAL  66   1.349  -0.407   4.609
  370    HB   VAL  66           HB       VAL  66   1.069  -2.991   3.027
  371   HG11  VAL  66          1HG1      VAL  66   1.177  -3.579   5.400
  372   HG12  VAL  66          2HG1      VAL  66   0.031  -2.283   5.808
  373   HG13  VAL  66          3HG1      VAL  66  -0.498  -3.685   4.858
  374   HG21  VAL  66          3HG2      VAL  66  -1.357  -2.416   3.059
  375   HG22  VAL  66          1HG2      VAL  66  -0.972  -0.869   3.837
  376   HG23  VAL  66          2HG2      VAL  66  -0.408  -1.206   2.203
  377    H    THR  67           H        THR  67   2.327  -1.014   6.392
  378    HA   THR  67           HA       THR  67   4.877  -2.603   6.326
  379    HB   THR  67           HB       THR  67   4.117  -0.505   8.386
  380    HG1  THR  67           1HG      THR  67   4.309   0.535   6.417
  381   HG21  THR  67          3HG2      THR  67   6.522  -0.467   8.852
  382   HG22  THR  67          1HG2      THR  67   5.906  -2.118   9.042
  383   HG23  THR  67          2HG2      THR  67   6.815  -1.674   7.588
  384    H    PHE  68           H        PHE  68   5.035  -4.230   7.845
  385    HA   PHE  68           HA       PHE  68   2.568  -4.857   9.431
  386    HB2  PHE  68           1HB      PHE  68   4.667  -6.646   8.175
  387    HB3  PHE  68           2HB      PHE  68   3.450  -7.205   9.313
  388    HD1  PHE  68           2HD      PHE  68   3.953  -5.861   5.884
  389    HD2  PHE  68           1HD      PHE  68   1.126  -7.464   8.718
  390    HE1  PHE  68           2HE      PHE  68   2.329  -6.253   4.045
  391    HE2  PHE  68           1HE      PHE  68  -0.499  -7.837   6.883
  392    HZ   PHE  68           HZ       PHE  68   0.104  -7.244   4.545
  393    H    MET  69           H        MET  69   2.743  -5.717  11.508
  394    HA   MET  69           HA       MET  69   4.936  -4.830  13.190
  395    HB2  MET  69           1HB      MET  69   2.651  -6.777  13.684
  396    HB3  MET  69           2HB      MET  69   3.761  -6.200  14.926
  397    HG2  MET  69           1HG      MET  69   1.890  -4.435  13.300
  398    HG3  MET  69           2HG      MET  69   1.625  -5.000  14.942
  399    HE1  MET  69           3HE      MET  69   2.090  -1.292  15.679
  400    HE2  MET  69           1HE      MET  69   1.124  -2.173  14.471
  401    HE3  MET  69           2HE      MET  69   1.241  -2.785  16.131
  402    H    ASP  70           H        ASP  70   4.506  -7.654  11.255
  403    HA   ASP  70           HA       ASP  70   7.058  -8.828  12.171
  404    HB2  ASP  70           1HB      ASP  70   4.374 -10.277  12.185
  405    HB3  ASP  70           2HB      ASP  70   5.922 -11.110  12.156
  406    H    GLN  71           H        GLN  71   8.110 -10.000  10.582
  407    HA   GLN  71           HA       GLN  71   7.501  -9.471   7.842
  408    HB2  GLN  71           1HB      GLN  71   9.756  -9.922   8.892
  409    HB3  GLN  71           2HB      GLN  71   9.311 -11.611   9.041
  410    HG2  GLN  71           1HG      GLN  71  10.746 -11.319   7.121
  411    HG3  GLN  71           2HG      GLN  71   9.159 -11.822   6.579
  412   HE21  GLN  71          2HE2      GLN  71  10.359 -10.940   4.511
  413   HE22  GLN  71          1HE2      GLN  71  10.060  -9.244   4.166
  414    H    ALA  72           H        ALA  72   6.430 -12.015   9.953
  415    HA   ALA  72           HA       ALA  72   5.764 -14.052   8.107
  416    HB1  ALA  72           1HB      ALA  72   5.766 -14.313  10.569
  417    HB2  ALA  72           2HB      ALA  72   4.348 -13.237  10.685
  418    HB3  ALA  72           3HB      ALA  72   4.213 -14.806   9.866
  419    H    GLY  73           H        GLY  73   4.086 -10.972   8.633
  420    HA2  GLY  73           1HA      GLY  73   1.737 -11.807   7.045
  421    HA3  GLY  73           2HA      GLY  73   2.101 -10.165   7.612
  422    H    VAL  74           H        VAL  74   4.755 -10.053   6.496
  423    HA   VAL  74           HA       VAL  74   4.223  -9.212   3.786
  424    HB   VAL  74           HB       VAL  74   6.852  -9.751   5.222
  425   HG11  VAL  74          1HG1      VAL  74   7.340 -10.015   2.872
  426   HG12  VAL  74          2HG1      VAL  74   6.437  -8.544   2.461
  427   HG13  VAL  74          3HG1      VAL  74   7.940  -8.441   3.394
  428   HG21  VAL  74          3HG2      VAL  74   7.031  -7.289   5.282
  429   HG22  VAL  74          1HG2      VAL  74   5.436  -7.154   4.518
  430   HG23  VAL  74          2HG2      VAL  74   5.602  -7.856   6.145
  431    H    ASP  75           H        ASP  75   5.841 -12.112   5.180
  432    HA   ASP  75           HA       ASP  75   6.521 -13.492   2.867
  433    HB2  ASP  75           1HB      ASP  75   7.047 -14.098   5.256
  434    HB3  ASP  75           2HB      ASP  75   5.401 -14.667   5.451
  435    H    LYS  76           H        LYS  76   3.351 -13.660   4.573
  436    HA   LYS  76           HA       LYS  76   2.139 -15.546   2.800
  437    HB2  LYS  76           1HB      LYS  76   0.920 -13.346   4.511
  438    HB3  LYS  76           2HB      LYS  76   0.015 -14.669   3.745
  439    HG2  LYS  76           1HG      LYS  76   0.993 -16.334   5.123
  440    HG3  LYS  76           2HG      LYS  76   2.248 -15.231   5.715
  441    HD2  LYS  76           1HD      LYS  76   0.440 -13.779   6.697
  442    HD3  LYS  76           2HD      LYS  76  -0.767 -14.989   6.210
  443    HE2  LYS  76           1HE      LYS  76   0.348 -16.662   7.643
  444    HE3  LYS  76           2HE      LYS  76   1.598 -15.474   8.065
  445    HZ1  LYS  76           3HZ      LYS  76  -0.053 -15.534   9.801
  446    HZ2  LYS  76           1HZ      LYS  76  -0.197 -14.091   9.028
  447    HZ3  LYS  76           2HZ      LYS  76  -1.282 -15.284   8.752
  448    H    VAL  77           H        VAL  77   2.277 -11.993   2.639
  449    HA   VAL  77           HA       VAL  77   0.343 -11.784   0.505
  450    HB   VAL  77           HB       VAL  77   2.433  -9.803   1.454
  451   HG11  VAL  77          1HG1      VAL  77   1.780  -9.169  -0.843
  452   HG12  VAL  77          2HG1      VAL  77   0.064  -9.318  -0.410
  453   HG13  VAL  77          3HG1      VAL  77   1.073  -8.056   0.328
  454   HG21  VAL  77          3HG2      VAL  77   0.543  -8.719   2.602
  455   HG22  VAL  77          1HG2      VAL  77  -0.603  -9.875   1.891
  456   HG23  VAL  77          2HG2      VAL  77   0.568 -10.417   3.091
  457    H    LEU  78           H        LEU  78   3.880 -12.249   0.547
  458    HA   LEU  78           HA       LEU  78   4.194 -11.985  -2.350
  459    HB2  LEU  78           1HB      LEU  78   5.919 -13.352  -0.252
  460    HB3  LEU  78           2HB      LEU  78   6.435 -12.898  -1.873
  461    HG   LEU  78           HG       LEU  78   5.531 -10.868   0.222
  462   HD11  LEU  78          1HD1      LEU  78   7.391 -12.162   1.038
  463   HD12  LEU  78          2HD1      LEU  78   8.295 -11.917  -0.474
  464   HD13  LEU  78          3HD1      LEU  78   7.959 -10.530   0.600
  465   HD21  LEU  78          3HD2      LEU  78   6.750  -9.263  -1.198
  466   HD22  LEU  78          1HD2      LEU  78   7.034 -10.540  -2.402
  467   HD23  LEU  78          2HD2      LEU  78   5.375  -9.993  -2.037
  468    H    ALA  79           H        ALA  79   3.811 -14.679  -0.050
  469    HA   ALA  79           HA       ALA  79   4.224 -16.749  -1.923
  470    HB1  ALA  79           1HB      ALA  79   4.459 -16.999   0.517
  471    HB2  ALA  79           2HB      ALA  79   2.703 -16.784   0.722
  472    HB3  ALA  79           3HB      ALA  79   3.336 -18.207  -0.131
  473    H    GLN  80           H        GLN  80   1.284 -14.925  -1.285
  474    HA   GLN  80           HA       GLN  80  -0.457 -16.822  -2.717
  475    HB2  GLN  80           1HB      GLN  80  -1.270 -15.631  -0.745
  476    HB3  GLN  80           2HB      GLN  80  -0.976 -14.071  -1.521
  477    HG2  GLN  80           1HG      GLN  80  -2.659 -14.547  -3.229
  478    HG3  GLN  80           2HG      GLN  80  -2.876 -16.192  -2.632
  479   HE21  GLN  80          2HE2      GLN  80  -4.554 -13.445  -2.765
  480   HE22  GLN  80          1HE2      GLN  80  -5.387 -13.540  -1.211
  481    H    SER  81           H        SER  81  -1.052 -16.692  -4.842
  482    HA   SER  81           HA       SER  81   0.632 -15.133  -6.553
  483    HB2  SER  81           1HB      SER  81  -1.699 -16.927  -7.298
  484    HB3  SER  81           2HB      SER  81  -0.347 -16.442  -8.335
  485    HG   SER  81           HG       SER  81  -0.044 -18.551  -7.453
  486    H    ARG  82           H        ARG  82  -2.408 -14.201  -5.310
  487    HA   ARG  82           HA       ARG  82  -2.726 -12.006  -7.204
  488    HB2  ARG  82           1HB      ARG  82  -3.687 -13.979  -8.425
  489    HB3  ARG  82           2HB      ARG  82  -4.850 -14.196  -7.117
  490    HG2  ARG  82           1HG      ARG  82  -5.839 -11.992  -7.588
  491    HG3  ARG  82           2HG      ARG  82  -4.606 -11.662  -8.815
  492    HD2  ARG  82           1HD      ARG  82  -6.599 -13.962  -8.924
  493    HD3  ARG  82           2HD      ARG  82  -6.844 -12.389  -9.705
  494    HE   ARG  82           HE       ARG  82  -4.359 -13.291 -10.609
  495   HH11  ARG  82          1HH1      ARG  82  -7.700 -14.417 -10.904
  496   HH12  ARG  82          2HH1      ARG  82  -7.398 -15.201 -12.425
  497   HH21  ARG  82          1HH2      ARG  82  -4.034 -14.329 -12.569
  498   HH22  ARG  82          2HH2      ARG  82  -5.351 -15.146 -13.354
  499    H    HIS  83           H        HIS  83  -4.098 -10.398  -6.469
  500    HA   HIS  83           HA       HIS  83  -5.593 -10.716  -3.926
  501    HB2  HIS  83           1HB      HIS  83  -3.329  -8.747  -4.459
  502    HB3  HIS  83           2HB      HIS  83  -4.460  -8.606  -3.110
  503    HD1  HIS  83           1HD      HIS  83  -4.244 -10.563  -1.188
  504    HD2  HIS  83           2HD      HIS  83  -1.290 -10.417  -4.173
  505    HE1  HIS  83           1HE      HIS  83  -2.265 -11.935  -0.316
  506    H    GLU  84           H        GLU  84  -7.165  -8.979  -3.586
  507    HA   GLU  84           HA       GLU  84  -7.739  -7.149  -5.826
  508    HB2  GLU  84           1HB      GLU  84  -8.641  -9.444  -6.450
  509    HB3  GLU  84           2HB      GLU  84  -9.718  -9.324  -5.054
  510    HG2  GLU  84           1HG      GLU  84 -10.615  -7.160  -6.073
  511    HG3  GLU  84           2HG      GLU  84  -9.636  -7.509  -7.502
  512    H    LEU  85           H        LEU  85  -8.714  -5.363  -5.149
  513    HA   LEU  85           HA       LEU  85 -10.313  -5.241  -2.674
  514    HB2  LEU  85           1HB      LEU  85  -8.027  -4.989  -1.857
  515    HB3  LEU  85           2HB      LEU  85  -7.676  -3.785  -3.105
  516    HG   LEU  85           HG       LEU  85  -9.262  -2.204  -2.032
  517   HD11  LEU  85          1HD1      LEU  85 -10.852  -3.691  -0.931
  518   HD12  LEU  85          2HD1      LEU  85  -9.565  -4.418   0.046
  519   HD13  LEU  85          3HD1      LEU  85 -10.038  -2.731   0.316
  520   HD21  LEU  85          3HD2      LEU  85  -7.860  -1.735  -0.066
  521   HD22  LEU  85          1HD2      LEU  85  -7.161  -3.367  -0.151
  522   HD23  LEU  85          2HD2      LEU  85  -6.864  -2.198  -1.457
  523    H    ASP  86           H        ASP  86 -11.934  -3.818  -2.900
  524    HA   ASP  86           HA       ASP  86 -13.507  -2.618  -3.960
  525    HB2  ASP  86           1HB      ASP  86 -11.878  -0.794  -3.382
  526    HB3  ASP  86           2HB      ASP  86 -11.265  -0.875  -5.032
  527    H    SER  87           H        SER  87 -12.725  -4.938  -5.266
  528    HA   SER  87           HA       SER  87 -13.005  -6.141  -7.168
  529    HB2  SER  87           1HB      SER  87 -14.493  -3.728  -8.250
  530    HB3  SER  87           2HB      SER  87 -14.558  -5.385  -8.858
  531    HG   SER  87           HG       SER  87 -16.328  -4.889  -7.454
  532    H    LYS  88           H        LYS  88 -10.610  -4.235  -6.956
  533    HA   LYS  88           HA       LYS  88  -9.733  -4.377  -9.817
  534    HB2  LYS  88           1HB      LYS  88  -9.183  -2.345  -7.623
  535    HB3  LYS  88           2HB      LYS  88  -8.065  -2.548  -8.964
  536    HG2  LYS  88           1HG      LYS  88 -11.010  -2.077  -9.454
  537    HG3  LYS  88           2HG      LYS  88  -9.907  -0.725  -9.136
  538    HD2  LYS  88           1HD      LYS  88  -8.497  -1.454 -11.062
  539    HD3  LYS  88           2HD      LYS  88  -9.684  -2.706 -11.450
  540    HE2  LYS  88           1HE      LYS  88 -10.241   0.300 -11.338
  541    HE3  LYS  88           2HE      LYS  88  -9.902  -0.608 -12.814
  542    HZ1  LYS  88           3HZ      LYS  88 -12.275  -0.341 -12.505
  543    HZ2  LYS  88           1HZ      LYS  88 -11.907  -1.927 -12.390
  544    HZ3  LYS  88           2HZ      LYS  88 -12.239  -1.060 -11.041
  545    H    THR  89           H        THR  89  -8.019  -5.547 -10.219
  546    HA   THR  89           HA       THR  89  -6.917  -7.326  -8.195
  547    HB   THR  89           HB       THR  89  -5.969  -6.940 -11.059
  548    HG1  THR  89           1HG      THR  89  -7.465  -8.594 -11.493
  549   HG21  THR  89          3HG2      THR  89  -5.272  -9.309 -10.821
  550   HG22  THR  89          1HG2      THR  89  -4.456  -8.300  -9.617
  551   HG23  THR  89          2HG2      THR  89  -5.833  -9.315  -9.133
  552    H    ILE  90           H        ILE  90  -5.297  -6.850  -6.851
  553    HA   ILE  90           HA       ILE  90  -3.621  -4.446  -7.449
  554    HB   ILE  90           HB       ILE  90  -3.252  -4.160  -5.125
  555   HG12  ILE  90          1HG1      ILE  90  -4.912  -6.618  -4.529
  556   HG13  ILE  90          2HG1      ILE  90  -3.150  -6.486  -4.384
  557   HG21  ILE  90          1HG2      ILE  90  -5.395  -3.308  -6.190
  558   HG22  ILE  90          2HG2      ILE  90  -6.230  -4.722  -5.513
  559   HG23  ILE  90          3HG2      ILE  90  -5.519  -3.526  -4.443
  560   HD11  ILE  90          3HD1      ILE  90  -4.005  -6.170  -2.198
  561   HD12  ILE  90          1HD1      ILE  90  -3.507  -4.559  -2.773
  562   HD13  ILE  90          2HD1      ILE  90  -5.228  -5.012  -2.746
  563    H    ASP  91           H        ASP  91  -1.425  -4.407  -6.770
  564    HA   ASP  91           HA       ASP  91   0.006  -7.016  -7.135
  565    HB2  ASP  91           1HB      ASP  91  -0.154  -5.773  -9.236
  566    HB3  ASP  91           2HB      ASP  91   0.537  -4.346  -8.465
  567    HA   PRO  92           HA       PRO  92   1.825  -4.879  -3.508
  568    HB2  PRO  92           1HB      PRO  92   1.334  -6.720  -1.574
  569    HB3  PRO  92           2HB      PRO  92   0.140  -5.520  -2.115
  570    HG2  PRO  92           1HG      PRO  92   0.170  -8.439  -2.700
  571    HG3  PRO  92           2HG      PRO  92  -1.207  -7.276  -2.651
  572    HD2  PRO  92           1HD      PRO  92   0.235  -8.223  -4.954
  573    HD3  PRO  92           2HD      PRO  92  -1.087  -7.038  -4.872
  574    H    LYS  93           H        LYS  93   3.909  -5.014  -3.006
  575    HA   LYS  93           HA       LYS  93   5.513  -7.466  -3.230
  576    HB2  LYS  93           1HB      LYS  93   6.812  -6.579  -5.181
  577    HB3  LYS  93           2HB      LYS  93   5.123  -6.926  -5.554
  578    HG2  LYS  93           1HG      LYS  93   4.602  -4.494  -5.287
  579    HG3  LYS  93           2HG      LYS  93   6.342  -4.176  -5.154
  580    HD2  LYS  93           1HD      LYS  93   6.733  -4.955  -7.406
  581    HD3  LYS  93           2HD      LYS  93   5.142  -5.758  -7.480
  582    HE2  LYS  93           1HE      LYS  93   4.045  -3.575  -7.149
  583    HE3  LYS  93           2HE      LYS  93   5.621  -2.765  -7.297
  584    HZ1  LYS  93           3HZ      LYS  93   4.401  -2.792  -9.399
  585    HZ2  LYS  93           1HZ      LYS  93   5.757  -3.718  -9.569
  586    HZ3  LYS  93           2HZ      LYS  93   4.264  -4.405  -9.371
  587    H    VAL  94           H        VAL  94   7.889  -6.979  -2.948
  588    HA   VAL  94           HA       VAL  94   8.137  -5.719  -0.420
  589    HB   VAL  94           HB       VAL  94  10.377  -6.531  -2.320
  590   HG11  VAL  94          1HG1      VAL  94  11.290  -5.060  -0.586
  591   HG12  VAL  94          2HG1      VAL  94  10.426  -5.961   0.683
  592   HG13  VAL  94          3HG1      VAL  94  11.749  -6.722  -0.229
  593   HG21  VAL  94          3HG2      VAL  94  10.455  -8.594  -0.904
  594   HG22  VAL  94          1HG2      VAL  94   8.992  -8.048  -0.058
  595   HG23  VAL  94          2HG2      VAL  94   8.942  -8.445  -1.791
  596    H    ALA  95           H        ALA  95   8.742  -3.754   0.290
  597    HA   ALA  95           HA       ALA  95   8.831  -1.523  -1.593
  598    HB1  ALA  95           1HB      ALA  95   7.617  -1.380   0.547
  599    HB2  ALA  95           2HB      ALA  95   9.131  -1.646   1.438
  600    HB3  ALA  95           3HB      ALA  95   8.911  -0.170   0.477
  601    H    PHE  96           H        PHE  96  10.580  -0.376  -2.281
  602    HA   PHE  96           HA       PHE  96  13.193  -1.349  -2.184
  603    HB2  PHE  96           1HB      PHE  96  12.290   1.529  -2.561
  604    HB3  PHE  96           2HB      PHE  96  13.867   0.902  -2.999
  605    HD1  PHE  96           1HD      PHE  96  12.635  -1.818  -4.240
  606    HD2  PHE  96           2HD      PHE  96  11.918   2.408  -4.776
  607    HE1  PHE  96           1HE      PHE  96  11.847  -2.238  -6.541
  608    HE2  PHE  96           2HE      PHE  96  11.133   1.974  -7.085
  609    HZ   PHE  96           HZ       PHE  96  11.088  -0.351  -7.972
  610    HA   PRO  97           HA       PRO  97  14.590  -0.355   1.874
  611    HB2  PRO  97           1HB      PRO  97  17.301  -0.598   1.637
  612    HB3  PRO  97           2HB      PRO  97  16.185  -1.988   1.472
  613    HG2  PRO  97           1HG      PRO  97  17.380  -0.292  -0.750
  614    HG3  PRO  97           2HG      PRO  97  17.375  -2.081  -0.608
  615    HD2  PRO  97           1HD      PRO  97  15.509  -0.771  -2.083
  616    HD3  PRO  97           2HD      PRO  97  15.069  -2.208  -1.109
  617    H    ARG  98           H        ARG  98  15.894   1.118   3.167
  618    HA   ARG  98           HA       ARG  98  16.769   3.664   2.001
  619    HB2  ARG  98           1HB      ARG  98  15.170   4.945   3.219
  620    HB3  ARG  98           2HB      ARG  98  14.306   3.811   2.195
  621    HG2  ARG  98           1HG      ARG  98  13.991   2.318   4.230
  622    HG3  ARG  98           2HG      ARG  98  14.721   3.591   5.217
  623    HD2  ARG  98           1HD      ARG  98  12.161   3.770   3.580
  624    HD3  ARG  98           2HD      ARG  98  12.275   3.712   5.336
  625    HE   ARG  98           HE       ARG  98  12.681   6.013   3.574
  626   HH11  ARG  98          1HH1      ARG  98  13.237   4.893   6.892
  627   HH12  ARG  98          2HH1      ARG  98  13.590   6.503   7.446
  628   HH21  ARG  98          1HH2      ARG  98  13.295   7.933   4.279
  629   HH22  ARG  98          2HH2      ARG  98  13.631   8.240   5.970
  630    H    ARG  99           H        ARG  99  17.105   5.205   4.128
  631    HA   ARG  99           HA       ARG  99  18.507   3.713   6.286
  632    HB2  ARG  99           1HB      ARG  99  19.765   5.870   4.532
  633    HB3  ARG  99           2HB      ARG  99  20.469   5.280   6.032
  634    HG2  ARG  99           1HG      ARG  99  19.993   3.583   3.542
  635    HG3  ARG  99           2HG      ARG  99  21.523   4.304   4.033
  636    HD2  ARG  99           1HD      ARG  99  21.517   2.981   6.119
  637    HD3  ARG  99           2HD      ARG  99  19.996   2.221   5.664
  638    HE   ARG  99           HE       ARG  99  22.671   1.739   4.526
  639   HH11  ARG  99          1HH1      ARG  99  19.206   1.053   4.126
  640   HH12  ARG  99          2HH1      ARG  99  19.528  -0.356   3.153
  641   HH21  ARG  99          1HH2      ARG  99  22.984  -0.057   3.245
  642   HH22  ARG  99          2HH2      ARG  99  21.627  -0.957   2.645
  643    H    ALA 100           H        ALA 100  18.809   4.836   8.179
  644    HA   ALA 100           HA       ALA 100  17.939   7.557   8.665
  645    HB1  ALA 100           1HB      ALA 100  15.724   6.468   8.438
  646    HB2  ALA 100           2HB      ALA 100  16.192   5.237   9.633
  647    HB3  ALA 100           3HB      ALA 100  16.009   6.934  10.120
  648    H    GLN 101           H        GLN 101  18.050   8.074  11.023
  649    HA   GLN 101           HA       GLN 101  20.332   6.711  12.293
  650    HB2  GLN 101           1HB      GLN 101  20.319   8.559  13.853
  651    HB3  GLN 101           2HB      GLN 101  20.260   9.179  12.213
  652    HG2  GLN 101           1HG      GLN 101  17.977   9.866  12.442
  653    HG3  GLN 101           2HG      GLN 101  17.718   8.873  13.875
  654   HE21  GLN 101          2HE2      GLN 101  18.696   9.510  15.936
  655   HE22  GLN 101          1HE2      GLN 101  19.131  11.201  16.168
  656    HA   PRO 102           HA       PRO 102  17.794   4.647  15.438
  657    HB2  PRO 102           1HB      PRO 102  19.476   4.546  17.583
  658    HB3  PRO 102           2HB      PRO 102  19.726   3.547  16.118
  659    HG2  PRO 102           1HG      PRO 102  21.032   6.203  16.805
  660    HG3  PRO 102           2HG      PRO 102  21.825   4.691  16.257
  661    HD2  PRO 102           1HD      PRO 102  21.224   6.697  14.531
  662    HD3  PRO 102           2HD      PRO 102  21.068   4.987  14.041
  663    H    LYS 103           H        LYS 103  16.619   5.174  17.344
  664    HA   LYS 103           HA       LYS 103  16.869   7.727  18.719
  665    HB2  LYS 103           1HB      LYS 103  15.831   8.393  16.538
  666    HB3  LYS 103           2HB      LYS 103  14.486   7.295  16.866
  667    HG2  LYS 103           1HG      LYS 103  13.907   8.605  18.893
  668    HG3  LYS 103           2HG      LYS 103  15.304   9.665  18.612
  669    HD2  LYS 103           1HD      LYS 103  14.325  10.381  16.447
  670    HD3  LYS 103           2HD      LYS 103  12.932   9.311  16.723
  671    HE2  LYS 103           1HE      LYS 103  12.391  10.562  18.803
  672    HE3  LYS 103           2HE      LYS 103  13.776  11.627  18.526
  673    HZ1  LYS 103           3HZ      LYS 103  11.715  12.628  17.723
  674    HZ2  LYS 103           1HZ      LYS 103  12.710  12.362  16.458
  675    HZ3  LYS 103           2HZ      LYS 103  11.430  11.377  16.715
  676    H5'    G 104           H5'        G 104  -4.570  -0.477 -13.904
  677   H5''    G 104          H5"         G 104  -2.964  -0.103 -13.267
  678    H4'    G 104           H4'        G 104  -3.919   1.837 -14.396
  679    H3'    G 104           H3'        G 104  -2.965   1.907 -11.672
  680    H2'    G 104           H2'        G 104  -4.960   2.630 -10.771
  681   HO2'    G 104          HO2         G 104  -3.622   4.803 -11.893
  682    H1'    G 104           H1'        G 104  -5.678   3.940 -13.413
  683    H8     G 104           8H         G 104  -7.065   2.496 -10.119
  684    H1     G 104           1H         G 104 -11.457   5.088 -14.043
  685    H21    G 104           1H2        G 104 -10.458   5.613 -15.996
  686    H22    G 104           2H2        G 104  -8.751   5.269 -16.216
  687   HO5'    G 104          H5T         G 104  -5.415  -0.236 -11.797
  688    H5'    U 105           H5'        U 105  -1.353   3.221 -10.553
  689   H5''    U 105          H5"         U 105  -0.197   4.323 -11.299
  690    H4'    U 105           H4'        U 105   0.691   3.450  -9.237
  691    H3'    U 105           H3'        U 105   2.138   3.511 -11.561
  692    H2'    U 105           H2'        U 105   1.690   1.265 -12.159
  693   HO2'    U 105          HO2         U 105   4.188   1.621 -11.196
  694    H1'    U 105           H1'        U 105   2.182   0.436  -9.302
  695    H3     U 105           3H         U 105   1.713  -3.895 -10.554
  696    H5     U 105           5H         U 105  -1.534  -2.025 -12.434
  697    H6     U 105           6H         U 105  -0.722   0.129 -11.611
  698    H5'    A 106           H5'        A 106   3.852   4.449  -7.185
  699   H5''    A 106          H5"         A 106   4.149   5.864  -8.188
  700    H4'    A 106           H4'        A 106   5.161   6.257  -6.087
  701    H3'    A 106           H3'        A 106   6.615   6.515  -8.402
  702    H2'    A 106           H2'        A 106   7.614   4.383  -8.346
  703   HO2'    A 106          HO2         A 106   9.276   6.263  -7.093
  704    H1'    A 106           H1'        A 106   8.136   4.596  -5.385
  705    H8     A 106           8H         A 106   6.944   2.193  -8.227
  706    H61    A 106           1H6        A 106   8.972  -2.173  -4.183
  707    H62    A 106           2H6        A 106   8.331  -1.972  -5.815
  708    H2     A 106           2H         A 106   9.468   1.674  -2.324
  709    H5'    G 107           H5'        G 107   8.013   8.553  -3.911
  710   H5''    G 107          H5"         G 107   7.356   6.923  -3.739
  711    H4'    G 107           H4'        G 107   5.859   9.168  -2.400
  712    H3'    G 107           H3'        G 107   8.562   8.123  -1.522
  713    H2'    G 107           H2'        G 107   7.822   8.378   0.724
  714   HO2'    G 107          HO2         G 107   6.845  10.552   0.227
  715    H1'    G 107           H1'        G 107   5.111   7.756   0.160
  716    H8     G 107           8H         G 107   4.938   6.006   1.952
  717    H1     G 107           1H         G 107  10.484   3.163   0.317
  718    H21    G 107           1H2        G 107  11.404   4.305  -1.405
  719    H22    G 107           2H2        G 107  10.560   5.690  -2.071
  720    H5'    U 108           H5'        U 108  11.197  11.452   0.953
  721   H5''    U 108          H5"         U 108  12.091  10.310  -0.054
  722    H4'    U 108           H4'        U 108  12.575   9.936   2.288
  723    H3'    U 108           H3'        U 108  11.779   7.852   0.564
  724   HO3'    U 108          H3T         U 108  13.669   7.692   1.728
  725    H2'    U 108           H2'        U 108   9.636   7.698   1.528
  726   HO2'    U 108          HO2         U 108  10.899   5.658   1.903
  727    H1'    U 108           H1'        U 108  10.980   8.189   4.205
  728    H3     U 108           3H         U 108   7.346  10.182   6.453
  729    H5     U 108           5H         U 108   5.854   7.136   4.020
  730    H6     U 108           6H         U 108   8.033   6.949   2.956
  Start of MODEL    9
    1    H    CYS  20           1H       CYS  20  11.302  -5.120   6.574
    2    HA   CYS  20           HA       CYS  20   9.236  -6.059   5.793
    3    HB2  CYS  20           1HB      CYS  20   7.147  -5.597   7.130
    4    HB3  CYS  20           2HB      CYS  20   8.235  -6.752   7.900
    5    HG   CYS  20           HG       CYS  20   7.030  -5.082   9.650
    6    H    LYS  21           H        LYS  21   7.723  -4.853   4.676
    7    HA   LYS  21           HA       LYS  21   6.399  -2.752   4.645
    8    HB2  LYS  21           1HB      LYS  21   8.066  -1.219   5.505
    9    HB3  LYS  21           2HB      LYS  21   9.058  -1.415   4.044
   10    HG2  LYS  21           1HG      LYS  21   7.374  -0.318   2.700
   11    HG3  LYS  21           2HG      LYS  21   6.157  -0.479   3.969
   12    HD2  LYS  21           1HD      LYS  21   7.458   1.092   5.404
   13    HD3  LYS  21           2HD      LYS  21   8.623   1.305   4.079
   14    HE2  LYS  21           1HE      LYS  21   6.893   2.188   2.617
   15    HE3  LYS  21           2HE      LYS  21   5.620   1.797   3.787
   16    HZ1  LYS  21           3HZ      LYS  21   6.418   4.167   3.710
   17    HZ2  LYS  21           1HZ      LYS  21   6.339   3.495   5.211
   18    HZ3  LYS  21           2HZ      LYS  21   7.794   3.677   4.432
   19    H    MET  22           H        MET  22   5.367  -2.329   2.771
   20    HA   MET  22           HA       MET  22   6.413  -3.483   0.227
   21    HB2  MET  22           1HB      MET  22   3.754  -4.121   1.581
   22    HB3  MET  22           2HB      MET  22   4.223  -4.622  -0.045
   23    HG2  MET  22           1HG      MET  22   6.216  -5.816   0.977
   24    HG3  MET  22           2HG      MET  22   5.561  -5.414   2.560
   25    HE1  MET  22           3HE      MET  22   4.078  -8.550  -0.431
   26    HE2  MET  22           1HE      MET  22   4.011  -6.833  -0.881
   27    HE3  MET  22           2HE      MET  22   5.570  -7.590  -0.474
   28    H    PHE  23           H        PHE  23   5.765  -2.572  -1.562
   29    HA   PHE  23           HA       PHE  23   4.092  -0.115  -1.629
   30    HB2  PHE  23           1HB      PHE  23   6.123   0.005  -2.909
   31    HB3  PHE  23           2HB      PHE  23   5.890  -1.599  -3.587
   32    HD1  PHE  23           1HD      PHE  23   4.164  -2.001  -5.363
   33    HD2  PHE  23           2HD      PHE  23   5.064   1.959  -3.928
   34    HE1  PHE  23           1HE      PHE  23   3.133  -1.041  -7.391
   35    HE2  PHE  23           2HE      PHE  23   4.025   2.907  -5.961
   36    HZ   PHE  23           HZ       PHE  23   3.060   1.431  -7.698
   37    H    ILE  24           H        ILE  24   2.058  -0.151  -2.532
   38    HA   ILE  24           HA       ILE  24   0.918  -2.828  -3.307
   39    HB   ILE  24           HB       ILE  24  -0.621  -0.607  -1.937
   40   HG12  ILE  24          1HG1      ILE  24   1.043  -1.164  -0.296
   41   HG13  ILE  24          2HG1      ILE  24  -0.536  -1.751   0.174
   42   HG21  ILE  24          1HG2      ILE  24  -1.881  -2.282  -3.243
   43   HG22  ILE  24          2HG2      ILE  24  -1.169  -3.585  -2.282
   44   HG23  ILE  24          3HG2      ILE  24  -2.237  -2.389  -1.515
   45   HD11  ILE  24          3HD1      ILE  24   1.341  -3.306   0.716
   46   HD12  ILE  24          1HD1      ILE  24   0.080  -4.042  -0.276
   47   HD13  ILE  24          2HD1      ILE  24   1.620  -3.549  -1.009
   48    H    GLY  25           H        GLY  25   0.982  -2.640  -5.531
   49    HA2  GLY  25           1HA      GLY  25   0.063  -0.147  -6.858
   50    HA3  GLY  25           2HA      GLY  25   0.798  -1.574  -7.616
   51    H    GLY  26           H        GLY  26  -1.362  -0.340  -8.765
   52    HA2  GLY  26           1HA      GLY  26  -3.149  -1.130 -10.008
   53    HA3  GLY  26           2HA      GLY  26  -3.031  -2.685  -9.158
   54    H    LEU  27           H        LEU  27  -3.462   0.133  -7.170
   55    HA   LEU  27           HA       LEU  27  -5.926  -0.886  -6.053
   56    HB2  LEU  27           1HB      LEU  27  -4.589   1.838  -5.736
   57    HB3  LEU  27           2HB      LEU  27  -5.903   1.239  -4.755
   58    HG   LEU  27           HG       LEU  27  -3.077   0.113  -4.802
   59   HD11  LEU  27          1HD1      LEU  27  -3.452   2.316  -3.645
   60   HD12  LEU  27          2HD1      LEU  27  -4.673   1.551  -2.629
   61   HD13  LEU  27          3HD1      LEU  27  -2.979   1.018  -2.529
   62   HD21  LEU  27          3HD2      LEU  27  -3.958  -1.219  -2.797
   63   HD22  LEU  27          1HD2      LEU  27  -5.585  -0.882  -3.419
   64   HD23  LEU  27          2HD2      LEU  27  -4.400  -1.764  -4.416
   65    H    SER  28           H        SER  28  -7.904   0.275  -5.833
   66    HA   SER  28           HA       SER  28  -8.966   1.534  -8.291
   67    HB2  SER  28           1HB      SER  28 -10.399   0.006  -7.067
   68    HB3  SER  28           2HB      SER  28 -10.120   0.875  -5.555
   69    HG   SER  28           HG       SER  28 -12.115   1.382  -6.493
   70    H    TRP  29           H        TRP  29  -9.606   3.736  -8.441
   71    HA   TRP  29           HA       TRP  29  -8.327   5.721  -6.799
   72    HB2  TRP  29           1HB      TRP  29 -10.527   5.790  -8.861
   73    HB3  TRP  29           2HB      TRP  29 -10.002   7.232  -7.998
   74    HD1  TRP  29           HD       TRP  29  -7.001   5.212  -8.707
   75    HE1  TRP  29           1HE      TRP  29  -5.758   6.060 -10.757
   76    HE3  TRP  29           3HE      TRP  29 -10.640   8.251 -10.646
   77    HZ2  TRP  29           2HZ      TRP  29  -6.215   7.934 -12.915
   78    HZ3  TRP  29           3HZ      TRP  29 -10.226   9.505 -12.745
   79    HH2  TRP  29           HH       TRP  29  -8.021   9.364 -13.883
   80    H    GLN  30           H        GLN  30 -10.960   3.768  -5.990
   81    HA   GLN  30           HA       GLN  30 -12.127   5.762  -4.100
   82    HB2  GLN  30           1HB      GLN  30 -12.977   2.892  -4.563
   83    HB3  GLN  30           2HB      GLN  30 -13.872   4.162  -3.735
   84    HG2  GLN  30           1HG      GLN  30 -13.986   5.414  -5.941
   85    HG3  GLN  30           2HG      GLN  30 -13.312   3.977  -6.723
   86   HE21  GLN  30          2HE2      GLN  30 -14.623   1.795  -5.855
   87   HE22  GLN  30          1HE2      GLN  30 -16.362   2.012  -6.013
   88    H    THR  31           H        THR  31  -9.494   3.693  -4.050
   89    HA   THR  31           HA       THR  31  -9.929   2.259  -1.596
   90    HB   THR  31           HB       THR  31  -7.249   2.882  -2.890
   91    HG1  THR  31           1HG      THR  31  -8.350   2.013  -4.459
   92   HG21  THR  31          3HG2      THR  31  -6.752   0.552  -2.003
   93   HG22  THR  31          1HG2      THR  31  -6.965   1.770  -0.744
   94   HG23  THR  31          2HG2      THR  31  -8.275   0.619  -1.106
   95    H    THR  32           H        THR  32  -9.242   2.625   0.458
   96    HA   THR  32           HA       THR  32  -7.825   5.168   1.124
   97    HB   THR  32           HB       THR  32  -9.033   5.250   3.237
   98    HG1  THR  32           1HG      THR  32 -10.852   3.791   3.455
   99   HG21  THR  32          3HG2      THR  32 -11.232   5.907   2.467
  100   HG22  THR  32          1HG2      THR  32 -10.042   6.399   1.251
  101   HG23  THR  32          2HG2      THR  32 -11.056   4.967   0.972
  102    H    GLN  33           H        GLN  33  -6.480   5.026   3.024
  103    HA   GLN  33           HA       GLN  33  -4.947   2.575   3.125
  104    HB2  GLN  33           1HB      GLN  33  -3.650   3.773   4.905
  105    HB3  GLN  33           2HB      GLN  33  -3.745   4.487   3.306
  106    HG2  GLN  33           1HG      GLN  33  -5.577   6.048   4.230
  107    HG3  GLN  33           2HG      GLN  33  -5.080   5.481   5.829
  108   HE21  GLN  33          2HE2      GLN  33  -3.580   6.960   6.743
  109   HE22  GLN  33          1HE2      GLN  33  -2.444   7.897   5.788
  110    H    GLU  34           H        GLU  34  -7.601   3.746   5.081
  111    HA   GLU  34           HA       GLU  34  -7.363   1.677   7.119
  112    HB2  GLU  34           1HB      GLU  34  -9.766   3.278   6.142
  113    HB3  GLU  34           2HB      GLU  34  -9.777   2.170   7.521
  114    HG2  GLU  34           1HG      GLU  34  -8.007   3.530   8.627
  115    HG3  GLU  34           2HG      GLU  34  -8.048   4.672   7.282
  116    H    GLY  35           H        GLY  35  -8.863   1.883   3.873
  117    HA2  GLY  35           1HA      GLY  35 -10.090  -0.725   3.862
  118    HA3  GLY  35           2HA      GLY  35  -9.666   0.274   2.451
  119    H    LEU  36           H        LEU  36  -6.806   0.440   2.943
  120    HA   LEU  36           HA       LEU  36  -5.855  -2.131   2.087
  121    HB2  LEU  36           1HB      LEU  36  -4.215   0.050   3.475
  122    HB3  LEU  36           2HB      LEU  36  -3.594  -1.321   2.582
  123    HG   LEU  36           HG       LEU  36  -4.997   1.112   1.468
  124   HD11  LEU  36          1HD1      LEU  36  -2.571   1.267   1.994
  125   HD12  LEU  36          2HD1      LEU  36  -2.264  -0.113   0.918
  126   HD13  LEU  36          3HD1      LEU  36  -2.895   1.404   0.255
  127   HD21  LEU  36          3HD2      LEU  36  -4.683   0.063  -0.780
  128   HD22  LEU  36          1HD2      LEU  36  -4.299  -1.476   0.020
  129   HD23  LEU  36          2HD2      LEU  36  -5.907  -0.728   0.215
  130    H    ARG  37           H        ARG  37  -5.724  -0.635   5.380
  131    HA   ARG  37           HA       ARG  37  -4.654  -2.937   6.652
  132    HB2  ARG  37           1HB      ARG  37  -4.808  -0.757   7.744
  133    HB3  ARG  37           2HB      ARG  37  -6.575  -0.826   7.725
  134    HG2  ARG  37           1HG      ARG  37  -6.559  -2.769   9.254
  135    HG3  ARG  37           2HG      ARG  37  -4.789  -2.805   9.210
  136    HD2  ARG  37           1HD      ARG  37  -4.834  -0.432  10.099
  137    HD3  ARG  37           2HD      ARG  37  -6.592  -0.593  10.240
  138    HE   ARG  37           HE       ARG  37  -4.887  -2.607  11.641
  139   HH11  ARG  37          1HH1      ARG  37  -6.798   0.363  12.039
  140   HH12  ARG  37          2HH1      ARG  37  -7.054   0.065  13.732
  141   HH21  ARG  37          1HH2      ARG  37  -5.357  -2.974  13.774
  142   HH22  ARG  37          2HH2      ARG  37  -6.218  -1.776  14.713
  143    H    GLU  38           H        GLU  38  -8.054  -2.174   5.915
  144    HA   GLU  38           HA       GLU  38  -9.234  -4.356   7.183
  145    HB2  GLU  38           1HB      GLU  38 -10.194  -2.260   5.769
  146    HB3  GLU  38           2HB      GLU  38 -10.363  -3.502   4.521
  147    HG2  GLU  38           1HG      GLU  38 -11.592  -4.908   6.209
  148    HG3  GLU  38           2HG      GLU  38 -11.418  -3.577   7.365
  149    H    TYR  39           H        TYR  39  -7.692  -4.272   3.965
  150    HA   TYR  39           HA       TYR  39  -8.370  -7.053   3.329
  151    HB2  TYR  39           1HB      TYR  39  -8.227  -5.264   1.637
  152    HB3  TYR  39           2HB      TYR  39  -6.511  -5.068   1.970
  153    HD1  TYR  39           2HD      TYR  39  -9.056  -7.646   0.972
  154    HD2  TYR  39           1HD      TYR  39  -4.931  -6.404   0.782
  155    HE1  TYR  39           2HE      TYR  39  -8.553  -9.567  -0.516
  156    HE2  TYR  39           1HE      TYR  39  -4.422  -8.310  -0.721
  157    HH   TYR  39           HH       TYR  39  -6.946 -10.723  -1.635
  158    H    PHE  40           H        PHE  40  -5.428  -5.271   4.292
  159    HA   PHE  40           HA       PHE  40  -3.772  -7.639   4.135
  160    HB2  PHE  40           1HB      PHE  40  -3.292  -4.751   4.854
  161    HB3  PHE  40           2HB      PHE  40  -2.037  -5.929   5.091
  162    HD1  PHE  40           1HD      PHE  40  -1.797  -7.667   2.931
  163    HD2  PHE  40           2HD      PHE  40  -3.312  -3.638   2.758
  164    HE1  PHE  40           1HE      PHE  40  -1.368  -7.607   0.492
  165    HE2  PHE  40           2HE      PHE  40  -2.907  -3.590   0.321
  166    HZ   PHE  40           HZ       PHE  40  -1.940  -5.575  -0.823
  167    H    GLY  41           H        GLY  41  -5.517  -6.142   6.769
  168    HA2  GLY  41           1HA      GLY  41  -4.216  -7.385   8.978
  169    HA3  GLY  41           2HA      GLY  41  -5.898  -6.835   8.913
  170    H    GLN  42           H        GLN  42  -6.069  -8.862   6.477
  171    HA   GLN  42           HA       GLN  42  -6.973 -11.188   7.983
  172    HB2  GLN  42           1HB      GLN  42  -6.562 -10.940   4.982
  173    HB3  GLN  42           2HB      GLN  42  -7.623 -12.055   5.837
  174    HG2  GLN  42           1HG      GLN  42  -7.964  -9.042   5.547
  175    HG3  GLN  42           2HG      GLN  42  -8.925 -10.281   4.777
  176   HE21  GLN  42          2HE2      GLN  42  -9.663  -7.992   6.627
  177   HE22  GLN  42          1HE2      GLN  42 -10.550  -8.781   7.933
  178    H    PHE  43           H        PHE  43  -3.941 -10.228   6.538
  179    HA   PHE  43           HA       PHE  43  -2.794 -12.973   6.734
  180    HB2  PHE  43           1HB      PHE  43  -1.547 -10.392   5.706
  181    HB3  PHE  43           2HB      PHE  43  -0.881 -12.004   5.582
  182    HD1  PHE  43           2HD      PHE  43  -1.792 -13.632   3.906
  183    HD2  PHE  43           1HD      PHE  43  -3.362  -9.650   4.267
  184    HE1  PHE  43           2HE      PHE  43  -2.929 -13.878   1.716
  185    HE2  PHE  43           1HE      PHE  43  -4.515  -9.887   2.083
  186    HZ   PHE  43           HZ       PHE  43  -4.310 -12.012   0.811
  187    H    GLY  44           H        GLY  44  -2.391  -9.646   8.005
  188    HA2  GLY  44           1HA      GLY  44  -1.791 -10.468  10.666
  189    HA3  GLY  44           2HA      GLY  44  -0.282 -10.090   9.854
  190    H    GLU  45           H        GLU  45  -1.401  -8.644  12.093
  191    HA   GLU  45           HA       GLU  45  -2.741  -6.266  11.292
  192    HB2  GLU  45           1HB      GLU  45  -2.696  -7.106  13.605
  193    HB3  GLU  45           2HB      GLU  45  -0.966  -6.775  13.711
  194    HG2  GLU  45           1HG      GLU  45  -2.295  -5.057  14.844
  195    HG3  GLU  45           2HG      GLU  45  -1.372  -4.362  13.524
  196    H    VAL  46           H        VAL  46  -2.008  -4.127  11.021
  197    HA   VAL  46           HA       VAL  46   0.650  -4.042   9.703
  198    HB   VAL  46           HB       VAL  46  -0.150  -2.333   8.295
  199   HG11  VAL  46          1HG1      VAL  46  -0.616  -4.686   7.655
  200   HG12  VAL  46          2HG1      VAL  46  -2.236  -4.551   8.377
  201   HG13  VAL  46          3HG1      VAL  46  -1.801  -3.554   6.982
  202   HG21  VAL  46          3HG2      VAL  46  -2.550  -1.642   8.240
  203   HG22  VAL  46          1HG2      VAL  46  -2.720  -2.351   9.864
  204   HG23  VAL  46          2HG2      VAL  46  -1.608  -0.994   9.590
  205    H    LYS  47           H        LYS  47   2.118  -2.690  10.173
  206    HA   LYS  47           HA       LYS  47   2.129  -1.111  12.659
  207    HB2  LYS  47           1HB      LYS  47   3.902  -2.699  11.981
  208    HB3  LYS  47           2HB      LYS  47   4.224  -1.752  10.528
  209    HG2  LYS  47           1HG      LYS  47   4.940   0.166  11.932
  210    HG3  LYS  47           2HG      LYS  47   4.596  -0.773  13.389
  211    HD2  LYS  47           1HD      LYS  47   6.665  -1.451  11.250
  212    HD3  LYS  47           2HD      LYS  47   7.003  -0.732  12.831
  213    HE2  LYS  47           1HE      LYS  47   6.066  -2.770  13.942
  214    HE3  LYS  47           2HE      LYS  47   5.795  -3.492  12.349
  215    HZ1  LYS  47           3HZ      LYS  47   7.875  -4.254  13.313
  216    HZ2  LYS  47           1HZ      LYS  47   8.181  -3.403  11.951
  217    HZ3  LYS  47           2HZ      LYS  47   8.450  -2.729  13.420
  218    H    GLU  48           H        GLU  48   1.861  -0.570   9.218
  219    HA   GLU  48           HA       GLU  48   1.254   2.256   9.513
  220    HB2  GLU  48           1HB      GLU  48   3.751   2.295   9.488
  221    HB3  GLU  48           2HB      GLU  48   3.744   1.413   7.963
  222    HG2  GLU  48           1HG      GLU  48   2.656   3.295   6.828
  223    HG3  GLU  48           2HG      GLU  48   2.518   4.167   8.360
  224    H    CYS  49           H        CYS  49   0.097   2.996   7.700
  225    HA   CYS  49           HA       CYS  49   0.031   1.455   5.232
  226    HB2  CYS  49           1HB      CYS  49  -2.463   1.209   5.236
  227    HB3  CYS  49           2HB      CYS  49  -1.639   0.213   6.444
  228    HG   CYS  49           HG       CYS  49  -2.001   1.844   8.472
  229    H    LEU  50           H        LEU  50  -0.511   2.647   3.485
  230    HA   LEU  50           HA       LEU  50  -1.222   5.524   3.768
  231    HB2  LEU  50           1HB      LEU  50   1.256   4.318   2.510
  232    HB3  LEU  50           2HB      LEU  50   0.702   5.934   2.129
  233    HG   LEU  50           HG       LEU  50   1.631   5.044   4.882
  234   HD11  LEU  50          1HD1      LEU  50   3.434   5.070   3.181
  235   HD12  LEU  50          2HD1      LEU  50   2.981   6.715   2.694
  236   HD13  LEU  50          3HD1      LEU  50   3.629   6.404   4.324
  237   HD21  LEU  50          3HD2      LEU  50   1.647   7.496   5.354
  238   HD22  LEU  50          1HD2      LEU  50   0.911   7.803   3.765
  239   HD23  LEU  50          2HD2      LEU  50   0.010   6.917   5.018
  240    H    VAL  51           H        VAL  51  -2.264   6.342   2.035
  241    HA   VAL  51           HA       VAL  51  -2.126   4.904  -0.597
  242    HB   VAL  51           HB       VAL  51  -4.599   6.176   0.644
  243   HG11  VAL  51          1HG1      VAL  51  -4.436   7.009  -1.658
  244   HG12  VAL  51          2HG1      VAL  51  -4.077   5.371  -2.253
  245   HG13  VAL  51          3HG1      VAL  51  -5.679   5.761  -1.581
  246   HG21  VAL  51          3HG2      VAL  51  -5.613   3.985   0.053
  247   HG22  VAL  51          1HG2      VAL  51  -4.055   3.424  -0.580
  248   HG23  VAL  51          2HG2      VAL  51  -4.240   3.774   1.151
  249    H    MET  52           H        MET  52  -1.188   6.120  -2.056
  250    HA   MET  52           HA       MET  52  -0.267   8.774  -1.203
  251    HB2  MET  52           1HB      MET  52   0.561   7.039  -3.547
  252    HB3  MET  52           2HB      MET  52   1.391   8.493  -2.985
  253    HG2  MET  52           1HG      MET  52   1.142   5.817  -1.574
  254    HG3  MET  52           2HG      MET  52   2.593   6.596  -2.155
  255    HE1  MET  52           3HE      MET  52   3.026   9.507   0.463
  256    HE2  MET  52           1HE      MET  52   3.333   8.982  -1.207
  257    HE3  MET  52           2HE      MET  52   1.769   9.713  -0.778
  258    H    ARG  53           H        ARG  53  -2.725   9.237  -1.564
  259    HA   ARG  53           HA       ARG  53  -3.593   9.634  -4.268
  260    HB2  ARG  53           1HB      ARG  53  -5.665  10.444  -3.336
  261    HB3  ARG  53           2HB      ARG  53  -5.147   8.998  -2.482
  262    HG2  ARG  53           1HG      ARG  53  -4.345  10.412  -0.589
  263    HG3  ARG  53           2HG      ARG  53  -4.899  11.853  -1.467
  264    HD2  ARG  53           1HD      ARG  53  -7.208  10.857  -1.536
  265    HD3  ARG  53           2HD      ARG  53  -6.623   9.529  -0.514
  266    HE   ARG  53           HE       ARG  53  -5.934  11.914   0.801
  267   HH11  ARG  53          1HH1      ARG  53  -8.949  10.287  -0.097
  268   HH12  ARG  53          2HH1      ARG  53  -9.840  11.033   1.195
  269   HH21  ARG  53          1HH2      ARG  53  -7.144  12.830   2.452
  270   HH22  ARG  53          2HH2      ARG  53  -8.829  12.443   2.621
  271    H    ASP  54           H        ASP  54  -4.328  11.500  -5.293
  272    HA   ASP  54           HA       ASP  54  -2.701  13.908  -5.055
  273    HB2  ASP  54           1HB      ASP  54  -3.463  13.094  -7.223
  274    HB3  ASP  54           2HB      ASP  54  -5.144  13.150  -6.701
  275    HA   PRO  55           HA       PRO  55  -5.522  15.426  -1.948
  276    HB2  PRO  55           1HB      PRO  55  -4.448  17.859  -1.335
  277    HB3  PRO  55           2HB      PRO  55  -3.642  16.307  -0.956
  278    HG2  PRO  55           1HG      PRO  55  -3.146  18.136  -3.317
  279    HG3  PRO  55           2HG      PRO  55  -1.941  17.379  -2.233
  280    HD2  PRO  55           1HD      PRO  55  -2.617  16.298  -4.667
  281    HD3  PRO  55           2HD      PRO  55  -2.175  15.284  -3.260
  282    H    LEU  56           H        LEU  56  -5.432  16.928  -5.109
  283    HA   LEU  56           HA       LEU  56  -7.562  18.863  -4.458
  284    HB2  LEU  56           1HB      LEU  56  -6.257  18.138  -7.124
  285    HB3  LEU  56           2HB      LEU  56  -7.381  19.426  -6.811
  286    HG   LEU  56           HG       LEU  56  -5.430  20.569  -6.962
  287   HD11  LEU  56          1HD1      LEU  56  -6.536  21.153  -4.815
  288   HD12  LEU  56          2HD1      LEU  56  -5.444  20.032  -3.966
  289   HD13  LEU  56          3HD1      LEU  56  -4.788  21.448  -4.804
  290   HD21  LEU  56          3HD2      LEU  56  -3.246  19.920  -6.066
  291   HD22  LEU  56          1HD2      LEU  56  -3.941  18.430  -5.405
  292   HD23  LEU  56          2HD2      LEU  56  -3.904  18.691  -7.156
  293    H    THR  57           H        THR  57  -7.098  15.823  -6.255
  294    HA   THR  57           HA       THR  57 -10.018  15.700  -6.909
  295    HB   THR  57           HB       THR  57  -9.359  14.109  -8.639
  296    HG1  THR  57           1HG      THR  57  -6.695  14.670  -7.823
  297   HG21  THR  57          3HG2      THR  57  -8.145  15.579 -10.133
  298   HG22  THR  57          1HG2      THR  57  -9.319  16.527  -9.199
  299   HG23  THR  57          2HG2      THR  57  -7.592  16.588  -8.781
  300    H    LYS  58           H        LYS  58  -7.776  14.262  -4.808
  301    HA   LYS  58           HA       LYS  58  -7.796  12.592  -3.340
  302    HB2  LYS  58           1HB      LYS  58 -10.792  12.676  -3.820
  303    HB3  LYS  58           2HB      LYS  58 -10.045  11.564  -2.694
  304    HG2  LYS  58           1HG      LYS  58 -10.865  13.500  -1.533
  305    HG3  LYS  58           2HG      LYS  58  -9.117  13.369  -1.364
  306    HD2  LYS  58           1HD      LYS  58  -8.754  15.219  -2.881
  307    HD3  LYS  58           2HD      LYS  58 -10.474  15.241  -3.351
  308    HE2  LYS  58           1HE      LYS  58 -11.102  15.884  -1.058
  309    HE3  LYS  58           2HE      LYS  58  -9.414  15.774  -0.536
  310    HZ1  LYS  58           3HZ      LYS  58 -10.076  18.065  -1.034
  311    HZ2  LYS  58           1HZ      LYS  58  -8.870  17.584  -2.028
  312    HZ3  LYS  58           2HZ      LYS  58 -10.411  17.676  -2.588
  313    H    ARG  59           H        ARG  59  -8.002  12.040  -6.481
  314    HA   ARG  59           HA       ARG  59  -8.349   9.226  -6.863
  315    HB2  ARG  59           1HB      ARG  59  -6.488  11.227  -8.211
  316    HB3  ARG  59           2HB      ARG  59  -6.817   9.591  -8.802
  317    HG2  ARG  59           1HG      ARG  59  -9.181  10.116  -9.130
  318    HG3  ARG  59           2HG      ARG  59  -8.970  11.723  -8.425
  319    HD2  ARG  59           1HD      ARG  59  -7.368  12.315 -10.221
  320    HD3  ARG  59           2HD      ARG  59  -7.617  10.719 -10.956
  321    HE   ARG  59           HE       ARG  59 -10.153  11.939 -10.612
  322   HH11  ARG  59          1HH1      ARG  59  -7.277  12.431 -12.608
  323   HH12  ARG  59          2HH1      ARG  59  -8.180  13.173 -13.896
  324   HH21  ARG  59          1HH2      ARG  59 -11.263  12.908 -12.307
  325   HH22  ARG  59          2HH2      ARG  59 -10.408  13.435 -13.723
  326    H    SER  60           H        SER  60  -7.233   7.552  -6.155
  327    HA   SER  60           HA       SER  60  -5.083   7.760  -4.275
  328    HB2  SER  60           1HB      SER  60  -5.184   5.341  -4.277
  329    HB3  SER  60           2HB      SER  60  -6.839   5.972  -4.398
  330    HG   SER  60           HG       SER  60  -6.622   4.363  -5.912
  331    H    ARG  61           H        ARG  61  -4.871   8.046  -7.613
  332    HA   ARG  61           HA       ARG  61  -3.293   7.805  -9.223
  333    HB2  ARG  61           1HB      ARG  61  -1.263   7.597  -6.955
  334    HB3  ARG  61           2HB      ARG  61  -0.887   7.770  -8.662
  335    HG2  ARG  61           1HG      ARG  61  -2.029   9.965  -8.729
  336    HG3  ARG  61           2HG      ARG  61  -2.434   9.810  -7.013
  337    HD2  ARG  61           1HD      ARG  61  -0.480  11.235  -7.251
  338    HD3  ARG  61           2HD      ARG  61  -0.045   9.733  -6.430
  339    HE   ARG  61           HE       ARG  61   0.390   9.895  -9.362
  340   HH11  ARG  61          1HH1      ARG  61   1.991  10.028  -6.173
  341   HH12  ARG  61          2HH1      ARG  61   3.510   9.493  -6.892
  342   HH21  ARG  61          1HH2      ARG  61   2.470   9.255 -10.096
  343   HH22  ARG  61          2HH2      ARG  61   3.754   9.111  -8.899
  344    H    GLY  62           H        GLY  62  -4.441   5.373  -7.527
  345    HA2  GLY  62           1HA      GLY  62  -4.626   3.140  -7.941
  346    HA3  GLY  62           2HA      GLY  62  -3.438   3.278  -9.254
  347    H    PHE  63           H        PHE  63  -2.381   4.416  -6.072
  348    HA   PHE  63           HA       PHE  63  -1.407   1.797  -5.315
  349    HB2  PHE  63           1HB      PHE  63   0.878   2.016  -5.630
  350    HB3  PHE  63           2HB      PHE  63   0.216   2.611  -7.131
  351    HD1  PHE  63           1HD      PHE  63   0.097   5.166  -7.486
  352    HD2  PHE  63           2HD      PHE  63   2.218   3.358  -4.198
  353    HE1  PHE  63           1HE      PHE  63   1.320   7.283  -7.103
  354    HE2  PHE  63           2HE      PHE  63   3.492   5.457  -3.875
  355    HZ   PHE  63           HZ       PHE  63   3.023   7.431  -5.265
  356    H    GLY  64           H        GLY  64  -0.185   1.655  -3.433
  357    HA2  GLY  64           1HA      GLY  64  -0.031   3.946  -1.554
  358    HA3  GLY  64           2HA      GLY  64  -1.061   2.602  -1.100
  359    H    PHE  65           H        PHE  65   0.374   2.505   0.723
  360    HA   PHE  65           HA       PHE  65   2.563   0.556   0.323
  361    HB2  PHE  65           1HB      PHE  65   2.893   3.267   1.648
  362    HB3  PHE  65           2HB      PHE  65   3.887   1.908   2.099
  363    HD1  PHE  65           1HD      PHE  65   5.586   1.001   0.645
  364    HD2  PHE  65           2HD      PHE  65   3.199   4.404  -0.575
  365    HE1  PHE  65           1HE      PHE  65   7.261   1.568  -1.089
  366    HE2  PHE  65           2HE      PHE  65   4.875   4.925  -2.308
  367    HZ   PHE  65           HZ       PHE  65   6.904   3.560  -2.554
  368    H    VAL  66           H        VAL  66   2.880  -0.807   2.089
  369    HA   VAL  66           HA       VAL  66   1.388  -0.319   4.615
  370    HB   VAL  66           HB       VAL  66   1.026  -2.830   2.934
  371   HG11  VAL  66          1HG1      VAL  66   1.281  -3.580   5.249
  372   HG12  VAL  66          2HG1      VAL  66   0.134  -2.336   5.804
  373   HG13  VAL  66          3HG1      VAL  66  -0.413  -3.684   4.783
  374   HG21  VAL  66          3HG2      VAL  66  -1.393  -2.306   3.146
  375   HG22  VAL  66          1HG2      VAL  66  -0.997  -0.819   4.031
  376   HG23  VAL  66          2HG2      VAL  66  -0.528  -1.010   2.329
  377    H    THR  67           H        THR  67   2.375  -1.099   6.395
  378    HA   THR  67           HA       THR  67   4.799  -2.850   6.131
  379    HB   THR  67           HB       THR  67   4.432  -0.686   8.246
  380    HG1  THR  67           1HG      THR  67   4.705   0.265   6.216
  381   HG21  THR  67          3HG2      THR  67   6.874  -1.008   8.548
  382   HG22  THR  67          1HG2      THR  67   5.967  -2.484   8.911
  383   HG23  THR  67          2HG2      THR  67   6.842  -2.336   7.371
  384    H    PHE  68           H        PHE  68   4.824  -4.564   7.537
  385    HA   PHE  68           HA       PHE  68   2.344  -5.053   9.092
  386    HB2  PHE  68           1HB      PHE  68   4.529  -6.857   8.018
  387    HB3  PHE  68           2HB      PHE  68   3.253  -7.410   9.094
  388    HD1  PHE  68           2HD      PHE  68   0.913  -7.509   8.399
  389    HD2  PHE  68           1HD      PHE  68   3.990  -6.221   5.669
  390    HE1  PHE  68           2HE      PHE  68  -0.656  -7.779   6.499
  391    HE2  PHE  68           1HE      PHE  68   2.415  -6.490   3.769
  392    HZ   PHE  68           HZ       PHE  68   0.091  -7.258   4.186
  393    H    MET  69           H        MET  69   2.368  -5.890  11.210
  394    HA   MET  69           HA       MET  69   4.311  -4.821  13.045
  395    HB2  MET  69           1HB      MET  69   2.113  -6.895  13.337
  396    HB3  MET  69           2HB      MET  69   3.113  -6.355  14.688
  397    HG2  MET  69           1HG      MET  69   1.394  -4.516  12.979
  398    HG3  MET  69           2HG      MET  69   0.957  -5.164  14.558
  399    HE1  MET  69           3HE      MET  69   1.446  -1.485  15.538
  400    HE2  MET  69           1HE      MET  69   0.609  -2.226  14.158
  401    HE3  MET  69           2HE      MET  69   0.477  -2.954  15.772
  402    H    ASP  70           H        ASP  70   4.476  -7.655  11.131
  403    HA   ASP  70           HA       ASP  70   7.139  -8.224  12.147
  404    HB2  ASP  70           1HB      ASP  70   5.583  -9.654  13.579
  405    HB3  ASP  70           2HB      ASP  70   5.105 -10.483  12.092
  406    H    GLN  71           H        GLN  71   8.338  -9.578  10.678
  407    HA   GLN  71           HA       GLN  71   7.889  -9.106   7.904
  408    HB2  GLN  71           1HB      GLN  71  10.076  -9.543   9.100
  409    HB3  GLN  71           2HB      GLN  71   9.598 -11.227   9.265
  410    HG2  GLN  71           1HG      GLN  71  11.145 -10.974   7.396
  411    HG3  GLN  71           2HG      GLN  71   9.577 -11.475   6.792
  412   HE21  GLN  71          2HE2      GLN  71  10.445 -10.648   4.672
  413   HE22  GLN  71          1HE2      GLN  71  10.347  -8.922   4.363
  414    H    ALA  72           H        ALA  72   6.827 -11.781   9.986
  415    HA   ALA  72           HA       ALA  72   6.151 -13.691   8.022
  416    HB1  ALA  72           1HB      ALA  72   6.113 -14.088  10.459
  417    HB2  ALA  72           2HB      ALA  72   4.718 -12.998  10.627
  418    HB3  ALA  72           3HB      ALA  72   4.559 -14.519   9.722
  419    H    GLY  73           H        GLY  73   4.455 -10.642   8.755
  420    HA2  GLY  73           1HA      GLY  73   2.078 -11.326   7.196
  421    HA3  GLY  73           2HA      GLY  73   2.563  -9.706   7.748
  422    H    VAL  74           H        VAL  74   5.236  -9.988   6.435
  423    HA   VAL  74           HA       VAL  74   4.519  -9.100   3.728
  424    HB   VAL  74           HB       VAL  74   7.231  -9.614   5.014
  425   HG11  VAL  74          1HG1      VAL  74   7.528  -9.996   2.654
  426   HG12  VAL  74          2HG1      VAL  74   6.628  -8.522   2.244
  427   HG13  VAL  74          3HG1      VAL  74   8.200  -8.419   3.060
  428   HG21  VAL  74          3HG2      VAL  74   7.443  -7.162   4.945
  429   HG22  VAL  74          1HG2      VAL  74   5.797  -7.031   4.299
  430   HG23  VAL  74          2HG2      VAL  74   6.071  -7.661   5.940
  431    H    ASP  75           H        ASP  75   6.088 -11.979   5.240
  432    HA   ASP  75           HA       ASP  75   6.624 -13.464   2.922
  433    HB2  ASP  75           1HB      ASP  75   7.292 -13.957   5.335
  434    HB3  ASP  75           2HB      ASP  75   5.675 -14.566   5.604
  435    H    LYS  76           H        LYS  76   3.618 -13.408   4.867
  436    HA   LYS  76           HA       LYS  76   2.183 -15.384   3.397
  437    HB2  LYS  76           1HB      LYS  76   1.349 -13.009   5.107
  438    HB3  LYS  76           2HB      LYS  76   0.194 -14.172   4.443
  439    HG2  LYS  76           1HG      LYS  76   1.083 -15.993   5.670
  440    HG3  LYS  76           2HG      LYS  76   2.524 -15.077   6.161
  441    HD2  LYS  76           1HD      LYS  76   1.203 -13.585   7.540
  442    HD3  LYS  76           2HD      LYS  76  -0.318 -14.217   6.880
  443    HE2  LYS  76           1HE      LYS  76  -0.028 -16.337   7.935
  444    HE3  LYS  76           2HE      LYS  76   1.625 -15.946   8.450
  445    HZ1  LYS  76           3HZ      LYS  76  -0.090 -15.670  10.225
  446    HZ2  LYS  76           1HZ      LYS  76   0.753 -14.297   9.941
  447    HZ3  LYS  76           2HZ      LYS  76  -0.763 -14.440   9.366
  448    H    VAL  77           H        VAL  77   2.505 -11.903   2.810
  449    HA   VAL  77           HA       VAL  77   0.430 -11.848   0.777
  450    HB   VAL  77           HB       VAL  77   2.602  -9.847   1.445
  451   HG11  VAL  77          1HG1      VAL  77   2.015  -9.503  -0.934
  452   HG12  VAL  77          2HG1      VAL  77   0.286  -9.521  -0.516
  453   HG13  VAL  77          3HG1      VAL  77   1.338  -8.216   0.068
  454   HG21  VAL  77          3HG2      VAL  77   0.691  -8.571   2.372
  455   HG22  VAL  77          1HG2      VAL  77  -0.439  -9.837   1.841
  456   HG23  VAL  77          2HG2      VAL  77   0.732 -10.177   3.117
  457    H    LEU  78           H        LEU  78   4.013 -12.082   0.638
  458    HA   LEU  78           HA       LEU  78   4.203 -12.153  -2.237
  459    HB2  LEU  78           1HB      LEU  78   5.980 -13.416  -0.118
  460    HB3  LEU  78           2HB      LEU  78   6.452 -13.069  -1.780
  461    HG   LEU  78           HG       LEU  78   5.635 -10.907   0.213
  462   HD11  LEU  78          1HD1      LEU  78   7.521 -12.194   1.034
  463   HD12  LEU  78          2HD1      LEU  78   8.354 -12.067  -0.527
  464   HD13  LEU  78          3HD1      LEU  78   8.112 -10.607   0.469
  465   HD21  LEU  78          3HD2      LEU  78   6.833  -9.401  -1.336
  466   HD22  LEU  78          1HD2      LEU  78   7.084 -10.753  -2.463
  467   HD23  LEU  78          2HD2      LEU  78   5.439 -10.169  -2.106
  468    H    ALA  79           H        ALA  79   3.820 -14.685   0.211
  469    HA   ALA  79           HA       ALA  79   4.124 -16.890  -1.507
  470    HB1  ALA  79           1HB      ALA  79   4.315 -17.001   0.940
  471    HB2  ALA  79           2HB      ALA  79   2.574 -16.668   1.112
  472    HB3  ALA  79           3HB      ALA  79   3.127 -18.180   0.363
  473    H    GLN  80           H        GLN  80   1.495 -14.713  -1.592
  474    HA   GLN  80           HA       GLN  80  -0.336 -16.737  -2.815
  475    HB2  GLN  80           1HB      GLN  80  -1.208 -15.573  -0.833
  476    HB3  GLN  80           2HB      GLN  80  -0.948 -14.009  -1.613
  477    HG2  GLN  80           1HG      GLN  80  -2.573 -14.556  -3.357
  478    HG3  GLN  80           2HG      GLN  80  -2.748 -16.202  -2.747
  479   HE21  GLN  80          2HE2      GLN  80  -4.428 -13.402  -2.881
  480   HE22  GLN  80          1HE2      GLN  80  -5.319 -13.554  -1.364
  481    H    SER  81           H        SER  81  -0.875 -16.559  -4.950
  482    HA   SER  81           HA       SER  81   0.857 -14.927  -6.565
  483    HB2  SER  81           1HB      SER  81  -1.369 -16.799  -7.430
  484    HB3  SER  81           2HB      SER  81   0.002 -16.241  -8.405
  485    HG   SER  81           HG       SER  81   0.359 -18.351  -7.543
  486    H    ARG  82           H        ARG  82  -2.237 -14.111  -5.412
  487    HA   ARG  82           HA       ARG  82  -2.574 -11.901  -7.281
  488    HB2  ARG  82           1HB      ARG  82  -3.448 -13.886  -8.553
  489    HB3  ARG  82           2HB      ARG  82  -4.637 -14.150  -7.279
  490    HG2  ARG  82           1HG      ARG  82  -5.674 -11.968  -7.751
  491    HG3  ARG  82           2HG      ARG  82  -4.416 -11.589  -8.939
  492    HD2  ARG  82           1HD      ARG  82  -6.342 -13.941  -9.130
  493    HD3  ARG  82           2HD      ARG  82  -6.610 -12.365  -9.898
  494    HE   ARG  82           HE       ARG  82  -4.077 -13.185 -10.745
  495   HH11  ARG  82          1HH1      ARG  82  -7.376 -14.401 -11.144
  496   HH12  ARG  82          2HH1      ARG  82  -7.009 -15.159 -12.665
  497   HH21  ARG  82          1HH2      ARG  82  -3.669 -14.191 -12.707
  498   HH22  ARG  82          2HH2      ARG  82  -4.940 -15.036 -13.536
  499    H    HIS  83           H        HIS  83  -4.046 -10.355  -6.558
  500    HA   HIS  83           HA       HIS  83  -5.520 -10.759  -4.011
  501    HB2  HIS  83           1HB      HIS  83  -3.344  -8.697  -4.551
  502    HB3  HIS  83           2HB      HIS  83  -4.457  -8.618  -3.184
  503    HD1  HIS  83           1HD      HIS  83  -4.114 -10.573  -1.279
  504    HD2  HIS  83           2HD      HIS  83  -1.234 -10.277  -4.328
  505    HE1  HIS  83           1HE      HIS  83  -2.055 -11.855  -0.457
  506    H    GLU  84           H        GLU  84  -7.122  -9.029  -3.620
  507    HA   GLU  84           HA       GLU  84  -7.781  -7.212  -5.843
  508    HB2  GLU  84           1HB      GLU  84  -8.654  -9.523  -6.462
  509    HB3  GLU  84           2HB      GLU  84  -9.709  -9.423  -5.050
  510    HG2  GLU  84           1HG      GLU  84 -10.647  -7.262  -6.047
  511    HG3  GLU  84           2HG      GLU  84  -9.693  -7.603  -7.494
  512    H    LEU  85           H        LEU  85  -8.783  -5.450  -5.136
  513    HA   LEU  85           HA       LEU  85 -10.364  -5.396  -2.650
  514    HB2  LEU  85           1HB      LEU  85  -8.083  -5.081  -1.837
  515    HB3  LEU  85           2HB      LEU  85  -7.775  -3.852  -3.070
  516    HG   LEU  85           HG       LEU  85  -9.420  -2.341  -1.977
  517   HD11  LEU  85          1HD1      LEU  85 -10.940  -3.911  -0.885
  518   HD12  LEU  85          2HD1      LEU  85  -9.617  -4.580   0.088
  519   HD13  LEU  85          3HD1      LEU  85 -10.171  -2.918   0.364
  520   HD21  LEU  85          3HD2      LEU  85  -8.030  -1.839  -0.010
  521   HD22  LEU  85          1HD2      LEU  85  -7.263  -3.438  -0.119
  522   HD23  LEU  85          2HD2      LEU  85  -7.023  -2.243  -1.411
  523    H    ASP  86           H        ASP  86 -12.035  -4.043  -2.873
  524    HA   ASP  86           HA       ASP  86 -13.633  -2.844  -3.894
  525    HB2  ASP  86           1HB      ASP  86 -12.041  -1.010  -3.249
  526    HB3  ASP  86           2HB      ASP  86 -11.430  -1.016  -4.902
  527    H    SER  87           H        SER  87 -12.852  -5.099  -5.271
  528    HA   SER  87           HA       SER  87 -13.151  -6.246  -7.204
  529    HB2  SER  87           1HB      SER  87 -14.617  -3.787  -8.213
  530    HB3  SER  87           2HB      SER  87 -14.702  -5.426  -8.867
  531    HG   SER  87           HG       SER  87 -16.462  -4.950  -7.445
  532    H    LYS  88           H        LYS  88 -10.745  -4.378  -6.949
  533    HA   LYS  88           HA       LYS  88  -9.863  -4.421  -9.813
  534    HB2  LYS  88           1HB      LYS  88  -9.525  -2.392  -7.595
  535    HB3  LYS  88           2HB      LYS  88  -8.188  -2.616  -8.707
  536    HG2  LYS  88           1HG      LYS  88 -10.995  -2.111  -9.751
  537    HG3  LYS  88           2HG      LYS  88  -9.939  -0.787  -9.235
  538    HD2  LYS  88           1HD      LYS  88  -8.199  -1.495 -10.820
  539    HD3  LYS  88           2HD      LYS  88  -9.225  -2.826 -11.389
  540    HE2  LYS  88           1HE      LYS  88 -10.909  -1.253 -12.205
  541    HE3  LYS  88           2HE      LYS  88 -10.045   0.110 -11.489
  542    HZ1  LYS  88           3HZ      LYS  88  -9.511  -0.018 -13.820
  543    HZ2  LYS  88           1HZ      LYS  88  -8.155  -0.444 -12.993
  544    HZ3  LYS  88           2HZ      LYS  88  -9.066  -1.588 -13.716
  545    H    THR  89           H        THR  89  -8.171  -5.689 -10.226
  546    HA   THR  89           HA       THR  89  -7.010  -7.396  -8.203
  547    HB   THR  89           HB       THR  89  -6.062  -6.964 -11.060
  548    HG1  THR  89           1HG      THR  89  -7.507  -8.659 -11.515
  549   HG21  THR  89          3HG2      THR  89  -5.292  -9.308 -10.844
  550   HG22  THR  89          1HG2      THR  89  -4.519  -8.295  -9.617
  551   HG23  THR  89          2HG2      THR  89  -5.870  -9.357  -9.163
  552    H    ILE  90           H        ILE  90  -5.376  -6.903  -6.873
  553    HA   ILE  90           HA       ILE  90  -3.715  -4.489  -7.487
  554    HB   ILE  90           HB       ILE  90  -3.373  -4.144  -5.177
  555   HG12  ILE  90          1HG1      ILE  90  -4.952  -6.646  -4.544
  556   HG13  ILE  90          2HG1      ILE  90  -3.194  -6.453  -4.405
  557   HG21  ILE  90          1HG2      ILE  90  -5.540  -3.353  -6.227
  558   HG22  ILE  90          2HG2      ILE  90  -6.338  -4.782  -5.531
  559   HG23  ILE  90          3HG2      ILE  90  -5.647  -3.563  -4.474
  560   HD11  ILE  90          3HD1      ILE  90  -4.044  -6.167  -2.228
  561   HD12  ILE  90          1HD1      ILE  90  -3.600  -4.543  -2.805
  562   HD13  ILE  90          2HD1      ILE  90  -5.309  -5.047  -2.767
  563    H    ASP  91           H        ASP  91  -1.519  -4.471  -6.818
  564    HA   ASP  91           HA       ASP  91  -0.130  -7.113  -7.093
  565    HB2  ASP  91           1HB      ASP  91  -0.357  -6.013  -9.263
  566    HB3  ASP  91           2HB      ASP  91   0.371  -4.545  -8.611
  567    HA   PRO  92           HA       PRO  92   1.834  -4.797  -3.675
  568    HB2  PRO  92           1HB      PRO  92   1.521  -6.678  -1.683
  569    HB3  PRO  92           2HB      PRO  92   0.337  -5.413  -2.099
  570    HG2  PRO  92           1HG      PRO  92   0.126  -8.312  -2.602
  571    HG3  PRO  92           2HG      PRO  92  -1.145  -7.040  -2.615
  572    HD2  PRO  92           1HD      PRO  92   0.258  -8.225  -4.861
  573    HD3  PRO  92           2HD      PRO  92  -1.090  -7.067  -4.850
  574    H    LYS  93           H        LYS  93   3.921  -4.894  -3.071
  575    HA   LYS  93           HA       LYS  93   5.606  -7.287  -3.437
  576    HB2  LYS  93           1HB      LYS  93   6.903  -6.298  -5.261
  577    HB3  LYS  93           2HB      LYS  93   5.207  -6.410  -5.715
  578    HG2  LYS  93           1HG      LYS  93   5.012  -3.938  -4.935
  579    HG3  LYS  93           2HG      LYS  93   6.770  -3.930  -4.864
  580    HD2  LYS  93           1HD      LYS  93   6.069  -2.958  -6.949
  581    HD3  LYS  93           2HD      LYS  93   6.828  -4.522  -7.306
  582    HE2  LYS  93           1HE      LYS  93   4.614  -5.576  -7.529
  583    HE3  LYS  93           2HE      LYS  93   3.810  -4.090  -7.020
  584    HZ1  LYS  93           3HZ      LYS  93   3.839  -4.478  -9.436
  585    HZ2  LYS  93           1HZ      LYS  93   4.482  -3.033  -9.038
  586    HZ3  LYS  93           2HZ      LYS  93   5.466  -4.285  -9.474
  587    H    VAL  94           H        VAL  94   7.945  -6.786  -2.977
  588    HA   VAL  94           HA       VAL  94   8.157  -5.450  -0.451
  589    HB   VAL  94           HB       VAL  94  10.388  -6.369  -2.306
  590   HG11  VAL  94          1HG1      VAL  94  11.308  -4.768  -0.687
  591   HG12  VAL  94          2HG1      VAL  94  10.471  -5.593   0.649
  592   HG13  VAL  94          3HG1      VAL  94  11.789  -6.400  -0.229
  593   HG21  VAL  94          3HG2      VAL  94  10.484  -8.330  -0.757
  594   HG22  VAL  94          1HG2      VAL  94   9.043  -7.720   0.082
  595   HG23  VAL  94          2HG2      VAL  94   8.948  -8.238  -1.616
  596    H    ALA  95           H        ALA  95   8.790  -3.455   0.151
  597    HA   ALA  95           HA       ALA  95   8.662  -1.347  -1.855
  598    HB1  ALA  95           1HB      ALA  95   7.502  -1.147   0.295
  599    HB2  ALA  95           2HB      ALA  95   9.045  -1.294   1.167
  600    HB3  ALA  95           3HB      ALA  95   8.729   0.124   0.154
  601    H    PHE  96           H        PHE  96  10.217  -0.049  -2.627
  602    HA   PHE  96           HA       PHE  96  13.025  -0.456  -2.273
  603    HB2  PHE  96           1HB      PHE  96  11.537   2.051  -3.155
  604    HB3  PHE  96           2HB      PHE  96  13.234   1.726  -3.431
  605    HD1  PHE  96           1HD      PHE  96  12.553  -1.373  -4.269
  606    HD2  PHE  96           2HD      PHE  96  11.260   2.556  -5.513
  607    HE1  PHE  96           1HE      PHE  96  11.997  -2.258  -6.506
  608    HE2  PHE  96           2HE      PHE  96  10.709   1.659  -7.755
  609    HZ   PHE  96           HZ       PHE  96  11.070  -0.753  -8.257
  610    HA   PRO  97           HA       PRO  97  13.789   1.293   1.654
  611    HB2  PRO  97           1HB      PRO  97  16.311   2.407   1.425
  612    HB3  PRO  97           2HB      PRO  97  15.976   0.651   1.471
  613    HG2  PRO  97           1HG      PRO  97  16.355   2.411  -0.972
  614    HG3  PRO  97           2HG      PRO  97  17.144   0.841  -0.606
  615    HD2  PRO  97           1HD      PRO  97  14.991   0.945  -2.212
  616    HD3  PRO  97           2HD      PRO  97  15.128  -0.361  -0.999
  617    H    ARG  98           H        ARG  98  14.320   3.251   2.910
  618    HA   ARG  98           HA       ARG  98  13.281   5.717   1.619
  619    HB2  ARG  98           1HB      ARG  98  11.678   5.956   3.457
  620    HB3  ARG  98           2HB      ARG  98  11.410   4.563   2.434
  621    HG2  ARG  98           1HG      ARG  98  10.891   3.803   4.544
  622    HG3  ARG  98           2HG      ARG  98  12.464   3.101   4.216
  623    HD2  ARG  98           1HD      ARG  98  12.225   3.876   6.543
  624    HD3  ARG  98           2HD      ARG  98  13.528   4.725   5.723
  625    HE   ARG  98           HE       ARG  98  10.919   6.075   5.606
  626   HH11  ARG  98          1HH1      ARG  98  13.905   5.896   7.538
  627   HH12  ARG  98          2HH1      ARG  98  13.629   7.493   8.190
  628   HH21  ARG  98          1HH2      ARG  98  10.636   7.997   6.529
  629   HH22  ARG  98          2HH2      ARG  98  11.811   8.636   7.674
  630    H    ARG  99           H        ARG  99  13.750   7.656   2.499
  631    HA   ARG  99           HA       ARG  99  15.685   7.904   4.756
  632    HB2  ARG  99           1HB      ARG  99  16.116   8.871   1.901
  633    HB3  ARG  99           2HB      ARG  99  17.039   9.463   3.270
  634    HG2  ARG  99           1HG      ARG  99  17.053   6.556   2.339
  635    HG3  ARG  99           2HG      ARG  99  18.193   7.796   1.849
  636    HD2  ARG  99           1HD      ARG  99  19.352   6.696   3.514
  637    HD3  ARG  99           2HD      ARG  99  18.736   8.137   4.338
  638    HE   ARG  99           HE       ARG  99  16.923   5.889   4.575
  639   HH11  ARG  99          1HH1      ARG  99  19.942   7.089   5.988
  640   HH12  ARG  99          2HH1      ARG  99  19.718   6.173   7.448
  641   HH21  ARG  99          1HH2      ARG  99  16.717   4.728   6.429
  642   HH22  ARG  99          2HH2      ARG  99  17.900   4.852   7.703
  643    H    ALA 100           H        ALA 100  14.361   9.026   6.028
  644    HA   ALA 100           HA       ALA 100  13.993  11.831   5.697
  645    HB1  ALA 100           1HB      ALA 100  12.118  11.277   4.233
  646    HB2  ALA 100           2HB      ALA 100  11.473  10.118   5.409
  647    HB3  ALA 100           3HB      ALA 100  11.467  11.857   5.762
  648    H    GLN 101           H        GLN 101  12.800  12.770   7.612
  649    HA   GLN 101           HA       GLN 101  12.944  11.022  10.034
  650    HB2  GLN 101           1HB      GLN 101  13.943  13.886   9.714
  651    HB3  GLN 101           2HB      GLN 101  13.808  13.027  11.253
  652    HG2  GLN 101           1HG      GLN 101  15.414  11.309  10.431
  653    HG3  GLN 101           2HG      GLN 101  15.615  12.214   8.929
  654   HE21  GLN 101          2HE2      GLN 101  17.813  11.607  10.666
  655   HE22  GLN 101          1HE2      GLN 101  18.385  13.135  11.319
  656    HA   PRO 102           HA       PRO 102   8.885  12.833  10.719
  657    HB2  PRO 102           1HB      PRO 102   8.440  12.192  13.333
  658    HB3  PRO 102           2HB      PRO 102   8.448  10.976  12.020
  659    HG2  PRO 102           1HG      PRO 102  10.695  11.659  13.939
  660    HG3  PRO 102           2HG      PRO 102  10.096  10.042  13.458
  661    HD2  PRO 102           1HD      PRO 102  12.287  11.228  12.306
  662    HD3  PRO 102           2HD      PRO 102  11.197  10.142  11.393
  663    H    LYS 103           H        LYS 103   8.727  14.975  10.710
  664    HA   LYS 103           HA       LYS 103   9.711  16.688  12.922
  665    HB2  LYS 103           1HB      LYS 103  10.540  16.996  10.001
  666    HB3  LYS 103           2HB      LYS 103  10.760  18.218  11.256
  667    HG2  LYS 103           1HG      LYS 103  12.219  16.618  12.529
  668    HG3  LYS 103           2HG      LYS 103  12.038  15.450  11.220
  669    HD2  LYS 103           1HD      LYS 103  14.154  16.557  10.956
  670    HD3  LYS 103           2HD      LYS 103  13.086  16.986   9.628
  671    HE2  LYS 103           1HE      LYS 103  14.296  18.952  10.294
  672    HE3  LYS 103           2HE      LYS 103  12.600  19.176  10.718
  673    HZ1  LYS 103           3HZ      LYS 103  14.093  19.863  12.517
  674    HZ2  LYS 103           1HZ      LYS 103  13.178  18.615  13.026
  675    HZ3  LYS 103           2HZ      LYS 103  14.744  18.372  12.620
  676    H5'    G 104           H5'        G 104  -4.545  -0.253 -11.618
  677   H5''    G 104          H5"         G 104  -6.010   0.607 -11.125
  678    H4'    G 104           H4'        G 104  -4.548   1.048 -13.771
  679    H3'    G 104           H3'        G 104  -3.540   1.873 -11.356
  680    H2'    G 104           H2'        G 104  -5.445   2.957 -10.527
  681   HO2'    G 104          HO2         G 104  -3.861   4.764 -11.976
  682    H1'    G 104           H1'        G 104  -6.083   4.205 -13.196
  683    H8     G 104           8H         G 104  -7.564   2.351 -10.115
  684    H1     G 104           1H         G 104 -11.670   6.077 -13.388
  685    H21    G 104           1H2        G 104 -10.633   6.833 -15.242
  686    H22    G 104           2H2        G 104  -8.969   6.373 -15.552
  687   HO5'    G 104          H5T         G 104  -5.668  -1.178 -13.341
  688    H5'    U 105           H5'        U 105  -1.751   2.975 -10.485
  689   H5''    U 105          H5"         U 105  -0.641   3.958 -11.436
  690    H4'    U 105           H4'        U 105   0.341   3.163  -9.325
  691    H3'    U 105           H3'        U 105   1.626   3.253 -11.743
  692    H2'    U 105           H2'        U 105   1.237   0.990 -12.288
  693   HO2'    U 105          HO2         U 105   3.776   1.449 -11.473
  694    H1'    U 105           H1'        U 105   1.943   0.217  -9.456
  695    H3     U 105           3H         U 105   1.598  -4.154 -10.674
  696    H5     U 105           5H         U 105  -1.721  -2.413 -12.538
  697    H6     U 105           6H         U 105  -1.021  -0.243 -11.677
  698    H5'    A 106           H5'        A 106   3.510   4.425  -7.530
  699   H5''    A 106          H5"         A 106   3.750   5.805  -8.597
  700    H4'    A 106           H4'        A 106   4.838   6.288  -6.553
  701    H3'    A 106           H3'        A 106   6.211   6.477  -8.923
  702    H2'    A 106           H2'        A 106   7.217   4.350  -8.848
  703   HO2'    A 106          HO2         A 106   8.919   6.264  -7.708
  704    H1'    A 106           H1'        A 106   7.847   4.641  -5.913
  705    H8     A 106           8H         A 106   6.698   2.160  -8.693
  706    H61    A 106           1H6        A 106   8.778  -2.051  -4.504
  707    H62    A 106           2H6        A 106   8.201  -1.913  -6.165
  708    H2     A 106           2H         A 106   8.998   1.829  -2.689
  709    H5'    G 107           H5'        G 107   7.732   8.571  -4.485
  710   H5''    G 107          H5"         G 107   7.072   6.943  -4.300
  711    H4'    G 107           H4'        G 107   5.502   9.121  -2.992
  712    H3'    G 107           H3'        G 107   8.310   8.404  -2.107
  713    H2'    G 107           H2'        G 107   7.519   8.694   0.129
  714   HO2'    G 107          HO2         G 107   6.305  10.730  -0.583
  715    H1'    G 107           H1'        G 107   4.892   7.786  -0.376
  716    H8     G 107           8H         G 107   5.015   6.464   1.730
  717    H1     G 107           1H         G 107  10.405   3.385  -0.023
  718    H21    G 107           1H2        G 107  11.192   4.311  -1.894
  719    H22    G 107           2H2        G 107  10.257   5.533  -2.739
  720    H5'    U 108           H5'        U 108  10.482  12.198   0.486
  721   H5''    U 108          H5"         U 108  11.418  11.468  -0.817
  722    H4'    U 108           H4'        U 108  12.401  10.727   1.196
  723    H3'    U 108           H3'        U 108  11.475   8.844  -0.625
  724   HO3'    U 108          H3T         U 108  13.494   8.596   0.305
  725    H2'    U 108           H2'        U 108   9.467   8.421   0.545
  726   HO2'    U 108          HO2         U 108  11.480   6.645   1.051
  727    H1'    U 108           H1'        U 108  11.052   8.468   3.126
  728    H3     U 108           3H         U 108   7.362   7.359   5.544
  729    H5     U 108           5H         U 108   5.833  10.014   2.693
  730    H6     U 108           6H         U 108   8.072  10.213   1.731
  Start of MODEL   10
    1    H    CYS  20           1H       CYS  20  10.288  -5.260   5.973
    2    HA   CYS  20           HA       CYS  20   8.321  -6.556   6.328
    3    HB2  CYS  20           1HB      CYS  20   6.793  -5.997   8.227
    4    HB3  CYS  20           2HB      CYS  20   8.327  -6.674   8.746
    5    HG   CYS  20           HG       CYS  20   7.163  -4.590  10.186
    6    H    LYS  21           H        LYS  21   9.106  -3.905   4.867
    7    HA   LYS  21           HA       LYS  21   6.367  -2.729   4.725
    8    HB2  LYS  21           1HB      LYS  21   8.142  -1.247   5.567
    9    HB3  LYS  21           2HB      LYS  21   9.029  -1.431   4.048
   10    HG2  LYS  21           1HG      LYS  21   7.295  -0.313   2.800
   11    HG3  LYS  21           2HG      LYS  21   6.142  -0.459   4.128
   12    HD2  LYS  21           1HD      LYS  21   7.533   1.095   5.496
   13    HD3  LYS  21           2HD      LYS  21   8.644   1.283   4.123
   14    HE2  LYS  21           1HE      LYS  21   6.894   2.221   2.738
   15    HE3  LYS  21           2HE      LYS  21   5.643   1.832   3.932
   16    HZ1  LYS  21           3HZ      LYS  21   6.508   4.194   3.842
   17    HZ2  LYS  21           1HZ      LYS  21   6.378   3.522   5.336
   18    HZ3  LYS  21           2HZ      LYS  21   7.854   3.662   4.590
   19    H    MET  22           H        MET  22   5.359  -2.362   2.845
   20    HA   MET  22           HA       MET  22   6.428  -3.529   0.317
   21    HB2  MET  22           1HB      MET  22   3.750  -4.134   1.647
   22    HB3  MET  22           2HB      MET  22   4.217  -4.629   0.018
   23    HG2  MET  22           1HG      MET  22   6.185  -5.861   1.031
   24    HG3  MET  22           2HG      MET  22   5.546  -5.454   2.617
   25    HE1  MET  22           3HE      MET  22   4.022  -8.567  -0.377
   26    HE2  MET  22           1HE      MET  22   3.946  -6.852  -0.831
   27    HE3  MET  22           2HE      MET  22   5.509  -7.605  -0.429
   28    H    PHE  23           H        PHE  23   5.816  -2.616  -1.480
   29    HA   PHE  23           HA       PHE  23   4.171  -0.141  -1.579
   30    HB2  PHE  23           1HB      PHE  23   6.216  -0.058  -2.850
   31    HB3  PHE  23           2HB      PHE  23   5.960  -1.663  -3.517
   32    HD1  PHE  23           1HD      PHE  23   4.202  -2.052  -5.281
   33    HD2  PHE  23           2HD      PHE  23   5.208   1.900  -3.895
   34    HE1  PHE  23           1HE      PHE  23   3.175  -1.090  -7.307
   35    HE2  PHE  23           2HE      PHE  23   4.174   2.850  -5.929
   36    HZ   PHE  23           HZ       PHE  23   3.160   1.381  -7.642
   37    H    ILE  24           H        ILE  24   2.137  -0.167  -2.506
   38    HA   ILE  24           HA       ILE  24   0.986  -2.841  -3.271
   39    HB   ILE  24           HB       ILE  24  -0.565  -0.618  -1.923
   40   HG12  ILE  24          1HG1      ILE  24   1.092  -1.165  -0.267
   41   HG13  ILE  24          2HG1      ILE  24  -0.497  -1.729   0.192
   42   HG21  ILE  24          1HG2      ILE  24  -1.801  -2.315  -3.234
   43   HG22  ILE  24          2HG2      ILE  24  -1.098  -3.603  -2.249
   44   HG23  ILE  24          3HG2      ILE  24  -2.179  -2.402  -1.509
   45   HD11  ILE  24          3HD1      ILE  24   1.352  -3.297   0.783
   46   HD12  ILE  24          1HD1      ILE  24   0.110  -4.036  -0.229
   47   HD13  ILE  24          2HD1      ILE  24   1.666  -3.559  -0.936
   48    H    GLY  25           H        GLY  25   1.033  -2.667  -5.489
   49    HA2  GLY  25           1HA      GLY  25   0.096  -0.189  -6.832
   50    HA3  GLY  25           2HA      GLY  25   0.814  -1.628  -7.584
   51    H    GLY  26           H        GLY  26  -1.365  -0.430  -8.718
   52    HA2  GLY  26           1HA      GLY  26  -3.142  -1.272  -9.926
   53    HA3  GLY  26           2HA      GLY  26  -3.001  -2.803  -9.039
   54    H    LEU  27           H        LEU  27  -3.471   0.042  -7.113
   55    HA   LEU  27           HA       LEU  27  -5.954  -0.952  -5.990
   56    HB2  LEU  27           1HB      LEU  27  -4.601   1.767  -5.708
   57    HB3  LEU  27           2HB      LEU  27  -5.887   1.151  -4.695
   58    HG   LEU  27           HG       LEU  27  -3.049   0.047  -4.820
   59   HD11  LEU  27          1HD1      LEU  27  -3.387   2.241  -3.657
   60   HD12  LEU  27          2HD1      LEU  27  -4.592   1.488  -2.615
   61   HD13  LEU  27          3HD1      LEU  27  -2.898   0.944  -2.548
   62   HD21  LEU  27          3HD2      LEU  27  -3.882  -1.292  -2.794
   63   HD22  LEU  27          1HD2      LEU  27  -5.516  -1.000  -3.419
   64   HD23  LEU  27          2HD2      LEU  27  -4.306  -1.846  -4.412
   65    H    SER  28           H        SER  28  -7.871   0.542  -5.707
   66    HA   SER  28           HA       SER  28  -8.853   1.532  -8.326
   67    HB2  SER  28           1HB      SER  28 -10.412   0.223  -7.038
   68    HB3  SER  28           2HB      SER  28 -10.152   1.226  -5.602
   69    HG   SER  28           HG       SER  28 -12.091   1.700  -6.909
   70    H    TRP  29           H        TRP  29  -9.438   3.722  -8.668
   71    HA   TRP  29           HA       TRP  29  -7.999   5.817  -7.374
   72    HB2  TRP  29           1HB      TRP  29 -10.497   5.885  -9.075
   73    HB3  TRP  29           2HB      TRP  29  -9.590   7.305  -8.570
   74    HD1  TRP  29           HD       TRP  29  -6.683   5.737  -9.180
   75    HE1  TRP  29           1HE      TRP  29  -5.878   5.665 -11.584
   76    HE3  TRP  29           3HE      TRP  29 -11.135   6.683 -11.535
   77    HZ2  TRP  29           2HZ      TRP  29  -6.986   6.109 -14.234
   78    HZ3  TRP  29           3HZ      TRP  29 -11.225   6.850 -14.009
   79    HH2  TRP  29           HH       TRP  29  -9.163   6.567 -15.365
   80    H    GLN  30           H        GLN  30 -10.603   4.089  -6.102
   81    HA   GLN  30           HA       GLN  30 -11.132   6.238  -4.076
   82    HB2  GLN  30           1HB      GLN  30 -13.018   4.128  -5.199
   83    HB3  GLN  30           2HB      GLN  30 -13.405   5.185  -3.843
   84    HG2  GLN  30           1HG      GLN  30 -12.753   6.204  -6.649
   85    HG3  GLN  30           2HG      GLN  30 -14.369   5.919  -6.027
   86   HE21  GLN  30          2HE2      GLN  30 -11.470   8.043  -5.634
   87   HE22  GLN  30          1HE2      GLN  30 -12.379   9.287  -4.792
   88    H    THR  31           H        THR  31  -9.245   3.615  -4.296
   89    HA   THR  31           HA       THR  31  -9.901   2.231  -1.822
   90    HB   THR  31           HB       THR  31  -7.258   2.496  -3.319
   91    HG1  THR  31           1HG      THR  31  -9.276   0.502  -3.219
   92   HG21  THR  31          3HG2      THR  31  -6.741   0.332  -2.092
   93   HG22  THR  31          1HG2      THR  31  -6.753   1.764  -1.063
   94   HG23  THR  31          2HG2      THR  31  -8.137   0.645  -1.051
   95    H    THR  32           H        THR  32  -9.183   2.616   0.227
   96    HA   THR  32           HA       THR  32  -7.648   5.121   0.786
   97    HB   THR  32           HB       THR  32  -8.869   5.337   2.878
   98    HG1  THR  32           1HG      THR  32 -10.716   3.922   3.160
   99   HG21  THR  32          3HG2      THR  32 -11.049   5.992   2.064
  100   HG22  THR  32          1HG2      THR  32  -9.848   6.392   0.825
  101   HG23  THR  32          2HG2      THR  32 -10.891   4.966   0.625
  102    H    GLN  33           H        GLN  33  -6.346   5.049   2.730
  103    HA   GLN  33           HA       GLN  33  -4.833   2.597   2.967
  104    HB2  GLN  33           1HB      GLN  33  -3.548   3.845   4.688
  105    HB3  GLN  33           2HB      GLN  33  -3.664   4.576   3.098
  106    HG2  GLN  33           1HG      GLN  33  -5.510   6.087   4.028
  107    HG3  GLN  33           2HG      GLN  33  -5.031   5.506   5.630
  108   HE21  GLN  33          2HE2      GLN  33  -3.442   6.864   6.597
  109   HE22  GLN  33          1HE2      GLN  33  -2.352   7.878   5.667
  110    H    GLU  34           H        GLU  34  -7.551   3.827   4.788
  111    HA   GLU  34           HA       GLU  34  -7.329   1.864   6.939
  112    HB2  GLU  34           1HB      GLU  34  -9.717   3.420   5.858
  113    HB3  GLU  34           2HB      GLU  34  -9.747   2.372   7.284
  114    HG2  GLU  34           1HG      GLU  34  -7.991   3.779   8.354
  115    HG3  GLU  34           2HG      GLU  34  -8.016   4.864   6.960
  116    H    GLY  35           H        GLY  35  -8.819   1.949   3.678
  117    HA2  GLY  35           1HA      GLY  35 -10.025  -0.666   3.751
  118    HA3  GLY  35           2HA      GLY  35  -9.599   0.285   2.307
  119    H    LEU  36           H        LEU  36  -6.743   0.488   2.821
  120    HA   LEU  36           HA       LEU  36  -5.767  -2.093   2.052
  121    HB2  LEU  36           1HB      LEU  36  -4.162   0.144   3.394
  122    HB3  LEU  36           2HB      LEU  36  -3.515  -1.252   2.563
  123    HG   LEU  36           HG       LEU  36  -4.922   1.120   1.320
  124   HD11  LEU  36          1HD1      LEU  36  -2.507   1.326   1.880
  125   HD12  LEU  36          2HD1      LEU  36  -2.169  -0.104   0.878
  126   HD13  LEU  36          3HD1      LEU  36  -2.800   1.373   0.130
  127   HD21  LEU  36          3HD2      LEU  36  -4.570  -0.024  -0.864
  128   HD22  LEU  36          1HD2      LEU  36  -4.193  -1.525   0.008
  129   HD23  LEU  36          2HD2      LEU  36  -5.804  -0.769   0.147
  130    H    ARG  37           H        ARG  37  -5.656  -0.532   5.321
  131    HA   ARG  37           HA       ARG  37  -4.586  -2.815   6.633
  132    HB2  ARG  37           1HB      ARG  37  -4.762  -0.629   7.706
  133    HB3  ARG  37           2HB      ARG  37  -6.528  -0.701   7.666
  134    HG2  ARG  37           1HG      ARG  37  -6.536  -2.623   9.211
  135    HG3  ARG  37           2HG      ARG  37  -4.766  -2.684   9.174
  136    HD2  ARG  37           1HD      ARG  37  -4.763  -0.327  10.075
  137    HD3  ARG  37           2HD      ARG  37  -6.527  -0.429  10.190
  138    HE   ARG  37           HE       ARG  37  -4.884  -2.487  11.610
  139   HH11  ARG  37          1HH1      ARG  37  -6.800   0.481  11.987
  140   HH12  ARG  37          2HH1      ARG  37  -7.109   0.163  13.667
  141   HH21  ARG  37          1HH2      ARG  37  -5.420  -2.881  13.721
  142   HH22  ARG  37          2HH2      ARG  37  -6.307  -1.692  14.650
  143    H    GLU  38           H        GLU  38  -7.977  -2.052   5.880
  144    HA   GLU  38           HA       GLU  38  -9.185  -4.207   7.174
  145    HB2  GLU  38           1HB      GLU  38 -10.113  -2.107   5.733
  146    HB3  GLU  38           2HB      GLU  38 -10.320  -3.368   4.514
  147    HG2  GLU  38           1HG      GLU  38 -11.563  -4.714   6.241
  148    HG3  GLU  38           2HG      GLU  38 -11.350  -3.366   7.369
  149    H    TYR  39           H        TYR  39  -7.629  -4.177   3.964
  150    HA   TYR  39           HA       TYR  39  -8.334  -6.971   3.377
  151    HB2  TYR  39           1HB      TYR  39  -8.186  -5.220   1.645
  152    HB3  TYR  39           2HB      TYR  39  -6.469  -5.022   1.975
  153    HD1  TYR  39           1HD      TYR  39  -9.036  -7.565   0.970
  154    HD2  TYR  39           2HD      TYR  39  -4.876  -6.438   0.889
  155    HE1  TYR  39           1HE      TYR  39  -8.540  -9.529  -0.465
  156    HE2  TYR  39           2HE      TYR  39  -4.372  -8.386  -0.562
  157    HH   TYR  39           HH       TYR  39  -6.927 -10.747  -1.520
  158    H    PHE  40           H        PHE  40  -5.394  -5.180   4.335
  159    HA   PHE  40           HA       PHE  40  -3.747  -7.542   4.148
  160    HB2  PHE  40           1HB      PHE  40  -3.247  -4.659   4.846
  161    HB3  PHE  40           2HB      PHE  40  -1.994  -5.836   5.097
  162    HD1  PHE  40           2HD      PHE  40  -1.747  -7.603   2.975
  163    HD2  PHE  40           1HD      PHE  40  -3.289  -3.589   2.721
  164    HE1  PHE  40           2HE      PHE  40  -1.332  -7.593   0.533
  165    HE2  PHE  40           1HE      PHE  40  -2.896  -3.590   0.285
  166    HZ   PHE  40           HZ       PHE  40  -1.916  -5.589  -0.822
  167    H    GLY  41           H        GLY  41  -5.515  -6.159   6.801
  168    HA2  GLY  41           1HA      GLY  41  -4.158  -7.415   8.972
  169    HA3  GLY  41           2HA      GLY  41  -5.859  -6.930   8.930
  170    H    GLN  42           H        GLN  42  -5.852  -8.933   6.416
  171    HA   GLN  42           HA       GLN  42  -6.697 -11.365   7.780
  172    HB2  GLN  42           1HB      GLN  42  -5.950 -10.886   4.860
  173    HB3  GLN  42           2HB      GLN  42  -6.816 -12.283   5.498
  174    HG2  GLN  42           1HG      GLN  42  -8.699 -10.802   6.183
  175    HG3  GLN  42           2HG      GLN  42  -7.842  -9.414   5.505
  176   HE21  GLN  42          2HE2      GLN  42  -7.295  -9.518   3.126
  177   HE22  GLN  42          1HE2      GLN  42  -8.428 -10.365   2.076
  178    H    PHE  43           H        PHE  43  -3.651 -10.163   6.509
  179    HA   PHE  43           HA       PHE  43  -2.323 -12.820   6.698
  180    HB2  PHE  43           1HB      PHE  43  -1.293 -10.182   5.584
  181    HB3  PHE  43           2HB      PHE  43  -0.561 -11.762   5.400
  182    HD1  PHE  43           1HD      PHE  43  -1.594 -13.459   3.869
  183    HD2  PHE  43           2HD      PHE  43  -3.240  -9.520   4.269
  184    HE1  PHE  43           1HE      PHE  43  -2.905 -13.798   1.788
  185    HE2  PHE  43           2HE      PHE  43  -4.556  -9.837   2.191
  186    HZ   PHE  43           HZ       PHE  43  -4.398 -11.989   0.952
  187    H    GLY  44           H        GLY  44  -2.216  -9.533   8.034
  188    HA2  GLY  44           1HA      GLY  44  -1.464 -10.329  10.634
  189    HA3  GLY  44           2HA      GLY  44   0.000  -9.794   9.823
  190    H    GLU  45           H        GLU  45  -1.337  -8.508  12.091
  191    HA   GLU  45           HA       GLU  45  -2.741  -6.157  11.275
  192    HB2  GLU  45           1HB      GLU  45  -2.730  -7.010  13.586
  193    HB3  GLU  45           2HB      GLU  45  -1.007  -6.657  13.728
  194    HG2  GLU  45           1HG      GLU  45  -2.389  -4.972  14.852
  195    HG3  GLU  45           2HG      GLU  45  -1.437  -4.252  13.566
  196    H    VAL  46           H        VAL  46  -2.000  -3.980  11.081
  197    HA   VAL  46           HA       VAL  46   0.664  -3.895   9.771
  198    HB   VAL  46           HB       VAL  46  -0.147  -2.272   8.295
  199   HG11  VAL  46          1HG1      VAL  46  -0.666  -4.652   7.770
  200   HG12  VAL  46          2HG1      VAL  46  -2.283  -4.441   8.483
  201   HG13  VAL  46          3HG1      VAL  46  -1.822  -3.522   7.045
  202   HG21  VAL  46          3HG2      VAL  46  -2.533  -1.551   8.219
  203   HG22  VAL  46          1HG2      VAL  46  -2.712  -2.192   9.872
  204   HG23  VAL  46          2HG2      VAL  46  -1.586  -0.858   9.543
  205    H    LYS  47           H        LYS  47   2.124  -2.509  10.216
  206    HA   LYS  47           HA       LYS  47   2.121  -0.930  12.693
  207    HB2  LYS  47           1HB      LYS  47   3.945  -2.457  11.877
  208    HB3  LYS  47           2HB      LYS  47   4.217  -1.380  10.511
  209    HG2  LYS  47           1HG      LYS  47   4.833   0.452  12.069
  210    HG3  LYS  47           2HG      LYS  47   4.527  -0.615  13.445
  211    HD2  LYS  47           1HD      LYS  47   6.648  -1.023  11.289
  212    HD3  LYS  47           2HD      LYS  47   6.929  -0.404  12.922
  213    HE2  LYS  47           1HE      LYS  47   6.061  -2.572  13.856
  214    HE3  LYS  47           2HE      LYS  47   5.909  -3.191  12.205
  215    HZ1  LYS  47           3HZ      LYS  47   7.998  -3.879  13.206
  216    HZ2  LYS  47           1HZ      LYS  47   8.312  -2.886  11.943
  217    HZ3  LYS  47           2HZ      LYS  47   8.448  -2.332  13.478
  218    H    GLU  48           H        GLU  48   1.806  -0.377   9.252
  219    HA   GLU  48           HA       GLU  48   1.120   2.435   9.510
  220    HB2  GLU  48           1HB      GLU  48   3.595   2.580   9.557
  221    HB3  GLU  48           2HB      GLU  48   3.694   1.613   8.087
  222    HG2  GLU  48           1HG      GLU  48   2.601   3.393   6.794
  223    HG3  GLU  48           2HG      GLU  48   2.382   4.351   8.266
  224    H    CYS  49           H        CYS  49  -0.053   3.100   7.684
  225    HA   CYS  49           HA       CYS  49   0.070   1.561   5.203
  226    HB2  CYS  49           1HB      CYS  49  -2.386   1.269   5.062
  227    HB3  CYS  49           2HB      CYS  49  -1.671   0.335   6.382
  228    HG   CYS  49           HG       CYS  49  -4.154   1.612   6.737
  229    H    LEU  50           H        LEU  50  -0.454   2.744   3.406
  230    HA   LEU  50           HA       LEU  50  -1.160   5.626   3.676
  231    HB2  LEU  50           1HB      LEU  50   1.340   4.465   2.401
  232    HB3  LEU  50           2HB      LEU  50   0.805   6.117   2.172
  233    HG   LEU  50           HG       LEU  50   1.662   4.960   4.848
  234   HD11  LEU  50          1HD1      LEU  50   3.502   5.059   3.184
  235   HD12  LEU  50          2HD1      LEU  50   3.144   6.771   2.877
  236   HD13  LEU  50          3HD1      LEU  50   3.729   6.242   4.475
  237   HD21  LEU  50          3HD2      LEU  50   1.747   7.345   5.546
  238   HD22  LEU  50          1HD2      LEU  50   1.093   7.835   3.968
  239   HD23  LEU  50          2HD2      LEU  50   0.102   6.882   5.092
  240    H    VAL  51           H        VAL  51  -2.063   6.492   1.875
  241    HA   VAL  51           HA       VAL  51  -1.871   5.058  -0.745
  242    HB   VAL  51           HB       VAL  51  -4.435   6.185   0.449
  243   HG11  VAL  51          1HG1      VAL  51  -4.293   6.984  -1.872
  244   HG12  VAL  51          2HG1      VAL  51  -3.879   5.347  -2.431
  245   HG13  VAL  51          3HG1      VAL  51  -5.485   5.695  -1.755
  246   HG21  VAL  51          3HG2      VAL  51  -5.339   3.942  -0.123
  247   HG22  VAL  51          1HG2      VAL  51  -3.742   3.444  -0.709
  248   HG23  VAL  51          2HG2      VAL  51  -3.990   3.818   1.009
  249    H    MET  52           H        MET  52  -1.123   6.347  -2.268
  250    HA   MET  52           HA       MET  52  -0.292   9.056  -1.493
  251    HB2  MET  52           1HB      MET  52   0.393   7.219  -3.809
  252    HB3  MET  52           2HB      MET  52   1.099   8.829  -3.578
  253    HG2  MET  52           1HG      MET  52   1.295   6.645  -1.474
  254    HG3  MET  52           2HG      MET  52   2.491   6.923  -2.716
  255    HE1  MET  52           3HE      MET  52   2.201   8.961   1.243
  256    HE2  MET  52           1HE      MET  52   0.745   8.340   0.431
  257    HE3  MET  52           2HE      MET  52   2.118   7.252   0.755
  258    H    ARG  53           H        ARG  53  -2.836   9.323  -1.630
  259    HA   ARG  53           HA       ARG  53  -3.922   9.845  -4.227
  260    HB2  ARG  53           1HB      ARG  53  -5.963  10.506  -3.030
  261    HB3  ARG  53           2HB      ARG  53  -5.309   8.982  -2.443
  262    HG2  ARG  53           1HG      ARG  53  -4.203  10.345  -0.545
  263    HG3  ARG  53           2HG      ARG  53  -5.233  11.689  -1.064
  264    HD2  ARG  53           1HD      ARG  53  -7.242  10.345  -0.682
  265    HD3  ARG  53           2HD      ARG  53  -6.279   8.918  -0.308
  266    HE   ARG  53           HE       ARG  53  -6.905  11.127   1.464
  267   HH11  ARG  53          1HH1      ARG  53  -4.390   8.688   0.931
  268   HH12  ARG  53          2HH1      ARG  53  -4.016   8.559   2.618
  269   HH21  ARG  53          1HH2      ARG  53  -6.305  10.989   3.618
  270   HH22  ARG  53          2HH2      ARG  53  -5.035   9.908   4.105
  271    H    ASP  54           H        ASP  54  -4.634  11.683  -5.178
  272    HA   ASP  54           HA       ASP  54  -3.215  14.193  -4.721
  273    HB2  ASP  54           1HB      ASP  54  -3.738  13.424  -6.975
  274    HB3  ASP  54           2HB      ASP  54  -5.454  13.340  -6.593
  275    HA   PRO  55           HA       PRO  55  -6.404  15.406  -1.836
  276    HB2  PRO  55           1HB      PRO  55  -5.536  17.872  -1.049
  277    HB3  PRO  55           2HB      PRO  55  -4.653  16.364  -0.666
  278    HG2  PRO  55           1HG      PRO  55  -4.123  18.304  -2.939
  279    HG3  PRO  55           2HG      PRO  55  -2.947  17.618  -1.776
  280    HD2  PRO  55           1HD      PRO  55  -3.345  16.557  -4.273
  281    HD3  PRO  55           2HD      PRO  55  -2.948  15.536  -2.857
  282    H    LEU  56           H        LEU  56  -6.134  17.014  -4.910
  283    HA   LEU  56           HA       LEU  56  -8.442  18.815  -4.398
  284    HB2  LEU  56           1HB      LEU  56  -6.507  18.371  -6.709
  285    HB3  LEU  56           2HB      LEU  56  -8.000  19.233  -6.940
  286    HG   LEU  56           HG       LEU  56  -6.147  20.751  -6.677
  287   HD11  LEU  56          1HD1      LEU  56  -8.409  21.456  -5.931
  288   HD12  LEU  56          2HD1      LEU  56  -7.997  20.981  -4.267
  289   HD13  LEU  56          3HD1      LEU  56  -7.106  22.287  -5.066
  290   HD21  LEU  56          3HD2      LEU  56  -4.900  21.074  -4.642
  291   HD22  LEU  56          1HD2      LEU  56  -5.818  19.813  -3.804
  292   HD23  LEU  56          2HD2      LEU  56  -4.728  19.384  -5.147
  293    H    THR  57           H        THR  57  -7.622  15.849  -6.140
  294    HA   THR  57           HA       THR  57 -10.446  15.591  -7.120
  295    HB   THR  57           HB       THR  57  -9.527  14.208  -8.887
  296    HG1  THR  57           1HG      THR  57  -6.992  14.837  -7.775
  297   HG21  THR  57          3HG2      THR  57  -8.281  15.850 -10.152
  298   HG22  THR  57          1HG2      THR  57  -9.576  16.665  -9.256
  299   HG23  THR  57          2HG2      THR  57  -7.896  16.773  -8.686
  300    H    LYS  58           H        LYS  58  -8.301  14.213  -4.893
  301    HA   LYS  58           HA       LYS  58  -8.318  12.451  -3.523
  302    HB2  LYS  58           1HB      LYS  58 -11.259  12.419  -4.268
  303    HB3  LYS  58           2HB      LYS  58 -10.561  11.245  -3.171
  304    HG2  LYS  58           1HG      LYS  58 -11.560  13.032  -1.931
  305    HG3  LYS  58           2HG      LYS  58  -9.828  12.968  -1.629
  306    HD2  LYS  58           1HD      LYS  58  -9.448  14.934  -3.011
  307    HD3  LYS  58           2HD      LYS  58 -11.139  14.968  -3.532
  308    HE2  LYS  58           1HE      LYS  58 -10.174  15.289  -0.648
  309    HE3  LYS  58           2HE      LYS  58 -10.464  16.638  -1.746
  310    HZ1  LYS  58           3HZ      LYS  58 -12.388  16.247  -0.354
  311    HZ2  LYS  58           1HZ      LYS  58 -12.788  15.942  -1.907
  312    HZ3  LYS  58           2HZ      LYS  58 -12.534  14.704  -0.866
  313    H    ARG  59           H        ARG  59  -8.149  12.079  -6.678
  314    HA   ARG  59           HA       ARG  59  -8.302   9.270  -7.228
  315    HB2  ARG  59           1HB      ARG  59  -6.502  11.479  -8.313
  316    HB3  ARG  59           2HB      ARG  59  -6.566   9.841  -8.970
  317    HG2  ARG  59           1HG      ARG  59  -8.921  10.090  -9.564
  318    HG3  ARG  59           2HG      ARG  59  -9.006  11.664  -8.770
  319    HD2  ARG  59           1HD      ARG  59  -8.840  12.020 -11.154
  320    HD3  ARG  59           2HD      ARG  59  -7.384  12.605 -10.363
  321    HE   ARG  59           HE       ARG  59  -6.121  11.060 -11.503
  322   HH11  ARG  59          1HH1      ARG  59  -9.491  10.032 -11.855
  323   HH12  ARG  59          2HH1      ARG  59  -9.082   8.793 -13.006
  324   HH21  ARG  59          1HH2      ARG  59  -5.679   9.481 -13.022
  325   HH22  ARG  59          2HH2      ARG  59  -6.970   8.517 -13.677
  326    H    SER  60           H        SER  60  -7.217   7.660  -6.359
  327    HA   SER  60           HA       SER  60  -5.130   7.948  -4.416
  328    HB2  SER  60           1HB      SER  60  -5.234   5.545  -4.315
  329    HB3  SER  60           2HB      SER  60  -6.886   6.143  -4.573
  330    HG   SER  60           HG       SER  60  -6.581   4.509  -6.024
  331    H    ARG  61           H        ARG  61  -4.818   8.064  -7.770
  332    HA   ARG  61           HA       ARG  61  -3.193   7.794  -9.313
  333    HB2  ARG  61           1HB      ARG  61  -1.218   7.609  -6.997
  334    HB3  ARG  61           2HB      ARG  61  -0.804   7.729  -8.699
  335    HG2  ARG  61           1HG      ARG  61  -1.897   9.939  -8.856
  336    HG3  ARG  61           2HG      ARG  61  -2.363   9.841  -7.154
  337    HD2  ARG  61           1HD      ARG  61  -0.366  11.216  -7.355
  338    HD3  ARG  61           2HD      ARG  61   0.010   9.724  -6.487
  339    HE   ARG  61           HE       ARG  61   0.538   9.796  -9.406
  340   HH11  ARG  61          1HH1      ARG  61   2.055  10.027  -6.180
  341   HH12  ARG  61          2HH1      ARG  61   3.586   9.455  -6.838
  342   HH21  ARG  61          1HH2      ARG  61   2.631   9.112 -10.058
  343   HH22  ARG  61          2HH2      ARG  61   3.881   9.003  -8.824
  344    H    GLY  62           H        GLY  62  -4.362   5.381  -7.532
  345    HA2  GLY  62           1HA      GLY  62  -4.608   3.153  -8.045
  346    HA3  GLY  62           2HA      GLY  62  -3.360   3.298  -9.307
  347    H    PHE  63           H        PHE  63  -2.342   4.378  -6.125
  348    HA   PHE  63           HA       PHE  63  -1.397   1.751  -5.338
  349    HB2  PHE  63           1HB      PHE  63   0.874   1.934  -5.739
  350    HB3  PHE  63           2HB      PHE  63   0.190   2.562  -7.216
  351    HD1  PHE  63           1HD      PHE  63   0.108   5.129  -7.525
  352    HD2  PHE  63           2HD      PHE  63   2.254   3.227  -4.308
  353    HE1  PHE  63           1HE      PHE  63   1.349   7.230  -7.101
  354    HE2  PHE  63           2HE      PHE  63   3.543   5.305  -3.942
  355    HZ   PHE  63           HZ       PHE  63   3.069   7.321  -5.279
  356    H    GLY  64           H        GLY  64  -0.064   1.683  -3.471
  357    HA2  GLY  64           1HA      GLY  64   0.253   4.037  -1.733
  358    HA3  GLY  64           2HA      GLY  64  -0.894   2.840  -1.160
  359    H    PHE  65           H        PHE  65   0.457   2.549   0.662
  360    HA   PHE  65           HA       PHE  65   2.587   0.529   0.302
  361    HB2  PHE  65           1HB      PHE  65   2.971   3.200   1.700
  362    HB3  PHE  65           2HB      PHE  65   3.941   1.803   2.080
  363    HD1  PHE  65           1HD      PHE  65   3.209   4.334  -0.562
  364    HD2  PHE  65           2HD      PHE  65   5.695   1.011   0.658
  365    HE1  PHE  65           1HE      PHE  65   4.889   4.946  -2.259
  366    HE2  PHE  65           2HE      PHE  65   7.365   1.643  -1.058
  367    HZ   PHE  65           HZ       PHE  65   6.965   3.636  -2.508
  368    H    VAL  66           H        VAL  66   2.884  -0.796   2.110
  369    HA   VAL  66           HA       VAL  66   1.378  -0.232   4.608
  370    HB   VAL  66           HB       VAL  66   1.042  -2.817   3.034
  371   HG11  VAL  66          1HG1      VAL  66   1.288  -3.433   5.401
  372   HG12  VAL  66          2HG1      VAL  66   0.107  -2.185   5.865
  373   HG13  VAL  66          3HG1      VAL  66  -0.395  -3.597   4.912
  374   HG21  VAL  66          3HG2      VAL  66  -1.381  -2.299   3.207
  375   HG22  VAL  66          1HG2      VAL  66  -1.003  -0.772   4.024
  376   HG23  VAL  66          2HG2      VAL  66  -0.521  -1.035   2.337
  377    H    THR  67           H        THR  67   2.405  -0.887   6.402
  378    HA   THR  67           HA       THR  67   4.838  -2.633   6.198
  379    HB   THR  67           HB       THR  67   4.388  -0.492   8.311
  380    HG1  THR  67           1HG      THR  67   4.682   0.496   6.311
  381   HG21  THR  67          3HG2      THR  67   6.823  -0.786   8.676
  382   HG22  THR  67          1HG2      THR  67   5.942  -2.294   8.970
  383   HG23  THR  67          2HG2      THR  67   6.852  -2.082   7.463
  384    H    PHE  68           H        PHE  68   4.820  -4.375   7.528
  385    HA   PHE  68           HA       PHE  68   2.331  -4.875   9.068
  386    HB2  PHE  68           1HB      PHE  68   4.518  -6.685   8.015
  387    HB3  PHE  68           2HB      PHE  68   3.193  -7.232   9.033
  388    HD1  PHE  68           2HD      PHE  68   4.011  -5.762   5.702
  389    HD2  PHE  68           1HD      PHE  68   0.952  -7.511   8.188
  390    HE1  PHE  68           2HE      PHE  68   2.533  -5.988   3.725
  391    HE2  PHE  68           1HE      PHE  68  -0.517  -7.749   6.206
  392    HZ   PHE  68           HZ       PHE  68   0.274  -6.980   3.972
  393    H    MET  69           H        MET  69   2.312  -5.709  11.190
  394    HA   MET  69           HA       MET  69   4.320  -4.711  13.022
  395    HB2  MET  69           1HB      MET  69   2.031  -6.675  13.415
  396    HB3  MET  69           2HB      MET  69   3.023  -6.023  14.720
  397    HG2  MET  69           1HG      MET  69   1.292  -4.391  12.830
  398    HG3  MET  69           2HG      MET  69   0.881  -4.812  14.482
  399    HE1  MET  69           3HE      MET  69   3.113  -2.496  16.615
  400    HE2  MET  69           1HE      MET  69   1.710  -3.584  16.581
  401    HE3  MET  69           2HE      MET  69   3.348  -4.228  16.290
  402    H    ASP  70           H        ASP  70   4.253  -7.557  11.128
  403    HA   ASP  70           HA       ASP  70   6.874  -8.307  12.114
  404    HB2  ASP  70           1HB      ASP  70   5.209  -9.616  13.578
  405    HB3  ASP  70           2HB      ASP  70   4.740 -10.466  12.100
  406    H    GLN  71           H        GLN  71   7.972  -9.710  10.646
  407    HA   GLN  71           HA       GLN  71   7.461  -9.275   7.867
  408    HB2  GLN  71           1HB      GLN  71   9.670  -9.680   9.051
  409    HB3  GLN  71           2HB      GLN  71   9.194 -11.360   9.250
  410    HG2  GLN  71           1HG      GLN  71  10.725 -11.141   7.365
  411    HG3  GLN  71           2HG      GLN  71   9.153 -11.642   6.772
  412   HE21  GLN  71          2HE2      GLN  71  10.192 -10.827   4.670
  413   HE22  GLN  71          1HE2      GLN  71  10.023  -9.114   4.327
  414    H    ALA  72           H        ALA  72   6.397 -11.845  10.049
  415    HA   ALA  72           HA       ALA  72   5.830 -13.890   8.198
  416    HB1  ALA  72           1HB      ALA  72   5.775 -14.134  10.660
  417    HB2  ALA  72           2HB      ALA  72   4.321 -13.106  10.733
  418    HB3  ALA  72           3HB      ALA  72   4.257 -14.687   9.925
  419    H    GLY  73           H        GLY  73   4.047 -10.867   8.630
  420    HA2  GLY  73           1HA      GLY  73   1.745 -11.801   7.047
  421    HA3  GLY  73           2HA      GLY  73   2.071 -10.133   7.555
  422    H    VAL  74           H        VAL  74   4.798 -10.151   6.418
  423    HA   VAL  74           HA       VAL  74   4.193  -9.351   3.682
  424    HB   VAL  74           HB       VAL  74   6.847  -9.754   5.120
  425   HG11  VAL  74          1HG1      VAL  74   7.347 -10.169   2.814
  426   HG12  VAL  74          2HG1      VAL  74   6.381  -8.780   2.280
  427   HG13  VAL  74          3HG1      VAL  74   7.883  -8.533   3.193
  428   HG21  VAL  74          3HG2      VAL  74   6.959  -7.282   4.962
  429   HG22  VAL  74          1HG2      VAL  74   5.324  -7.262   4.289
  430   HG23  VAL  74          2HG2      VAL  74   5.602  -7.841   5.948
  431    H    ASP  75           H        ASP  75   5.877 -12.151   5.204
  432    HA   ASP  75           HA       ASP  75   6.568 -13.619   2.952
  433    HB2  ASP  75           1HB      ASP  75   7.079 -14.135   5.365
  434    HB3  ASP  75           2HB      ASP  75   5.435 -14.712   5.565
  435    H    LYS  76           H        LYS  76   3.382 -13.703   4.620
  436    HA   LYS  76           HA       LYS  76   2.179 -15.644   2.884
  437    HB2  LYS  76           1HB      LYS  76   0.944 -13.413   4.540
  438    HB3  LYS  76           2HB      LYS  76   0.060 -14.772   3.811
  439    HG2  LYS  76           1HG      LYS  76   1.052 -16.377   5.244
  440    HG3  LYS  76           2HG      LYS  76   2.276 -15.236   5.824
  441    HD2  LYS  76           1HD      LYS  76   0.439 -13.792   6.751
  442    HD3  LYS  76           2HD      LYS  76  -0.748 -15.019   6.257
  443    HE2  LYS  76           1HE      LYS  76   0.363 -16.668   7.725
  444    HE3  LYS  76           2HE      LYS  76   1.579 -15.453   8.171
  445    HZ1  LYS  76           3HZ      LYS  76  -0.115 -15.530   9.863
  446    HZ2  LYS  76           1HZ      LYS  76  -0.272 -14.098   9.075
  447    HZ3  LYS  76           2HZ      LYS  76  -1.321 -15.318   8.782
  448    H    VAL  77           H        VAL  77   2.338 -12.094   2.654
  449    HA   VAL  77           HA       VAL  77   0.416 -11.905   0.503
  450    HB   VAL  77           HB       VAL  77   2.496  -9.924   1.476
  451   HG11  VAL  77          1HG1      VAL  77   1.948  -9.325  -0.861
  452   HG12  VAL  77          2HG1      VAL  77   0.214  -9.433  -0.487
  453   HG13  VAL  77          3HG1      VAL  77   1.220  -8.180   0.267
  454   HG21  VAL  77          3HG2      VAL  77   0.567  -8.819   2.526
  455   HG22  VAL  77          1HG2      VAL  77  -0.558  -9.969   1.776
  456   HG23  VAL  77          2HG2      VAL  77   0.551 -10.513   3.032
  457    H    LEU  78           H        LEU  78   3.966 -12.324   0.574
  458    HA   LEU  78           HA       LEU  78   4.295 -12.109  -2.316
  459    HB2  LEU  78           1HB      LEU  78   5.994 -13.487  -0.207
  460    HB3  LEU  78           2HB      LEU  78   6.524 -13.037  -1.824
  461    HG   LEU  78           HG       LEU  78   5.623 -11.008   0.273
  462   HD11  LEU  78          1HD1      LEU  78   7.478 -12.307   1.081
  463   HD12  LEU  78          2HD1      LEU  78   8.374 -12.084  -0.438
  464   HD13  LEU  78          3HD1      LEU  78   8.070 -10.685   0.627
  465   HD21  LEU  78          3HD2      LEU  78   6.840  -9.394  -1.135
  466   HD22  LEU  78          1HD2      LEU  78   7.127 -10.661  -2.349
  467   HD23  LEU  78          2HD2      LEU  78   5.467 -10.117  -1.982
  468    H    ALA  79           H        ALA  79   3.867 -14.797  -0.023
  469    HA   ALA  79           HA       ALA  79   4.276 -16.866  -1.902
  470    HB1  ALA  79           1HB      ALA  79   4.526 -17.117   0.535
  471    HB2  ALA  79           2HB      ALA  79   2.772 -16.906   0.752
  472    HB3  ALA  79           3HB      ALA  79   3.401 -18.326  -0.106
  473    H    GLN  80           H        GLN  80   1.434 -14.918  -1.549
  474    HA   GLN  80           HA       GLN  80  -0.357 -16.940  -2.773
  475    HB2  GLN  80           1HB      GLN  80  -1.117 -15.672  -0.812
  476    HB3  GLN  80           2HB      GLN  80  -0.906 -14.151  -1.686
  477    HG2  GLN  80           1HG      GLN  80  -2.636 -14.785  -3.298
  478    HG3  GLN  80           2HG      GLN  80  -2.770 -16.395  -2.592
  479   HE21  GLN  80          2HE2      GLN  80  -4.397 -13.528  -2.735
  480   HE22  GLN  80          1HE2      GLN  80  -5.224 -13.635  -1.178
  481    H    SER  81           H        SER  81  -1.072 -16.861  -4.867
  482    HA   SER  81           HA       SER  81   0.558 -15.414  -6.711
  483    HB2  SER  81           1HB      SER  81  -1.875 -17.135  -7.278
  484    HB3  SER  81           2HB      SER  81  -0.559 -16.739  -8.395
  485    HG   SER  81           HG       SER  81  -0.293 -18.829  -7.457
  486    H    ARG  82           H        ARG  82  -2.384 -14.345  -5.355
  487    HA   ARG  82           HA       ARG  82  -2.623 -12.114  -7.192
  488    HB2  ARG  82           1HB      ARG  82  -3.764 -13.867  -8.525
  489    HB3  ARG  82           2HB      ARG  82  -4.862 -14.194  -7.177
  490    HG2  ARG  82           1HG      ARG  82  -5.814 -11.945  -7.353
  491    HG3  ARG  82           2HG      ARG  82  -4.600 -11.490  -8.563
  492    HD2  ARG  82           1HD      ARG  82  -5.570 -13.098 -10.149
  493    HD3  ARG  82           2HD      ARG  82  -6.744 -13.625  -8.939
  494    HE   ARG  82           HE       ARG  82  -6.700 -11.061 -10.424
  495   HH11  ARG  82          1HH1      ARG  82  -8.408 -12.891  -7.865
  496   HH12  ARG  82          2HH1      ARG  82  -9.671 -11.663  -7.824
  497   HH21  ARG  82          1HH2      ARG  82  -8.369  -9.559 -10.127
  498   HH22  ARG  82          2HH2      ARG  82  -9.685  -9.994  -9.031
  499    H    HIS  83           H        HIS  83  -3.919 -10.458  -6.412
  500    HA   HIS  83           HA       HIS  83  -5.437 -10.803  -3.886
  501    HB2  HIS  83           1HB      HIS  83  -3.235  -8.768  -4.412
  502    HB3  HIS  83           2HB      HIS  83  -4.374  -8.668  -3.065
  503    HD1  HIS  83           1HD      HIS  83  -4.102 -10.634  -1.155
  504    HD2  HIS  83           2HD      HIS  83  -1.166 -10.407  -4.155
  505    HE1  HIS  83           1HE      HIS  83  -2.106 -12.008  -0.322
  506    H    GLU  84           H        GLU  84  -7.040  -9.091  -3.563
  507    HA   GLU  84           HA       GLU  84  -7.690  -7.338  -5.845
  508    HB2  GLU  84           1HB      GLU  84  -8.559  -9.632  -6.418
  509    HB3  GLU  84           2HB      GLU  84  -9.568  -9.565  -4.968
  510    HG2  GLU  84           1HG      GLU  84 -10.612  -7.438  -5.923
  511    HG3  GLU  84           2HG      GLU  84  -9.700  -7.740  -7.406
  512    H    LEU  85           H        LEU  85  -8.651  -5.548  -5.175
  513    HA   LEU  85           HA       LEU  85 -10.260  -5.386  -2.723
  514    HB2  LEU  85           1HB      LEU  85  -7.972  -5.219  -1.855
  515    HB3  LEU  85           2HB      LEU  85  -7.574  -3.996  -3.067
  516    HG   LEU  85           HG       LEU  85  -9.144  -2.411  -2.002
  517   HD11  LEU  85          1HD1      LEU  85 -10.799  -3.871  -0.971
  518   HD12  LEU  85          2HD1      LEU  85  -9.556  -4.662   0.015
  519   HD13  LEU  85          3HD1      LEU  85  -9.991  -2.970   0.320
  520   HD21  LEU  85          3HD2      LEU  85  -7.790  -2.014   0.015
  521   HD22  LEU  85          1HD2      LEU  85  -7.104  -3.648  -0.107
  522   HD23  LEU  85          2HD2      LEU  85  -6.774  -2.446  -1.373
  523    H    ASP  86           H        ASP  86 -11.804  -3.872  -2.956
  524    HA   ASP  86           HA       ASP  86 -13.259  -2.489  -3.994
  525    HB2  ASP  86           1HB      ASP  86 -10.748  -0.953  -4.746
  526    HB3  ASP  86           2HB      ASP  86 -12.393  -0.337  -4.863
  527    H    SER  87           H        SER  87 -12.743  -4.778  -5.397
  528    HA   SER  87           HA       SER  87 -13.209  -5.837  -7.346
  529    HB2  SER  87           1HB      SER  87 -14.331  -3.174  -8.278
  530    HB3  SER  87           2HB      SER  87 -14.647  -4.766  -8.977
  531    HG   SER  87           HG       SER  87 -16.310  -4.098  -7.515
  532    H    LYS  88           H        LYS  88 -10.556  -4.470  -7.076
  533    HA   LYS  88           HA       LYS  88  -9.687  -4.541  -9.937
  534    HB2  LYS  88           1HB      LYS  88  -9.278  -2.461  -7.781
  535    HB3  LYS  88           2HB      LYS  88  -7.933  -2.786  -8.855
  536    HG2  LYS  88           1HG      LYS  88 -10.677  -2.192 -10.011
  537    HG3  LYS  88           2HG      LYS  88  -9.618  -0.887  -9.455
  538    HD2  LYS  88           1HD      LYS  88  -7.841  -1.557 -10.947
  539    HD3  LYS  88           2HD      LYS  88  -8.737  -2.989 -11.485
  540    HE2  LYS  88           1HE      LYS  88 -10.404  -1.663 -12.596
  541    HE3  LYS  88           2HE      LYS  88  -9.852  -0.180 -11.828
  542    HZ1  LYS  88           3HZ      LYS  88  -8.971  -0.250 -14.057
  543    HZ2  LYS  88           1HZ      LYS  88  -7.691  -0.523 -13.062
  544    HZ3  LYS  88           2HZ      LYS  88  -8.372  -1.759 -13.862
  545    H    THR  89           H        THR  89  -7.961  -5.818 -10.322
  546    HA   THR  89           HA       THR  89  -6.806  -7.548  -8.314
  547    HB   THR  89           HB       THR  89  -5.733  -6.882 -11.090
  548    HG1  THR  89           1HG      THR  89  -7.078  -8.393 -11.845
  549   HG21  THR  89          3HG2      THR  89  -4.852  -9.226 -10.933
  550   HG22  THR  89          1HG2      THR  89  -4.144  -8.156  -9.714
  551   HG23  THR  89          2HG2      THR  89  -5.419  -9.297  -9.245
  552    H    ILE  90           H        ILE  90  -5.292  -6.966  -6.841
  553    HA   ILE  90           HA       ILE  90  -3.649  -4.525  -7.395
  554    HB   ILE  90           HB       ILE  90  -3.335  -4.208  -5.083
  555   HG12  ILE  90          1HG1      ILE  90  -4.939  -6.702  -4.484
  556   HG13  ILE  90          2HG1      ILE  90  -3.182  -6.518  -4.322
  557   HG21  ILE  90          1HG2      ILE  90  -5.476  -3.402  -6.178
  558   HG22  ILE  90          2HG2      ILE  90  -6.300  -4.828  -5.513
  559   HG23  ILE  90          3HG2      ILE  90  -5.624  -3.617  -4.432
  560   HD11  ILE  90          3HD1      ILE  90  -4.053  -6.205  -2.154
  561   HD12  ILE  90          1HD1      ILE  90  -3.610  -4.583  -2.745
  562   HD13  ILE  90          2HD1      ILE  90  -5.315  -5.099  -2.724
  563    H    ASP  91           H        ASP  91  -1.469  -4.486  -6.757
  564    HA   ASP  91           HA       ASP  91  -0.050  -7.109  -7.053
  565    HB2  ASP  91           1HB      ASP  91  -0.289  -5.973  -9.205
  566    HB3  ASP  91           2HB      ASP  91   0.432  -4.512  -8.527
  567    HA   PRO  92           HA       PRO  92   1.875  -4.818  -3.591
  568    HB2  PRO  92           1HB      PRO  92   1.533  -6.684  -1.604
  569    HB3  PRO  92           2HB      PRO  92   0.337  -5.443  -2.052
  570    HG2  PRO  92           1HG      PRO  92   0.222  -8.356  -2.597
  571    HG3  PRO  92           2HG      PRO  92  -1.099  -7.135  -2.543
  572    HD2  PRO  92           1HD      PRO  92   0.243  -8.216  -4.851
  573    HD3  PRO  92           2HD      PRO  92  -1.066  -7.016  -4.766
  574    H    LYS  93           H        LYS  93   3.960  -4.922  -3.009
  575    HA   LYS  93           HA       LYS  93   5.628  -7.330  -3.365
  576    HB2  LYS  93           1HB      LYS  93   6.939  -6.358  -5.179
  577    HB3  LYS  93           2HB      LYS  93   5.243  -6.425  -5.643
  578    HG2  LYS  93           1HG      LYS  93   5.113  -3.953  -4.826
  579    HG3  LYS  93           2HG      LYS  93   6.871  -3.994  -4.777
  580    HD2  LYS  93           1HD      LYS  93   6.180  -2.984  -6.844
  581    HD3  LYS  93           2HD      LYS  93   6.884  -4.569  -7.223
  582    HE2  LYS  93           1HE      LYS  93   4.631  -5.547  -7.431
  583    HE3  LYS  93           2HE      LYS  93   3.885  -4.037  -6.906
  584    HZ1  LYS  93           3HZ      LYS  93   3.876  -4.403  -9.325
  585    HZ2  LYS  93           1HZ      LYS  93   4.589  -2.990  -8.923
  586    HZ3  LYS  93           2HZ      LYS  93   5.509  -4.283  -9.375
  587    H    VAL  94           H        VAL  94   7.965  -6.847  -2.873
  588    HA   VAL  94           HA       VAL  94   8.156  -5.519  -0.342
  589    HB   VAL  94           HB       VAL  94  10.408  -6.428  -2.179
  590   HG11  VAL  94          1HG1      VAL  94  11.305  -4.844  -0.534
  591   HG12  VAL  94          2HG1      VAL  94  10.449  -5.678   0.784
  592   HG13  VAL  94          3HG1      VAL  94  11.778  -6.480  -0.080
  593   HG21  VAL  94          3HG2      VAL  94  10.485  -8.403  -0.645
  594   HG22  VAL  94          1HG2      VAL  94   9.026  -7.803   0.175
  595   HG23  VAL  94          2HG2      VAL  94   8.965  -8.305  -1.531
  596    H    ALA  95           H        ALA  95   8.748  -3.511   0.265
  597    HA   ALA  95           HA       ALA  95   8.743  -1.393  -1.743
  598    HB1  ALA  95           1HB      ALA  95   7.541  -1.167   0.396
  599    HB2  ALA  95           2HB      ALA  95   9.066  -1.350   1.290
  600    HB3  ALA  95           3HB      ALA  95   8.801   0.073   0.262
  601    H    PHE  96           H        PHE  96  10.429  -0.139  -2.450
  602    HA   PHE  96           HA       PHE  96  13.149  -0.846  -2.144
  603    HB2  PHE  96           1HB      PHE  96  12.030   1.911  -2.734
  604    HB3  PHE  96           2HB      PHE  96  13.657   1.353  -3.079
  605    HD1  PHE  96           1HD      PHE  96  12.674  -1.479  -4.231
  606    HD2  PHE  96           2HD      PHE  96  11.641   2.647  -4.989
  607    HE1  PHE  96           1HE      PHE  96  11.977  -2.068  -6.526
  608    HE2  PHE  96           2HE      PHE  96  10.952   2.046  -7.290
  609    HZ   PHE  96           HZ       PHE  96  11.111  -0.314  -8.064
  610    HA   PRO  97           HA       PRO  97  13.540   0.341   2.085
  611    HB2  PRO  97           1HB      PRO  97  16.207  -0.043   2.541
  612    HB3  PRO  97           2HB      PRO  97  15.072  -1.386   2.202
  613    HG2  PRO  97           1HG      PRO  97  16.885   0.054   0.237
  614    HG3  PRO  97           2HG      PRO  97  16.706  -1.715   0.482
  615    HD2  PRO  97           1HD      PRO  97  15.355  -0.407  -1.486
  616    HD3  PRO  97           2HD      PRO  97  14.588  -1.739  -0.568
  617    H    ARG  98           H        ARG  98  13.809   2.095   3.285
  618    HA   ARG  98           HA       ARG  98  15.584   4.335   2.469
  619    HB2  ARG  98           1HB      ARG  98  12.591   4.497   3.044
  620    HB3  ARG  98           2HB      ARG  98  13.643   5.896   2.887
  621    HG2  ARG  98           1HG      ARG  98  13.079   3.896   0.657
  622    HG3  ARG  98           2HG      ARG  98  12.313   5.463   0.854
  623    HD2  ARG  98           1HD      ARG  98  14.495   6.596   0.634
  624    HD3  ARG  98           2HD      ARG  98  15.298   5.049   0.404
  625    HE   ARG  98           HE       ARG  98  13.533   6.475  -1.485
  626   HH11  ARG  98          1HH1      ARG  98  15.319   3.464  -0.912
  627   HH12  ARG  98          2HH1      ARG  98  15.420   3.109  -2.614
  628   HH21  ARG  98          1HH2      ARG  98  13.639   5.906  -3.644
  629   HH22  ARG  98          2HH2      ARG  98  14.418   4.432  -4.126
  630    H    ARG  99           H        ARG  99  15.490   2.276   4.693
  631    HA   ARG  99           HA       ARG  99  14.853   3.603   7.169
  632    HB2  ARG  99           1HB      ARG  99  14.844   1.140   6.831
  633    HB3  ARG  99           2HB      ARG  99  16.585   1.169   6.593
  634    HG2  ARG  99           1HG      ARG  99  16.157   0.363   8.770
  635    HG3  ARG  99           2HG      ARG  99  16.876   1.950   8.969
  636    HD2  ARG  99           1HD      ARG  99  13.861   1.506   9.035
  637    HD3  ARG  99           2HD      ARG  99  14.867   1.235  10.452
  638    HE   ARG  99           HE       ARG  99  15.601   3.589  10.356
  639   HH11  ARG  99          1HH1      ARG  99  12.426   2.811   8.970
  640   HH12  ARG  99          2HH1      ARG  99  11.845   4.429   9.221
  641   HH21  ARG  99          1HH2      ARG  99  14.821   5.612  10.588
  642   HH22  ARG  99          2HH2      ARG  99  13.176   5.998  10.147
  643    H    ALA 100           H        ALA 100  16.034   4.842   8.445
  644    HA   ALA 100           HA       ALA 100  18.979   4.872   8.434
  645    HB1  ALA 100           1HB      ALA 100  18.357   6.628   6.791
  646    HB2  ALA 100           2HB      ALA 100  17.295   7.389   7.997
  647    HB3  ALA 100           3HB      ALA 100  19.053   7.348   8.253
  648    H    GLN 101           H        GLN 101  19.843   6.004  10.362
  649    HA   GLN 101           HA       GLN 101  18.119   6.501  12.638
  650    HB2  GLN 101           1HB      GLN 101  18.887   4.665  13.915
  651    HB3  GLN 101           2HB      GLN 101  18.204   3.994  12.454
  652    HG2  GLN 101           1HG      GLN 101  21.172   4.261  13.150
  653    HG3  GLN 101           2HG      GLN 101  20.218   2.793  13.181
  654   HE21  GLN 101          2HE2      GLN 101  21.985   5.010  11.101
  655   HE22  GLN 101          1HE2      GLN 101  21.862   3.995   9.661
  656    HA   PRO 102           HA       PRO 102  21.841   8.798  13.715
  657    HB2  PRO 102           1HB      PRO 102  21.586   9.120  16.419
  658    HB3  PRO 102           2HB      PRO 102  20.549   9.972  15.234
  659    HG2  PRO 102           1HG      PRO 102  19.921   7.429  16.766
  660    HG3  PRO 102           2HG      PRO 102  18.893   8.882  16.563
  661    HD2  PRO 102           1HD      PRO 102  18.599   6.669  15.002
  662    HD3  PRO 102           2HD      PRO 102  18.364   8.313  14.337
  663    H    LYS 103           H        LYS 103  23.915   8.285  14.199
  664    HA   LYS 103           HA       LYS 103  24.741   6.115  15.958
  665    HB2  LYS 103           1HB      LYS 103  23.945   4.890  13.925
  666    HB3  LYS 103           2HB      LYS 103  25.107   5.801  12.950
  667    HG2  LYS 103           1HG      LYS 103  26.980   4.799  14.227
  668    HG3  LYS 103           2HG      LYS 103  25.831   4.006  15.313
  669    HD2  LYS 103           1HD      LYS 103  26.680   2.391  13.736
  670    HD3  LYS 103           2HD      LYS 103  24.961   2.661  13.414
  671    HE2  LYS 103           1HE      LYS 103  25.543   4.171  11.533
  672    HE3  LYS 103           2HE      LYS 103  27.263   3.970  11.891
  673    HZ1  LYS 103           3HZ      LYS 103  26.553   2.500  10.093
  674    HZ2  LYS 103           1HZ      LYS 103  27.030   1.602  11.367
  675    HZ3  LYS 103           2HZ      LYS 103  25.438   1.782  11.043
  676    H5'    G 104           H5'        G 104  -3.945  -0.731 -11.888
  677   H5''    G 104          H5"         G 104  -5.412   0.031 -11.248
  678    H4'    G 104           H4'        G 104  -4.125   0.622 -13.958
  679    H3'    G 104           H3'        G 104  -3.189   1.553 -11.550
  680    H2'    G 104           H2'        G 104  -5.156   2.427 -10.690
  681   HO2'    G 104          HO2         G 104  -3.799   4.369 -12.157
  682    H1'    G 104           H1'        G 104  -6.006   3.563 -13.363
  683    H8     G 104           8H         G 104  -7.145   2.703  -9.934
  684    H1     G 104           1H         G 104 -11.984   3.212 -14.154
  685    H21    G 104           1H2        G 104 -11.123   3.210 -16.242
  686    H22    G 104           2H2        G 104  -9.389   3.061 -16.461
  687   HO5'    G 104          H5T         G 104  -5.163  -1.695 -13.524
  688    H5'    U 105           H5'        U 105  -1.625   2.996 -10.709
  689   H5''    U 105          H5"         U 105  -0.449   3.970 -11.595
  690    H4'    U 105           H4'        U 105   0.402   3.255  -9.411
  691    H3'    U 105           H3'        U 105   1.846   3.211 -11.739
  692    H2'    U 105           H2'        U 105   1.463   0.940 -12.222
  693   HO2'    U 105          HO2         U 105   3.935   1.400 -11.302
  694    H1'    U 105           H1'        U 105   1.938   0.232  -9.329
  695    H3     U 105           3H         U 105   1.606  -4.125 -10.616
  696    H5     U 105           5H         U 105  -1.704  -2.349 -12.463
  697    H6     U 105           6H         U 105  -0.980  -0.187 -11.595
  698    H5'    A 106           H5'        A 106   3.629   4.395  -7.423
  699   H5''    A 106          H5"         A 106   3.888   5.772  -8.487
  700    H4'    A 106           H4'        A 106   4.954   6.253  -6.437
  701    H3'    A 106           H3'        A 106   6.350   6.428  -8.795
  702    H2'    A 106           H2'        A 106   7.359   4.304  -8.684
  703   HO2'    A 106          HO2         A 106   9.045   6.238  -7.554
  704    H1'    A 106           H1'        A 106   7.955   4.634  -5.744
  705    H8     A 106           8H         A 106   6.801   2.114  -8.490
  706    H61    A 106           1H6        A 106   8.943  -2.053  -4.295
  707    H62    A 106           2H6        A 106   8.329  -1.924  -5.943
  708    H2     A 106           2H         A 106   9.238   1.856  -2.534
  709    H5'    G 107           H5'        G 107   7.833   8.472  -4.377
  710   H5''    G 107          H5"         G 107   7.117   6.872  -4.164
  711    H4'    G 107           H4'        G 107   5.637   9.128  -2.873
  712    H3'    G 107           H3'        G 107   8.414   8.282  -1.995
  713    H2'    G 107           H2'        G 107   7.652   8.695   0.236
  714   HO2'    G 107          HO2         G 107   6.505  10.744  -0.548
  715    H1'    G 107           H1'        G 107   4.998   7.849  -0.234
  716    H8     G 107           8H         G 107   5.062   6.421   1.835
  717    H1     G 107           1H         G 107  10.512   3.437   0.119
  718    H21    G 107           1H2        G 107  11.252   4.326  -1.814
  719    H22    G 107           2H2        G 107  10.344   5.619  -2.580
  720    H5'    U 108           H5'        U 108  10.511  11.987   0.692
  721   H5''    U 108          H5"         U 108  11.594  11.012  -0.300
  722    H4'    U 108           H4'        U 108  12.076  10.577   1.992
  723    H3'    U 108           H3'        U 108  11.454   8.473   0.231
  724   HO3'    U 108          H3T         U 108  13.332   8.649   1.612
  725    H2'    U 108           H2'        U 108   9.322   8.067   1.154
  726   HO2'    U 108          HO2         U 108  11.247   6.606   2.597
  727    H1'    U 108           H1'        U 108  10.482   8.655   3.893
  728    H3     U 108           3H         U 108   6.521   7.555   5.853
  729    H5     U 108           5H         U 108   5.372  10.088   2.724
  730    H6     U 108           6H         U 108   7.692  10.152   1.969
  Start of MODEL   11
    1    H    CYS  20           1H       CYS  20  10.491  -4.586   6.775
    2    HA   CYS  20           HA       CYS  20   8.985  -6.442   6.472
    3    HB2  CYS  20           1HB      CYS  20   7.703  -5.475   9.077
    4    HB3  CYS  20           2HB      CYS  20   7.132  -6.786   8.065
    5    HG   CYS  20           HG       CYS  20   9.322  -8.260   8.255
    6    H    LYS  21           H        LYS  21   8.809  -4.812   4.655
    7    HA   LYS  21           HA       LYS  21   6.304  -3.240   4.841
    8    HB2  LYS  21           1HB      LYS  21   8.149  -1.792   5.684
    9    HB3  LYS  21           2HB      LYS  21   8.994  -1.981   4.147
   10    HG2  LYS  21           1HG      LYS  21   7.174  -0.823   2.962
   11    HG3  LYS  21           2HG      LYS  21   6.189  -0.797   4.426
   12    HD2  LYS  21           1HD      LYS  21   7.817   0.660   5.537
   13    HD3  LYS  21           2HD      LYS  21   8.877   0.630   4.122
   14    HE2  LYS  21           1HE      LYS  21   5.961   1.457   3.849
   15    HE3  LYS  21           2HE      LYS  21   7.116   2.600   4.503
   16    HZ1  LYS  21           3HZ      LYS  21   6.922   2.871   2.120
   17    HZ2  LYS  21           1HZ      LYS  21   8.442   2.437   2.497
   18    HZ3  LYS  21           2HZ      LYS  21   7.428   1.328   1.856
   19    H    MET  22           H        MET  22   5.317  -2.707   2.972
   20    HA   MET  22           HA       MET  22   6.363  -3.824   0.418
   21    HB2  MET  22           1HB      MET  22   3.599  -4.320   1.603
   22    HB3  MET  22           2HB      MET  22   4.158  -4.831   0.004
   23    HG2  MET  22           1HG      MET  22   6.022  -6.119   1.184
   24    HG3  MET  22           2HG      MET  22   5.228  -5.727   2.702
   25    HE1  MET  22           3HE      MET  22   4.028  -8.777  -0.469
   26    HE2  MET  22           1HE      MET  22   3.952  -7.057  -0.913
   27    HE3  MET  22           2HE      MET  22   5.486  -7.778  -0.366
   28    H    PHE  23           H        PHE  23   5.888  -2.794  -1.335
   29    HA   PHE  23           HA       PHE  23   4.406  -0.213  -1.355
   30    HB2  PHE  23           1HB      PHE  23   6.486  -0.079  -2.507
   31    HB3  PHE  23           2HB      PHE  23   6.303  -1.673  -3.222
   32    HD1  PHE  23           2HD      PHE  23   4.749   1.768  -3.288
   33    HD2  PHE  23           1HD      PHE  23   5.455  -1.922  -5.390
   34    HE1  PHE  23           2HE      PHE  23   3.782   2.731  -5.360
   35    HE2  PHE  23           1HE      PHE  23   4.465  -0.948  -7.448
   36    HZ   PHE  23           HZ       PHE  23   3.622   1.393  -7.425
   37    H    ILE  24           H        ILE  24   2.397  -0.104  -2.236
   38    HA   ILE  24           HA       ILE  24   1.153  -2.687  -3.143
   39    HB   ILE  24           HB       ILE  24  -0.301  -0.394  -1.809
   40   HG12  ILE  24          1HG1      ILE  24   1.256  -1.030  -0.113
   41   HG13  ILE  24          2HG1      ILE  24  -0.350  -1.602   0.281
   42   HG21  ILE  24          1HG2      ILE  24  -1.595  -2.025  -3.161
   43   HG22  ILE  24          2HG2      ILE  24  -0.995  -3.343  -2.149
   44   HG23  ILE  24          3HG2      ILE  24  -2.015  -2.077  -1.442
   45   HD11  ILE  24          3HD1      ILE  24   1.431  -3.214   0.882
   46   HD12  ILE  24          1HD1      ILE  24   0.278  -3.905  -0.260
   47   HD13  ILE  24          2HD1      ILE  24   1.879  -3.375  -0.820
   48    H    GLY  25           H        GLY  25   1.429  -2.449  -5.345
   49    HA2  GLY  25           1HA      GLY  25   0.540   0.038  -6.706
   50    HA3  GLY  25           2HA      GLY  25   1.362  -1.357  -7.431
   51    H    GLY  26           H        GLY  26  -0.820  -0.111  -8.615
   52    HA2  GLY  26           1HA      GLY  26  -2.515  -0.898  -9.965
   53    HA3  GLY  26           2HA      GLY  26  -2.389  -2.490  -9.188
   54    H    LEU  27           H        LEU  27  -2.993   0.278  -7.149
   55    HA   LEU  27           HA       LEU  27  -5.459  -0.849  -6.124
   56    HB2  LEU  27           1HB      LEU  27  -4.212   1.905  -5.726
   57    HB3  LEU  27           2HB      LEU  27  -5.550   1.261  -4.805
   58    HG   LEU  27           HG       LEU  27  -2.703   0.183  -4.766
   59   HD11  LEU  27          1HD1      LEU  27  -3.140   2.365  -3.604
   60   HD12  LEU  27          2HD1      LEU  27  -4.391   1.580  -2.640
   61   HD13  LEU  27          3HD1      LEU  27  -2.694   1.062  -2.485
   62   HD21  LEU  27          3HD2      LEU  27  -3.732  -1.148  -2.768
   63   HD22  LEU  27          1HD2      LEU  27  -5.269  -0.913  -3.614
   64   HD23  LEU  27          2HD2      LEU  27  -3.913  -1.735  -4.421
   65    H    SER  28           H        SER  28  -7.452   0.469  -5.863
   66    HA   SER  28           HA       SER  28  -8.444   1.530  -8.456
   67    HB2  SER  28           1HB      SER  28  -9.875   0.024  -7.087
   68    HB3  SER  28           2HB      SER  28  -9.777   1.165  -5.744
   69    HG   SER  28           HG       SER  28 -11.679   1.398  -6.938
   70    H    TRP  29           H        TRP  29  -9.115   3.732  -8.692
   71    HA   TRP  29           HA       TRP  29  -7.860   5.789  -7.160
   72    HB2  TRP  29           1HB      TRP  29 -10.304   5.808  -8.940
   73    HB3  TRP  29           2HB      TRP  29  -9.570   7.252  -8.257
   74    HD1  TRP  29           HD       TRP  29  -6.529   5.775  -8.985
   75    HE1  TRP  29           1HE      TRP  29  -5.666   6.136 -11.340
   76    HE3  TRP  29           3HE      TRP  29 -10.933   7.100 -11.241
   77    HZ2  TRP  29           2HZ      TRP  29  -6.715   7.054 -13.891
   78    HZ3  TRP  29           3HZ      TRP  29 -10.978   7.654 -13.658
   79    HH2  TRP  29           HH       TRP  29  -8.875   7.656 -14.989
   80    H    GLN  30           H        GLN  30 -10.601   3.864  -6.383
   81    HA   GLN  30           HA       GLN  30 -11.625   5.739  -4.321
   82    HB2  GLN  30           1HB      GLN  30 -13.156   4.650  -5.891
   83    HB3  GLN  30           2HB      GLN  30 -12.594   3.062  -5.380
   84    HG2  GLN  30           1HG      GLN  30 -13.612   3.316  -3.197
   85    HG3  GLN  30           2HG      GLN  30 -13.968   5.024  -3.509
   86   HE21  GLN  30          2HE2      GLN  30 -14.822   1.650  -4.497
   87   HE22  GLN  30          1HE2      GLN  30 -16.399   2.116  -5.133
   88    H    THR  31           H        THR  31  -9.185   3.316  -4.418
   89    HA   THR  31           HA       THR  31  -9.656   2.077  -1.854
   90    HB   THR  31           HB       THR  31  -7.035   2.429  -3.371
   91    HG1  THR  31           1HG      THR  31  -8.918   0.293  -3.352
   92   HG21  THR  31          3HG2      THR  31  -6.471   0.279  -2.144
   93   HG22  THR  31          1HG2      THR  31  -6.560   1.703  -1.108
   94   HG23  THR  31          2HG2      THR  31  -7.903   0.536  -1.134
   95    H    THR  32           H        THR  32  -8.981   2.603   0.152
   96    HA   THR  32           HA       THR  32  -7.434   5.116   0.622
   97    HB   THR  32           HB       THR  32  -8.709   5.459   2.668
   98    HG1  THR  32           1HG      THR  32 -10.582   4.085   2.979
   99   HG21  THR  32          3HG2      THR  32 -10.854   6.112   1.774
  100   HG22  THR  32          1HG2      THR  32  -9.623   6.423   0.537
  101   HG23  THR  32          2HG2      THR  32 -10.690   5.007   0.394
  102    H    GLN  33           H        GLN  33  -6.249   5.093   2.695
  103    HA   GLN  33           HA       GLN  33  -4.749   2.650   3.028
  104    HB2  GLN  33           1HB      GLN  33  -3.575   3.899   4.827
  105    HB3  GLN  33           2HB      GLN  33  -3.604   4.639   3.238
  106    HG2  GLN  33           1HG      GLN  33  -5.488   6.146   4.045
  107    HG3  GLN  33           2HG      GLN  33  -5.173   5.524   5.671
  108   HE21  GLN  33          2HE2      GLN  33  -3.827   6.989   6.810
  109   HE22  GLN  33          1HE2      GLN  33  -2.583   7.957   6.038
  110    H    GLU  34           H        GLU  34  -7.574   3.859   4.698
  111    HA   GLU  34           HA       GLU  34  -7.447   1.906   6.866
  112    HB2  GLU  34           1HB      GLU  34  -9.793   3.425   5.647
  113    HB3  GLU  34           2HB      GLU  34  -9.887   2.383   7.075
  114    HG2  GLU  34           1HG      GLU  34  -8.212   3.819   8.232
  115    HG3  GLU  34           2HG      GLU  34  -8.174   4.896   6.833
  116    H    GLY  35           H        GLY  35  -8.776   1.964   3.535
  117    HA2  GLY  35           1HA      GLY  35  -9.932  -0.679   3.565
  118    HA3  GLY  35           2HA      GLY  35  -9.474   0.279   2.137
  119    H    LEU  36           H        LEU  36  -6.641   0.546   2.762
  120    HA   LEU  36           HA       LEU  36  -5.581  -2.009   2.026
  121    HB2  LEU  36           1HB      LEU  36  -4.068   0.248   3.443
  122    HB3  LEU  36           2HB      LEU  36  -3.367  -1.129   2.631
  123    HG   LEU  36           HG       LEU  36  -4.764   1.224   1.340
  124   HD11  LEU  36          1HD1      LEU  36  -2.384   1.484   1.991
  125   HD12  LEU  36          2HD1      LEU  36  -1.973   0.051   1.026
  126   HD13  LEU  36          3HD1      LEU  36  -2.594   1.504   0.230
  127   HD21  LEU  36          3HD2      LEU  36  -4.322   0.108  -0.831
  128   HD22  LEU  36          1HD2      LEU  36  -3.924  -1.389   0.038
  129   HD23  LEU  36          2HD2      LEU  36  -5.562  -0.692   0.132
  130    H    ARG  37           H        ARG  37  -5.567  -0.454   5.310
  131    HA   ARG  37           HA       ARG  37  -4.538  -2.717   6.658
  132    HB2  ARG  37           1HB      ARG  37  -4.760  -0.567   7.749
  133    HB3  ARG  37           2HB      ARG  37  -6.510  -0.552   7.510
  134    HG2  ARG  37           1HG      ARG  37  -6.765  -2.478   9.054
  135    HG3  ARG  37           2HG      ARG  37  -5.006  -2.519   9.286
  136    HD2  ARG  37           1HD      ARG  37  -5.116  -0.215  10.204
  137    HD3  ARG  37           2HD      ARG  37  -6.843  -0.177   9.888
  138    HE   ARG  37           HE       ARG  37  -7.288  -1.557  11.711
  139   HH11  ARG  37          1HH1      ARG  37  -3.785  -1.345  11.374
  140   HH12  ARG  37          2HH1      ARG  37  -3.547  -2.752  12.384
  141   HH21  ARG  37          1HH2      ARG  37  -6.815  -3.159  13.288
  142   HH22  ARG  37          2HH2      ARG  37  -5.141  -3.584  13.583
  143    H    GLU  38           H        GLU  38  -7.924  -2.029   5.773
  144    HA   GLU  38           HA       GLU  38  -9.138  -4.199   7.041
  145    HB2  GLU  38           1HB      GLU  38 -10.054  -2.135   5.539
  146    HB3  GLU  38           2HB      GLU  38 -10.171  -3.411   4.324
  147    HG2  GLU  38           1HG      GLU  38 -11.455  -4.776   6.004
  148    HG3  GLU  38           2HG      GLU  38 -11.329  -3.415   7.129
  149    H    TYR  39           H        TYR  39  -7.459  -4.173   3.901
  150    HA   TYR  39           HA       TYR  39  -8.111  -6.985   3.334
  151    HB2  TYR  39           1HB      TYR  39  -8.032  -5.231   1.592
  152    HB3  TYR  39           2HB      TYR  39  -6.313  -5.001   1.893
  153    HD1  TYR  39           1HD      TYR  39  -8.840  -7.637   1.017
  154    HD2  TYR  39           2HD      TYR  39  -4.740  -6.339   0.698
  155    HE1  TYR  39           1HE      TYR  39  -8.346  -9.579  -0.445
  156    HE2  TYR  39           2HE      TYR  39  -4.240  -8.268  -0.778
  157    HH   TYR  39           HH       TYR  39  -6.751 -10.732  -1.583
  158    H    PHE  40           H        PHE  40  -5.221  -5.092   4.250
  159    HA   PHE  40           HA       PHE  40  -3.478  -7.389   4.066
  160    HB2  PHE  40           1HB      PHE  40  -3.111  -4.474   4.732
  161    HB3  PHE  40           2HB      PHE  40  -1.808  -5.592   4.977
  162    HD1  PHE  40           2HD      PHE  40  -1.475  -7.345   2.869
  163    HD2  PHE  40           1HD      PHE  40  -3.271  -3.440   2.589
  164    HE1  PHE  40           2HE      PHE  40  -1.104  -7.342   0.420
  165    HE2  PHE  40           1HE      PHE  40  -2.914  -3.451   0.146
  166    HZ   PHE  40           HZ       PHE  40  -1.823  -5.389  -0.948
  167    H    GLY  41           H        GLY  41  -5.192  -5.909   6.745
  168    HA2  GLY  41           1HA      GLY  41  -3.759  -7.104   8.907
  169    HA3  GLY  41           2HA      GLY  41  -5.456  -6.587   8.918
  170    H    GLN  42           H        GLN  42  -5.674  -8.635   6.491
  171    HA   GLN  42           HA       GLN  42  -6.531 -10.939   8.065
  172    HB2  GLN  42           1HB      GLN  42  -6.272 -10.722   5.045
  173    HB3  GLN  42           2HB      GLN  42  -7.304 -11.813   5.962
  174    HG2  GLN  42           1HG      GLN  42  -7.622  -8.796   5.670
  175    HG3  GLN  42           2HG      GLN  42  -8.617 -10.026   4.926
  176   HE21  GLN  42          2HE2      GLN  42  -9.424  -7.781   6.666
  177   HE22  GLN  42          1HE2      GLN  42 -10.226  -8.532   8.050
  178    H    PHE  43           H        PHE  43  -3.566 -10.033   6.455
  179    HA   PHE  43           HA       PHE  43  -2.534 -12.823   6.401
  180    HB2  PHE  43           1HB      PHE  43  -1.304 -10.223   5.401
  181    HB3  PHE  43           2HB      PHE  43  -0.671 -11.833   5.146
  182    HD1  PHE  43           1HD      PHE  43  -3.297  -9.435   4.180
  183    HD2  PHE  43           2HD      PHE  43  -1.701 -13.354   3.481
  184    HE1  PHE  43           1HE      PHE  43  -4.592  -9.576   2.068
  185    HE2  PHE  43           2HE      PHE  43  -2.992 -13.515   1.378
  186    HZ   PHE  43           HZ       PHE  43  -4.444 -11.625   0.664
  187    H    GLY  44           H        GLY  44  -2.027  -9.713   7.989
  188    HA2  GLY  44           1HA      GLY  44  -1.031 -10.727  10.438
  189    HA3  GLY  44           2HA      GLY  44   0.344 -10.188   9.481
  190    H    GLU  45           H        GLU  45  -0.566  -8.925  11.954
  191    HA   GLU  45           HA       GLU  45  -2.246  -6.683  11.407
  192    HB2  GLU  45           1HB      GLU  45  -1.959  -7.576  13.656
  193    HB3  GLU  45           2HB      GLU  45  -0.249  -7.148  13.647
  194    HG2  GLU  45           1HG      GLU  45  -1.562  -5.591  14.988
  195    HG3  GLU  45           2HG      GLU  45  -0.789  -4.772  13.636
  196    H    VAL  46           H        VAL  46  -1.809  -4.537  10.992
  197    HA   VAL  46           HA       VAL  46   0.739  -4.081   9.564
  198    HB   VAL  46           HB       VAL  46  -0.210  -2.448   8.293
  199   HG11  VAL  46          1HG1      VAL  46  -0.917  -4.764   7.660
  200   HG12  VAL  46          2HG1      VAL  46  -2.450  -4.492   8.532
  201   HG13  VAL  46          3HG1      VAL  46  -2.054  -3.509   7.122
  202   HG21  VAL  46          3HG2      VAL  46  -2.473  -1.549   8.419
  203   HG22  VAL  46          1HG2      VAL  46  -2.729  -2.435   9.936
  204   HG23  VAL  46          2HG2      VAL  46  -1.526  -1.116   9.842
  205    H    LYS  47           H        LYS  47   2.191  -2.714  10.207
  206    HA   LYS  47           HA       LYS  47   2.025  -1.273  12.781
  207    HB2  LYS  47           1HB      LYS  47   3.986  -2.659  12.058
  208    HB3  LYS  47           2HB      LYS  47   4.250  -1.565  10.704
  209    HG2  LYS  47           1HG      LYS  47   4.761   0.278  12.232
  210    HG3  LYS  47           2HG      LYS  47   4.312  -0.720  13.631
  211    HD2  LYS  47           1HD      LYS  47   6.170  -2.284  13.108
  212    HD3  LYS  47           2HD      LYS  47   6.615  -1.284  11.707
  213    HE2  LYS  47           1HE      LYS  47   7.015   0.652  13.215
  214    HE3  LYS  47           2HE      LYS  47   6.551  -0.330  14.610
  215    HZ1  LYS  47           3HZ      LYS  47   8.956  -0.243  14.353
  216    HZ2  LYS  47           1HZ      LYS  47   8.449  -1.779  14.140
  217    HZ3  LYS  47           2HZ      LYS  47   8.881  -0.870  12.847
  218    H    GLU  48           H        GLU  48   1.793  -0.603   9.350
  219    HA   GLU  48           HA       GLU  48   1.003   2.179   9.759
  220    HB2  GLU  48           1HB      GLU  48   3.607   2.126   9.705
  221    HB3  GLU  48           2HB      GLU  48   3.436   1.610   8.027
  222    HG2  GLU  48           1HG      GLU  48   2.077   3.746   7.637
  223    HG3  GLU  48           2HG      GLU  48   2.583   4.252   9.252
  224    H    CYS  49           H        CYS  49  -0.170   2.929   7.938
  225    HA   CYS  49           HA       CYS  49   0.029   1.496   5.391
  226    HB2  CYS  49           1HB      CYS  49  -2.428   1.293   5.147
  227    HB3  CYS  49           2HB      CYS  49  -1.785   0.278   6.444
  228    HG   CYS  49           HG       CYS  49  -4.243   1.612   6.775
  229    H    LEU  50           H        LEU  50  -0.343   2.779   3.626
  230    HA   LEU  50           HA       LEU  50  -1.076   5.642   3.995
  231    HB2  LEU  50           1HB      LEU  50   1.520   4.536   2.877
  232    HB3  LEU  50           2HB      LEU  50   0.963   6.162   2.542
  233    HG   LEU  50           HG       LEU  50   1.668   5.118   5.311
  234   HD11  LEU  50          1HD1      LEU  50   3.613   5.320   3.792
  235   HD12  LEU  50          2HD1      LEU  50   3.141   6.985   3.387
  236   HD13  LEU  50          3HD1      LEU  50   3.656   6.581   5.037
  237   HD21  LEU  50          3HD2      LEU  50   1.578   7.529   5.949
  238   HD22  LEU  50          1HD2      LEU  50   0.964   7.932   4.332
  239   HD23  LEU  50          2HD2      LEU  50  -0.009   6.941   5.443
  240    H    VAL  51           H        VAL  51  -2.016   6.554   2.257
  241    HA   VAL  51           HA       VAL  51  -1.685   5.330  -0.450
  242    HB   VAL  51           HB       VAL  51  -4.339   6.198   0.769
  243   HG11  VAL  51          1HG1      VAL  51  -4.231   7.205  -1.468
  244   HG12  VAL  51          2HG1      VAL  51  -3.671   5.665  -2.162
  245   HG13  VAL  51          3HG1      VAL  51  -5.314   5.818  -1.502
  246   HG21  VAL  51          3HG2      VAL  51  -5.075   3.958  -0.029
  247   HG22  VAL  51          1HG2      VAL  51  -3.428   3.622  -0.595
  248   HG23  VAL  51          2HG2      VAL  51  -3.757   3.833   1.139
  249    H    MET  52           H        MET  52  -1.110   6.744  -1.915
  250    HA   MET  52           HA       MET  52  -0.417   9.456  -0.982
  251    HB2  MET  52           1HB      MET  52   0.450   7.746  -3.340
  252    HB3  MET  52           2HB      MET  52   1.087   9.364  -2.993
  253    HG2  MET  52           1HG      MET  52   1.241   7.117  -0.955
  254    HG3  MET  52           2HG      MET  52   2.469   7.404  -2.156
  255    HE1  MET  52           3HE      MET  52   2.132   9.341   1.829
  256    HE2  MET  52           1HE      MET  52   0.690   8.709   0.996
  257    HE3  MET  52           2HE      MET  52   2.096   7.648   1.285
  258    H    ARG  53           H        ARG  53  -3.120   9.345  -1.401
  259    HA   ARG  53           HA       ARG  53  -3.943   9.893  -4.044
  260    HB2  ARG  53           1HB      ARG  53  -6.112  10.436  -3.148
  261    HB3  ARG  53           2HB      ARG  53  -5.457   9.036  -2.307
  262    HG2  ARG  53           1HG      ARG  53  -4.829  10.509  -0.382
  263    HG3  ARG  53           2HG      ARG  53  -5.578  11.880  -1.232
  264    HD2  ARG  53           1HD      ARG  53  -7.735  10.640  -1.296
  265    HD3  ARG  53           2HD      ARG  53  -6.985   9.315  -0.383
  266    HE   ARG  53           HE       ARG  53  -6.540  11.667   1.092
  267   HH11  ARG  53          1HH1      ARG  53  -9.372   9.770   0.132
  268   HH12  ARG  53          2HH1      ARG  53 -10.289  10.273   1.520
  269   HH21  ARG  53          1HH2      ARG  53  -7.782  12.273   2.857
  270   HH22  ARG  53          2HH2      ARG  53  -9.400  11.667   3.039
  271    H    ASP  54           H        ASP  54  -4.617  11.698  -5.137
  272    HA   ASP  54           HA       ASP  54  -3.267  14.240  -4.508
  273    HB2  ASP  54           1HB      ASP  54  -5.047  13.316  -6.788
  274    HB3  ASP  54           2HB      ASP  54  -4.485  14.978  -6.627
  275    HA   PRO  55           HA       PRO  55  -6.975  15.622  -2.355
  276    HB2  PRO  55           1HB      PRO  55  -6.245  18.159  -1.653
  277    HB3  PRO  55           2HB      PRO  55  -5.550  16.694  -0.898
  278    HG2  PRO  55           1HG      PRO  55  -4.381  18.364  -3.142
  279    HG3  PRO  55           2HG      PRO  55  -3.566  17.775  -1.661
  280    HD2  PRO  55           1HD      PRO  55  -3.373  16.478  -4.066
  281    HD3  PRO  55           2HD      PRO  55  -3.393  15.591  -2.512
  282    H    LEU  56           H        LEU  56  -5.822  17.030  -5.334
  283    HA   LEU  56           HA       LEU  56  -8.005  18.922  -5.692
  284    HB2  LEU  56           1HB      LEU  56  -5.810  17.768  -7.462
  285    HB3  LEU  56           2HB      LEU  56  -7.081  18.750  -8.140
  286    HG   LEU  56           HG       LEU  56  -5.068  20.033  -7.783
  287   HD11  LEU  56          1HD1      LEU  56  -7.278  21.160  -7.690
  288   HD12  LEU  56          2HD1      LEU  56  -7.273  21.006  -5.918
  289   HD13  LEU  56          3HD1      LEU  56  -6.042  21.989  -6.730
  290   HD21  LEU  56          3HD2      LEU  56  -4.184  20.637  -5.626
  291   HD22  LEU  56          1HD2      LEU  56  -5.440  19.715  -4.783
  292   HD23  LEU  56          2HD2      LEU  56  -4.203  18.869  -5.749
  293    H    THR  57           H        THR  57  -7.592  15.527  -6.414
  294    HA   THR  57           HA       THR  57 -10.221  15.422  -7.860
  295    HB   THR  57           HB       THR  57  -9.208  13.764  -9.359
  296    HG1  THR  57           1HG      THR  57  -6.810  13.696  -9.207
  297   HG21  THR  57          3HG2      THR  57  -7.813  15.210 -10.698
  298   HG22  THR  57          1HG2      THR  57  -9.101  16.196  -9.987
  299   HG23  THR  57          2HG2      THR  57  -7.456  16.260  -9.316
  300    H    LYS  58           H        LYS  58  -8.403  14.175  -5.296
  301    HA   LYS  58           HA       LYS  58  -8.588  12.532  -3.817
  302    HB2  LYS  58           1HB      LYS  58 -11.450  12.480  -4.826
  303    HB3  LYS  58           2HB      LYS  58 -10.878  11.382  -3.587
  304    HG2  LYS  58           1HG      LYS  58 -11.942  13.257  -2.558
  305    HG3  LYS  58           2HG      LYS  58 -10.235  13.219  -2.122
  306    HD2  LYS  58           1HD      LYS  58  -9.762  15.091  -3.620
  307    HD3  LYS  58           2HD      LYS  58 -11.423  15.045  -4.260
  308    HE2  LYS  58           1HE      LYS  58 -12.288  15.597  -1.996
  309    HE3  LYS  58           2HE      LYS  58 -10.636  15.601  -1.360
  310    HZ1  LYS  58           3HZ      LYS  58 -11.365  17.846  -1.865
  311    HZ2  LYS  58           1HZ      LYS  58 -10.134  17.450  -2.868
  312    HZ3  LYS  58           2HZ      LYS  58 -11.675  17.465  -3.423
  313    H    ARG  59           H        ARG  59  -8.154  11.863  -6.938
  314    HA   ARG  59           HA       ARG  59  -8.313   8.983  -7.072
  315    HB2  ARG  59           1HB      ARG  59  -6.487  10.988  -8.465
  316    HB3  ARG  59           2HB      ARG  59  -6.468   9.248  -8.771
  317    HG2  ARG  59           1HG      ARG  59  -8.893   9.351  -9.398
  318    HG3  ARG  59           2HG      ARG  59  -8.823  11.118  -9.259
  319    HD2  ARG  59           1HD      ARG  59  -7.086  11.208 -11.013
  320    HD3  ARG  59           2HD      ARG  59  -7.012   9.449 -11.061
  321    HE   ARG  59           HE       ARG  59  -9.008   9.316 -12.225
  322   HH11  ARG  59          1HH1      ARG  59  -8.404  12.720 -11.483
  323   HH12  ARG  59          2HH1      ARG  59  -9.633  13.270 -12.585
  324   HH21  ARG  59          1HH2      ARG  59 -10.558  10.086 -13.622
  325   HH22  ARG  59          2HH2      ARG  59 -10.835  11.794 -13.779
  326    H    SER  60           H        SER  60  -7.148   7.477  -6.144
  327    HA   SER  60           HA       SER  60  -5.162   7.883  -4.129
  328    HB2  SER  60           1HB      SER  60  -5.083   5.464  -4.102
  329    HB3  SER  60           2HB      SER  60  -6.767   5.962  -4.379
  330    HG   SER  60           HG       SER  60  -6.369   4.432  -5.896
  331    H    ARG  61           H        ARG  61  -4.736   8.064  -7.476
  332    HA   ARG  61           HA       ARG  61  -3.027   8.005  -8.943
  333    HB2  ARG  61           1HB      ARG  61  -1.090   7.742  -6.602
  334    HB3  ARG  61           2HB      ARG  61  -0.686   8.097  -8.274
  335    HG2  ARG  61           1HG      ARG  61  -1.975  10.209  -8.173
  336    HG3  ARG  61           2HG      ARG  61  -2.394   9.875  -6.484
  337    HD2  ARG  61           1HD      ARG  61  -0.553  11.402  -6.465
  338    HD3  ARG  61           2HD      ARG  61   0.036   9.824  -5.916
  339    HE   ARG  61           HE       ARG  61   0.381  10.261  -8.778
  340   HH11  ARG  61          1HH1      ARG  61   1.891  10.946  -5.659
  341   HH12  ARG  61          2HH1      ARG  61   3.483  11.073  -6.349
  342   HH21  ARG  61          1HH2      ARG  61   2.462  10.425  -9.608
  343   HH22  ARG  61          2HH2      ARG  61   3.795  10.789  -8.558
  344    H    GLY  62           H        GLY  62  -4.151   5.456  -7.351
  345    HA2  GLY  62           1HA      GLY  62  -4.212   3.230  -7.914
  346    HA3  GLY  62           2HA      GLY  62  -2.962   3.505  -9.149
  347    H    PHE  63           H        PHE  63  -2.098   4.559  -5.909
  348    HA   PHE  63           HA       PHE  63  -0.986   1.983  -5.199
  349    HB2  PHE  63           1HB      PHE  63   1.268   2.340  -5.477
  350    HB3  PHE  63           2HB      PHE  63   0.613   3.008  -6.945
  351    HD1  PHE  63           1HD      PHE  63   0.558   5.550  -7.242
  352    HD2  PHE  63           2HD      PHE  63   2.362   3.675  -3.802
  353    HE1  PHE  63           1HE      PHE  63   1.698   7.685  -6.662
  354    HE2  PHE  63           2HE      PHE  63   3.519   5.781  -3.258
  355    HZ   PHE  63           HZ       PHE  63   3.174   7.794  -4.638
  356    H    GLY  64           H        GLY  64   0.213   1.877  -3.280
  357    HA2  GLY  64           1HA      GLY  64   0.502   4.170  -1.492
  358    HA3  GLY  64           2HA      GLY  64  -0.692   3.012  -0.946
  359    H    PHE  65           H        PHE  65   0.634   2.662   0.885
  360    HA   PHE  65           HA       PHE  65   2.771   0.629   0.523
  361    HB2  PHE  65           1HB      PHE  65   3.098   3.240   2.060
  362    HB3  PHE  65           2HB      PHE  65   4.121   1.853   2.283
  363    HD1  PHE  65           1HD      PHE  65   5.640   1.060   0.562
  364    HD2  PHE  65           2HD      PHE  65   3.395   4.715   0.042
  365    HE1  PHE  65           1HE      PHE  65   7.238   1.810  -1.182
  366    HE2  PHE  65           2HE      PHE  65   5.013   5.459  -1.663
  367    HZ   PHE  65           HZ       PHE  65   6.924   4.009  -2.304
  368    H    VAL  66           H        VAL  66   2.992  -0.785   2.258
  369    HA   VAL  66           HA       VAL  66   1.484  -0.233   4.762
  370    HB   VAL  66           HB       VAL  66   1.177  -2.822   3.186
  371   HG11  VAL  66          1HG1      VAL  66   1.345  -3.339   5.614
  372   HG12  VAL  66          2HG1      VAL  66   0.093  -2.120   5.952
  373   HG13  VAL  66          3HG1      VAL  66  -0.300  -3.578   5.025
  374   HG21  VAL  66          3HG2      VAL  66  -1.240  -2.296   3.252
  375   HG22  VAL  66          1HG2      VAL  66  -0.899  -0.762   4.077
  376   HG23  VAL  66          2HG2      VAL  66  -0.348  -1.031   2.414
  377    H    THR  67           H        THR  67   2.614  -0.672   6.496
  378    HA   THR  67           HA       THR  67   5.065  -2.409   6.380
  379    HB   THR  67           HB       THR  67   4.400  -0.350   8.508
  380    HG1  THR  67           1HG      THR  67   5.902   0.957   7.418
  381   HG21  THR  67          3HG2      THR  67   6.767  -0.544   9.083
  382   HG22  THR  67          1HG2      THR  67   6.047  -2.161   9.124
  383   HG23  THR  67          2HG2      THR  67   7.041  -1.676   7.744
  384    H    PHE  68           H        PHE  68   5.133  -4.115   7.794
  385    HA   PHE  68           HA       PHE  68   2.609  -4.778   9.254
  386    HB2  PHE  68           1HB      PHE  68   4.738  -6.536   8.013
  387    HB3  PHE  68           2HB      PHE  68   3.416  -7.123   9.012
  388    HD1  PHE  68           2HD      PHE  68   4.165  -5.373   5.783
  389    HD2  PHE  68           1HD      PHE  68   1.246  -7.520   8.124
  390    HE1  PHE  68           2HE      PHE  68   2.710  -5.577   3.785
  391    HE2  PHE  68           1HE      PHE  68  -0.202  -7.727   6.123
  392    HZ   PHE  68           HZ       PHE  68   0.533  -6.760   3.948
  393    H    MET  69           H        MET  69   2.703  -5.720  11.303
  394    HA   MET  69           HA       MET  69   4.917  -4.905  13.040
  395    HB2  MET  69           1HB      MET  69   2.448  -6.610  13.595
  396    HB3  MET  69           2HB      MET  69   3.592  -6.013  14.797
  397    HG2  MET  69           1HG      MET  69   3.047  -3.645  13.841
  398    HG3  MET  69           2HG      MET  69   1.659  -4.433  13.092
  399    HE1  MET  69           3HE      MET  69   2.358  -3.618  17.583
  400    HE2  MET  69           1HE      MET  69   3.479  -4.636  16.660
  401    HE3  MET  69           2HE      MET  69   3.269  -2.923  16.228
  402    H    ASP  70           H        ASP  70   4.549  -7.504  11.009
  403    HA   ASP  70           HA       ASP  70   6.780  -9.018  12.135
  404    HB2  ASP  70           1HB      ASP  70   5.541 -11.138  12.214
  405    HB3  ASP  70           2HB      ASP  70   4.928  -9.982  13.383
  406    H    GLN  71           H        GLN  71   7.688 -10.536  10.655
  407    HA   GLN  71           HA       GLN  71   7.346  -9.817   7.854
  408    HB2  GLN  71           1HB      GLN  71   9.518 -10.399   9.032
  409    HB3  GLN  71           2HB      GLN  71   8.980 -12.064   9.107
  410    HG2  GLN  71           1HG      GLN  71  10.533 -11.760   7.256
  411    HG3  GLN  71           2HG      GLN  71   8.954 -12.219   6.650
  412   HE21  GLN  71          2HE2      GLN  71  10.011 -11.353   4.578
  413   HE22  GLN  71          1HE2      GLN  71   9.851  -9.627   4.289
  414    H    ALA  72           H        ALA  72   6.015 -12.281   9.913
  415    HA   ALA  72           HA       ALA  72   5.502 -14.300   7.974
  416    HB1  ALA  72           1HB      ALA  72   5.429 -14.644  10.432
  417    HB2  ALA  72           2HB      ALA  72   3.946 -13.654  10.514
  418    HB3  ALA  72           3HB      ALA  72   3.944 -15.194   9.630
  419    H    GLY  73           H        GLY  73   3.638 -11.325   8.621
  420    HA2  GLY  73           1HA      GLY  73   1.475 -12.125   6.796
  421    HA3  GLY  73           2HA      GLY  73   1.756 -10.507   7.464
  422    H    VAL  74           H        VAL  74   4.491 -10.301   6.477
  423    HA   VAL  74           HA       VAL  74   4.087  -9.377   3.771
  424    HB   VAL  74           HB       VAL  74   6.665  -9.980   5.276
  425   HG11  VAL  74          1HG1      VAL  74   7.195 -10.128   2.909
  426   HG12  VAL  74          2HG1      VAL  74   6.324  -8.617   2.578
  427   HG13  VAL  74          3HG1      VAL  74   7.809  -8.601   3.546
  428   HG21  VAL  74          3HG2      VAL  74   6.852  -7.545   5.495
  429   HG22  VAL  74          1HG2      VAL  74   5.318  -7.334   4.627
  430   HG23  VAL  74          2HG2      VAL  74   5.352  -8.114   6.228
  431    H    ASP  75           H        ASP  75   5.612 -12.335   5.144
  432    HA   ASP  75           HA       ASP  75   6.374 -13.682   2.844
  433    HB2  ASP  75           1HB      ASP  75   6.740 -14.353   5.247
  434    HB3  ASP  75           2HB      ASP  75   5.077 -14.898   5.319
  435    H    LYS  76           H        LYS  76   3.112 -13.845   4.377
  436    HA   LYS  76           HA       LYS  76   1.997 -15.651   2.464
  437    HB2  LYS  76           1HB      LYS  76   0.652 -13.565   4.221
  438    HB3  LYS  76           2HB      LYS  76  -0.177 -14.874   3.343
  439    HG2  LYS  76           1HG      LYS  76   0.969 -16.569   4.667
  440    HG3  LYS  76           2HG      LYS  76   1.889 -15.320   5.514
  441    HD2  LYS  76           1HD      LYS  76  -0.450 -14.291   6.125
  442    HD3  LYS  76           2HD      LYS  76  -1.124 -15.811   5.532
  443    HE2  LYS  76           1HE      LYS  76  -0.965 -16.191   7.817
  444    HE3  LYS  76           2HE      LYS  76   0.506 -16.961   7.198
  445    HZ1  LYS  76           3HZ      LYS  76   0.980 -15.556   9.123
  446    HZ2  LYS  76           1HZ      LYS  76   1.702 -14.900   7.796
  447    HZ3  LYS  76           2HZ      LYS  76   0.323 -14.241   8.391
  448    H    VAL  77           H        VAL  77   2.189 -12.105   2.416
  449    HA   VAL  77           HA       VAL  77   0.367 -11.807   0.181
  450    HB   VAL  77           HB       VAL  77   2.439  -9.881   1.270
  451   HG11  VAL  77          1HG1      VAL  77   1.889  -9.188  -1.044
  452   HG12  VAL  77          2HG1      VAL  77   0.156  -9.301  -0.677
  453   HG13  VAL  77          3HG1      VAL  77   1.171  -8.081   0.119
  454   HG21  VAL  77          3HG2      VAL  77   0.525  -8.784   2.360
  455   HG22  VAL  77          1HG2      VAL  77  -0.610  -9.914   1.589
  456   HG23  VAL  77          2HG2      VAL  77   0.513 -10.488   2.821
  457    H    LEU  78           H        LEU  78   3.868 -12.405   0.406
  458    HA   LEU  78           HA       LEU  78   4.326 -12.085  -2.477
  459    HB2  LEU  78           1HB      LEU  78   5.926 -13.530  -0.335
  460    HB3  LEU  78           2HB      LEU  78   6.517 -13.057  -1.924
  461    HG   LEU  78           HG       LEU  78   5.572 -11.040   0.169
  462   HD11  LEU  78          1HD1      LEU  78   7.359 -12.397   1.042
  463   HD12  LEU  78          2HD1      LEU  78   8.341 -12.132  -0.417
  464   HD13  LEU  78          3HD1      LEU  78   7.974 -10.766   0.674
  465   HD21  LEU  78          3HD2      LEU  78   6.843  -9.432  -1.161
  466   HD22  LEU  78          1HD2      LEU  78   7.215 -10.689  -2.365
  467   HD23  LEU  78          2HD2      LEU  78   5.534 -10.151  -2.101
  468    H    ALA  79           H        ALA  79   3.757 -14.783  -0.233
  469    HA   ALA  79           HA       ALA  79   4.198 -16.843  -2.113
  470    HB1  ALA  79           1HB      ALA  79   4.364 -17.099   0.335
  471    HB2  ALA  79           2HB      ALA  79   2.604 -16.870   0.488
  472    HB3  ALA  79           3HB      ALA  79   3.249 -18.297  -0.350
  473    H    GLN  80           H        GLN  80   1.236 -15.013  -1.505
  474    HA   GLN  80           HA       GLN  80  -0.501 -16.962  -2.833
  475    HB2  GLN  80           1HB      GLN  80  -1.224 -15.640  -0.879
  476    HB3  GLN  80           2HB      GLN  80  -1.061 -14.149  -1.809
  477    HG2  GLN  80           1HG      GLN  80  -2.826 -14.879  -3.354
  478    HG3  GLN  80           2HG      GLN  80  -2.911 -16.457  -2.571
  479   HE21  GLN  80          2HE2      GLN  80  -4.383 -13.411  -2.677
  480   HE22  GLN  80          1HE2      GLN  80  -5.227 -13.531  -1.130
  481    H    SER  81           H        SER  81  -1.281 -16.910  -4.907
  482    HA   SER  81           HA       SER  81   0.304 -15.482  -6.822
  483    HB2  SER  81           1HB      SER  81  -2.093 -17.283  -7.291
  484    HB3  SER  81           2HB      SER  81  -0.811 -16.883  -8.447
  485    HG   SER  81           HG       SER  81  -0.470 -18.939  -7.463
  486    H    ARG  82           H        ARG  82  -2.469 -14.313  -5.352
  487    HA   ARG  82           HA       ARG  82  -2.951 -12.262  -7.359
  488    HB2  ARG  82           1HB      ARG  82  -4.248 -14.060  -8.386
  489    HB3  ARG  82           2HB      ARG  82  -5.073 -14.400  -6.858
  490    HG2  ARG  82           1HG      ARG  82  -6.205 -12.240  -6.923
  491    HG3  ARG  82           2HG      ARG  82  -5.267 -11.743  -8.344
  492    HD2  ARG  82           1HD      ARG  82  -6.378 -13.437  -9.706
  493    HD3  ARG  82           2HD      ARG  82  -7.205 -14.092  -8.283
  494    HE   ARG  82           HE       ARG  82  -8.671 -12.262  -8.243
  495   HH11  ARG  82          1HH1      ARG  82  -6.326 -11.749 -10.859
  496   HH12  ARG  82          2HH1      ARG  82  -7.035 -10.198 -11.254
  497   HH21  ARG  82          1HH2      ARG  82  -9.560 -10.312  -8.922
  498   HH22  ARG  82          2HH2      ARG  82  -8.756  -9.424 -10.207
  499    H    HIS  83           H        HIS  83  -4.021 -10.498  -6.536
  500    HA   HIS  83           HA       HIS  83  -5.339 -10.639  -3.892
  501    HB2  HIS  83           1HB      HIS  83  -3.079  -8.742  -4.643
  502    HB3  HIS  83           2HB      HIS  83  -4.136  -8.517  -3.244
  503    HD1  HIS  83           1HD      HIS  83  -3.942 -10.507  -1.315
  504    HD2  HIS  83           2HD      HIS  83  -1.049 -10.417  -4.363
  505    HE1  HIS  83           1HE      HIS  83  -2.002 -11.968  -0.513
  506    H    GLU  84           H        GLU  84  -6.915  -8.981  -3.555
  507    HA   GLU  84           HA       GLU  84  -7.652  -7.245  -5.817
  508    HB2  GLU  84           1HB      GLU  84  -8.475  -9.575  -6.344
  509    HB3  GLU  84           2HB      GLU  84  -9.482  -9.490  -4.894
  510    HG2  GLU  84           1HG      GLU  84 -10.570  -7.415  -5.881
  511    HG3  GLU  84           2HG      GLU  84  -9.633  -7.695  -7.355
  512    H    LEU  85           H        LEU  85  -8.602  -5.465  -5.139
  513    HA   LEU  85           HA       LEU  85 -10.158  -5.294  -2.648
  514    HB2  LEU  85           1HB      LEU  85  -7.859  -5.055  -1.847
  515    HB3  LEU  85           2HB      LEU  85  -7.509  -3.864  -3.106
  516    HG   LEU  85           HG       LEU  85  -9.058  -2.257  -2.040
  517   HD11  LEU  85          1HD1      LEU  85 -10.684  -3.714  -0.945
  518   HD12  LEU  85          2HD1      LEU  85  -9.420  -4.448   0.054
  519   HD13  LEU  85          3HD1      LEU  85  -9.874  -2.750   0.295
  520   HD21  LEU  85          3HD2      LEU  85  -7.664  -1.806  -0.065
  521   HD22  LEU  85          1HD2      LEU  85  -6.994  -3.450  -0.136
  522   HD23  LEU  85          2HD2      LEU  85  -6.665  -2.295  -1.446
  523    H    ASP  86           H        ASP  86 -11.713  -3.759  -2.823
  524    HA   ASP  86           HA       ASP  86 -13.250  -2.481  -3.858
  525    HB2  ASP  86           1HB      ASP  86 -11.407  -0.788  -3.474
  526    HB3  ASP  86           2HB      ASP  86 -10.964  -0.975  -5.168
  527    H    SER  87           H        SER  87 -12.491  -4.932  -5.123
  528    HA   SER  87           HA       SER  87 -12.871  -6.214  -6.947
  529    HB2  SER  87           1HB      SER  87 -14.438  -3.888  -8.107
  530    HB3  SER  87           2HB      SER  87 -14.502  -5.583  -8.594
  531    HG   SER  87           HG       SER  87 -15.229  -4.554  -6.031
  532    H    LYS  88           H        LYS  88 -10.493  -4.277  -6.907
  533    HA   LYS  88           HA       LYS  88  -9.745  -4.493  -9.801
  534    HB2  LYS  88           1HB      LYS  88  -9.012  -2.472  -7.648
  535    HB3  LYS  88           2HB      LYS  88  -7.984  -2.715  -9.051
  536    HG2  LYS  88           1HG      LYS  88 -10.931  -2.105  -9.333
  537    HG3  LYS  88           2HG      LYS  88  -9.719  -0.821  -9.141
  538    HD2  LYS  88           1HD      LYS  88  -8.530  -1.747 -11.169
  539    HD3  LYS  88           2HD      LYS  88  -9.917  -2.812 -11.439
  540    HE2  LYS  88           1HE      LYS  88  -9.987   0.245 -11.303
  541    HE3  LYS  88           2HE      LYS  88  -9.981  -0.707 -12.790
  542    HZ1  LYS  88           3HZ      LYS  88 -12.222  -0.043 -12.201
  543    HZ2  LYS  88           1HZ      LYS  88 -12.112  -1.670 -12.108
  544    HZ3  LYS  88           2HZ      LYS  88 -12.128  -0.766 -10.742
  545    H    THR  89           H        THR  89  -7.925  -5.526 -10.282
  546    HA   THR  89           HA       THR  89  -6.754  -7.392  -8.342
  547    HB   THR  89           HB       THR  89  -5.734  -6.790 -11.147
  548    HG1  THR  89           1HG      THR  89  -7.673  -7.512 -11.622
  549   HG21  THR  89          3HG2      THR  89  -4.916  -9.131 -10.977
  550   HG22  THR  89          1HG2      THR  89  -4.203  -8.112  -9.721
  551   HG23  THR  89          2HG2      THR  89  -5.521  -9.226  -9.308
  552    H    ILE  90           H        ILE  90  -5.172  -6.853  -6.937
  553    HA   ILE  90           HA       ILE  90  -3.505  -4.434  -7.537
  554    HB   ILE  90           HB       ILE  90  -3.133  -4.159  -5.185
  555   HG12  ILE  90          1HG1      ILE  90  -5.040  -6.449  -4.624
  556   HG13  ILE  90          2HG1      ILE  90  -3.280  -6.497  -4.442
  557   HG21  ILE  90          1HG2      ILE  90  -5.131  -3.128  -6.338
  558   HG22  ILE  90          2HG2      ILE  90  -6.128  -4.477  -5.767
  559   HG23  ILE  90          3HG2      ILE  90  -5.411  -3.367  -4.611
  560   HD11  ILE  90          3HD1      ILE  90  -4.147  -6.061  -2.277
  561   HD12  ILE  90          1HD1      ILE  90  -3.470  -4.518  -2.857
  562   HD13  ILE  90          2HD1      ILE  90  -5.227  -4.792  -2.872
  563    H    ASP  91           H        ASP  91  -1.314  -4.407  -6.965
  564    HA   ASP  91           HA       ASP  91   0.038  -7.066  -7.232
  565    HB2  ASP  91           1HB      ASP  91  -0.284  -5.951  -9.394
  566    HB3  ASP  91           2HB      ASP  91   0.523  -4.510  -8.776
  567    HA   PRO  92           HA       PRO  92   2.039  -4.618  -3.836
  568    HB2  PRO  92           1HB      PRO  92   1.634  -6.333  -1.731
  569    HB3  PRO  92           2HB      PRO  92   0.451  -5.104  -2.258
  570    HG2  PRO  92           1HG      PRO  92   0.453  -8.060  -2.878
  571    HG3  PRO  92           2HG      PRO  92  -0.939  -6.983  -2.467
  572    HD2  PRO  92           1HD      PRO  92  -0.303  -7.713  -5.030
  573    HD3  PRO  92           2HD      PRO  92  -1.105  -6.180  -4.567
  574    H    LYS  93           H        LYS  93   4.093  -4.892  -3.063
  575    HA   LYS  93           HA       LYS  93   5.590  -7.401  -3.379
  576    HB2  LYS  93           1HB      LYS  93   7.098  -6.478  -5.103
  577    HB3  LYS  93           2HB      LYS  93   5.440  -6.613  -5.679
  578    HG2  LYS  93           1HG      LYS  93   5.103  -4.170  -5.288
  579    HG3  LYS  93           2HG      LYS  93   6.758  -4.041  -4.687
  580    HD2  LYS  93           1HD      LYS  93   6.742  -3.258  -6.961
  581    HD3  LYS  93           2HD      LYS  93   7.615  -4.783  -6.898
  582    HE2  LYS  93           1HE      LYS  93   6.248  -4.810  -8.866
  583    HE3  LYS  93           2HE      LYS  93   5.561  -5.969  -7.729
  584    HZ1  LYS  93           3HZ      LYS  93   3.855  -4.620  -8.752
  585    HZ2  LYS  93           1HZ      LYS  93   3.868  -4.300  -7.161
  586    HZ3  LYS  93           2HZ      LYS  93   4.518  -3.224  -8.234
  587    H    VAL  94           H        VAL  94   7.954  -7.083  -2.863
  588    HA   VAL  94           HA       VAL  94   8.177  -5.924  -0.270
  589    HB   VAL  94           HB       VAL  94  10.457  -6.746  -2.120
  590   HG11  VAL  94          1HG1      VAL  94  11.321  -5.392  -0.261
  591   HG12  VAL  94          2HG1      VAL  94  10.381  -6.348   0.910
  592   HG13  VAL  94          3HG1      VAL  94  11.728  -7.084   0.013
  593   HG21  VAL  94          3HG2      VAL  94  10.415  -8.879  -0.804
  594   HG22  VAL  94          1HG2      VAL  94   8.914  -8.337  -0.024
  595   HG23  VAL  94          2HG2      VAL  94   8.968  -8.642  -1.778
  596    H    ALA  95           H        ALA  95   8.871  -3.992   0.496
  597    HA   ALA  95           HA       ALA  95   9.079  -1.803  -1.431
  598    HB1  ALA  95           1HB      ALA  95   7.618  -1.633   0.542
  599    HB2  ALA  95           2HB      ALA  95   9.033  -1.807   1.607
  600    HB3  ALA  95           3HB      ALA  95   8.873  -0.381   0.561
  601    H    PHE  96           H        PHE  96  10.771  -0.450  -1.793
  602    HA   PHE  96           HA       PHE  96  13.479  -1.042  -1.137
  603    HB2  PHE  96           1HB      PHE  96  12.280   1.692  -1.719
  604    HB3  PHE  96           2HB      PHE  96  13.953   1.218  -1.942
  605    HD1  PHE  96           2HD      PHE  96  13.364  -1.510  -3.396
  606    HD2  PHE  96           1HD      PHE  96  11.883   2.514  -3.902
  607    HE1  PHE  96           2HE      PHE  96  12.865  -1.984  -5.773
  608    HE2  PHE  96           1HE      PHE  96  11.378   2.030  -6.275
  609    HZ   PHE  96           HZ       PHE  96  11.867  -0.222  -7.220
  610    HA   PRO  97           HA       PRO  97  13.608   0.328   3.095
  611    HB2  PRO  97           1HB      PRO  97  16.250   0.925   3.483
  612    HB3  PRO  97           2HB      PRO  97  15.650  -0.744   3.238
  613    HG2  PRO  97           1HG      PRO  97  16.827   1.133   1.164
  614    HG3  PRO  97           2HG      PRO  97  17.266  -0.577   1.480
  615    HD2  PRO  97           1HD      PRO  97  15.532   0.107  -0.500
  616    HD3  PRO  97           2HD      PRO  97  15.272  -1.368   0.479
  617    H    ARG  98           H        ARG  98  13.336   2.160   4.275
  618    HA   ARG  98           HA       ARG  98  13.243   4.754   2.952
  619    HB2  ARG  98           1HB      ARG  98  12.688   3.806   5.793
  620    HB3  ARG  98           2HB      ARG  98  12.626   5.510   5.322
  621    HG2  ARG  98           1HG      ARG  98  10.925   5.044   3.633
  622    HG3  ARG  98           2HG      ARG  98  10.945   3.317   4.030
  623    HD2  ARG  98           1HD      ARG  98  10.046   3.693   6.201
  624    HD3  ARG  98           2HD      ARG  98  10.351   5.435   6.126
  625    HE   ARG  98           HE       ARG  98   8.669   5.034   3.999
  626   HH11  ARG  98          1HH1      ARG  98   8.327   4.356   7.480
  627   HH12  ARG  98          2HH1      ARG  98   6.583   4.499   7.404
  628   HH21  ARG  98          1HH2      ARG  98   6.446   5.171   4.018
  629   HH22  ARG  98          2HH2      ARG  98   5.563   4.855   5.517
  630    H    ARG  99           H        ARG  99  14.533   6.490   3.219
  631    HA   ARG  99           HA       ARG  99  17.291   6.269   3.963
  632    HB2  ARG  99           1HB      ARG  99  16.136   7.943   2.387
  633    HB3  ARG  99           2HB      ARG  99  15.783   8.863   3.861
  634    HG2  ARG  99           1HG      ARG  99  18.359   8.603   4.362
  635    HG3  ARG  99           2HG      ARG  99  18.489   8.067   2.678
  636    HD2  ARG  99           1HD      ARG  99  17.387  10.179   1.978
  637    HD3  ARG  99           2HD      ARG  99  17.313  10.680   3.674
  638    HE   ARG  99           HE       ARG  99  19.619  10.739   1.885
  639   HH11  ARG  99          1HH1      ARG  99  18.822  10.644   5.370
  640   HH12  ARG  99          2HH1      ARG  99  20.328  11.398   5.783
  641   HH21  ARG  99          1HH2      ARG  99  21.528  11.658   2.545
  642   HH22  ARG  99          2HH2      ARG  99  21.837  11.936   4.232
  643    H    ALA 100           H        ALA 100  18.390   6.833   5.834
  644    HA   ALA 100           HA       ALA 100  17.104   7.084   8.398
  645    HB1  ALA 100           1HB      ALA 100  19.420   6.258   8.099
  646    HB2  ALA 100           2HB      ALA 100  19.920   7.851   7.478
  647    HB3  ALA 100           3HB      ALA 100  19.388   7.676   9.163
  648    H    GLN 101           H        GLN 101  16.635   8.906   9.623
  649    HA   GLN 101           HA       GLN 101  16.710  11.599   8.367
  650    HB2  GLN 101           1HB      GLN 101  14.259   9.954   9.122
  651    HB3  GLN 101           2HB      GLN 101  14.192  11.710   9.015
  652    HG2  GLN 101           1HG      GLN 101  14.592  11.733   6.678
  653    HG3  GLN 101           2HG      GLN 101  15.162  10.072   6.651
  654   HE21  GLN 101          2HE2      GLN 101  13.696   8.358   6.455
  655   HE22  GLN 101          1HE2      GLN 101  11.955   8.626   6.290
  656    HA   PRO 102           HA       PRO 102  17.249  12.668  12.679
  657    HB2  PRO 102           1HB      PRO 102  16.836  15.354  12.664
  658    HB3  PRO 102           2HB      PRO 102  18.227  14.599  11.825
  659    HG2  PRO 102           1HG      PRO 102  15.573  15.456  10.623
  660    HG3  PRO 102           2HG      PRO 102  17.224  15.817  10.028
  661    HD2  PRO 102           1HD      PRO 102  15.723  13.746   9.045
  662    HD3  PRO 102           2HD      PRO 102  17.504  13.643   9.192
  663    H    LYS 103           H        LYS 103  16.111  13.020  14.548
  664    HA   LYS 103           HA       LYS 103  13.590  14.213  14.850
  665    HB2  LYS 103           1HB      LYS 103  12.107  12.469  15.367
  666    HB3  LYS 103           2HB      LYS 103  12.676  12.186  13.746
  667    HG2  LYS 103           1HG      LYS 103  13.608  10.664  16.233
  668    HG3  LYS 103           2HG      LYS 103  12.346  10.169  15.124
  669    HD2  LYS 103           1HD      LYS 103  13.990   8.927  14.228
  670    HD3  LYS 103           2HD      LYS 103  14.271  10.394  13.289
  671    HE2  LYS 103           1HE      LYS 103  16.018  11.057  14.994
  672    HE3  LYS 103           2HE      LYS 103  15.730   9.538  15.840
  673    HZ1  LYS 103           3HZ      LYS 103  17.626   9.404  14.296
  674    HZ2  LYS 103           1HZ      LYS 103  16.458   8.352  13.856
  675    HZ3  LYS 103           2HZ      LYS 103  16.651   9.747  13.021
  676    H5'    G 104           H5'        G 104  -3.956  -0.240 -14.011
  677   H5''    G 104          H5"         G 104  -2.415   0.184 -13.254
  678    H4'    G 104           H4'        G 104  -3.431   2.132 -14.319
  679    H3'    G 104           H3'        G 104  -2.647   2.081 -11.533
  680    H2'    G 104           H2'        G 104  -4.695   2.695 -10.721
  681   HO2'    G 104          HO2         G 104  -3.409   4.963 -11.666
  682    H1'    G 104           H1'        G 104  -5.386   4.061 -13.339
  683    H8     G 104           8H         G 104  -6.737   2.827 -10.039
  684    H1     G 104           1H         G 104 -11.298   4.054 -14.412
  685    H21    G 104           1H2        G 104 -10.305   4.442 -16.400
  686    H22    G 104           2H2        G 104  -8.557   4.339 -16.530
  687   HO5'    G 104          H5T         G 104  -4.935  -0.183 -11.946
  688    H5'    U 105           H5'        U 105  -1.008   3.204 -10.232
  689   H5''    U 105          H5"         U 105   0.101   4.406 -10.892
  690    H4'    U 105           H4'        U 105   1.093   3.418  -8.972
  691    H3'    U 105           H3'        U 105   2.457   3.578 -11.340
  692    H2'    U 105           H2'        U 105   2.054   1.352 -11.999
  693   HO2'    U 105          HO2         U 105   4.551   1.708 -11.024
  694    H1'    U 105           H1'        U 105   2.576   0.412  -9.179
  695    H3     U 105           3H         U 105   1.989  -3.886 -10.551
  696    H5     U 105           5H         U 105  -1.057  -1.843 -12.572
  697    H6     U 105           6H         U 105  -0.250   0.250 -11.604
  698    H5'    A 106           H5'        A 106   3.912   4.471  -7.195
  699   H5''    A 106          H5"         A 106   4.489   5.981  -7.896
  700    H4'    A 106           H4'        A 106   5.041   5.859  -5.562
  701    H3'    A 106           H3'        A 106   6.921   6.692  -7.332
  702    H2'    A 106           H2'        A 106   7.789   4.436  -7.631
  703   HO2'    A 106          HO2         A 106   9.429   5.892  -5.826
  704    H1'    A 106           H1'        A 106   7.793   4.249  -4.614
  705    H8     A 106           8H         A 106   7.185   2.072  -7.818
  706    H61    A 106           1H6        A 106   9.497  -2.407  -4.055
  707    H62    A 106           2H6        A 106   8.946  -2.132  -5.710
  708    H2     A 106           2H         A 106   9.490   1.279  -1.860
  709    H5'    G 107           H5'        G 107   5.762   8.620  -4.015
  710   H5''    G 107          H5"         G 107   6.542  10.205  -3.936
  711    H4'    G 107           H4'        G 107   5.279   9.989  -1.938
  712    H3'    G 107           H3'        G 107   8.204   9.405  -1.371
  713    H2'    G 107           H2'        G 107   7.615   9.176   0.880
  714   HO2'    G 107          HO2         G 107   6.208  11.244   0.643
  715    H1'    G 107           H1'        G 107   4.953   8.272   0.424
  716    H8     G 107           8H         G 107   5.387   6.560   2.316
  717    H1     G 107           1H         G 107  10.692   4.286  -0.562
  718    H21    G 107           1H2        G 107  10.955   5.343  -2.535
  719    H22    G 107           2H2        G 107   9.834   6.592  -3.033
  720    H5'    U 108           H5'        U 108  10.695  12.634   1.195
  721   H5''    U 108          H5"         U 108  11.470  11.797  -0.150
  722    H4'    U 108           H4'        U 108  12.480  11.076   1.897
  723    H3'    U 108           H3'        U 108  11.437   9.211   0.072
  724   HO3'    U 108          H3T         U 108  13.547   9.027   0.877
  725    H2'    U 108           H2'        U 108   9.540   8.730   1.398
  726   HO2'    U 108          HO2         U 108  11.672   7.022   1.989
  727    H1'    U 108           H1'        U 108  11.367   8.914   3.813
  728    H3     U 108           3H         U 108   8.125   7.625   6.705
  729    H5     U 108           5H         U 108   5.981   9.848   3.880
  730    H6     U 108           6H         U 108   8.070  10.284   2.692
  Start of MODEL   12
    1    H    CYS  20           1H       CYS  20  10.420  -4.385   6.577
    2    HA   CYS  20           HA       CYS  20   8.918  -6.263   6.542
    3    HB2  CYS  20           1HB      CYS  20   7.686  -5.042   9.055
    4    HB3  CYS  20           2HB      CYS  20   7.193  -6.517   8.255
    5    HG   CYS  20           HG       CYS  20   8.483  -6.951  10.577
    6    H    LYS  21           H        LYS  21   8.739  -4.666   4.618
    7    HA   LYS  21           HA       LYS  21   6.156  -3.235   4.739
    8    HB2  LYS  21           1HB      LYS  21   7.928  -1.675   5.592
    9    HB3  LYS  21           2HB      LYS  21   8.745  -1.783   4.030
   10    HG2  LYS  21           1HG      LYS  21   6.847  -0.764   2.895
   11    HG3  LYS  21           2HG      LYS  21   5.834  -0.931   4.335
   12    HD2  LYS  21           1HD      LYS  21   7.294   0.687   5.527
   13    HD3  LYS  21           2HD      LYS  21   8.251   0.890   4.045
   14    HE2  LYS  21           1HE      LYS  21   6.314   1.705   2.821
   15    HE3  LYS  21           2HE      LYS  21   5.219   1.276   4.155
   16    HZ1  LYS  21           3HZ      LYS  21   5.864   3.678   3.955
   17    HZ2  LYS  21           1HZ      LYS  21   6.066   3.016   5.456
   18    HZ3  LYS  21           2HZ      LYS  21   7.360   3.276   4.433
   19    H    MET  22           H        MET  22   5.192  -2.703   2.865
   20    HA   MET  22           HA       MET  22   6.271  -3.819   0.327
   21    HB2  MET  22           1HB      MET  22   3.511  -4.334   1.526
   22    HB3  MET  22           2HB      MET  22   4.078  -4.876  -0.058
   23    HG2  MET  22           1HG      MET  22   5.961  -6.102   1.164
   24    HG3  MET  22           2HG      MET  22   5.138  -5.689   2.666
   25    HE1  MET  22           3HE      MET  22   4.002  -8.771  -0.506
   26    HE2  MET  22           1HE      MET  22   4.012  -7.050  -0.953
   27    HE3  MET  22           2HE      MET  22   5.490  -7.822  -0.338
   28    H    PHE  23           H        PHE  23   5.731  -2.834  -1.452
   29    HA   PHE  23           HA       PHE  23   4.163  -0.305  -1.525
   30    HB2  PHE  23           1HB      PHE  23   6.201  -0.215  -2.764
   31    HB3  PHE  23           2HB      PHE  23   5.998  -1.837  -3.405
   32    HD1  PHE  23           1HD      PHE  23   4.366  -2.321  -5.225
   33    HD2  PHE  23           2HD      PHE  23   5.149   1.703  -3.882
   34    HE1  PHE  23           1HE      PHE  23   3.314  -1.427  -7.284
   35    HE2  PHE  23           2HE      PHE  23   4.136   2.575  -5.968
   36    HZ   PHE  23           HZ       PHE  23   3.216   1.033  -7.667
   37    H    ILE  24           H        ILE  24   2.139  -0.258  -2.546
   38    HA   ILE  24           HA       ILE  24   0.963  -2.910  -3.361
   39    HB   ILE  24           HB       ILE  24  -0.598  -0.699  -2.004
   40   HG12  ILE  24          1HG1      ILE  24   1.037  -1.293  -0.330
   41   HG13  ILE  24          2HG1      ILE  24  -0.577  -1.813   0.085
   42   HG21  ILE  24          1HG2      ILE  24  -1.845  -2.352  -3.333
   43   HG22  ILE  24          2HG2      ILE  24  -1.115  -3.677  -2.410
   44   HG23  ILE  24          3HG2      ILE  24  -2.199  -2.521  -1.606
   45   HD11  ILE  24          3HD1      ILE  24   1.169  -3.456   0.724
   46   HD12  ILE  24          1HD1      ILE  24  -0.010  -4.147  -0.396
   47   HD13  ILE  24          2HD1      ILE  24   1.597  -3.671  -0.976
   48    H    GLY  25           H        GLY  25   1.070  -2.674  -5.583
   49    HA2  GLY  25           1HA      GLY  25   0.134  -0.170  -6.885
   50    HA3  GLY  25           2HA      GLY  25   0.871  -1.586  -7.661
   51    H    GLY  26           H        GLY  26  -1.332  -0.366  -8.769
   52    HA2  GLY  26           1HA      GLY  26  -3.108  -1.201  -9.994
   53    HA3  GLY  26           2HA      GLY  26  -2.961  -2.748  -9.136
   54    H    LEU  27           H        LEU  27  -3.425   0.080  -7.171
   55    HA   LEU  27           HA       LEU  27  -5.891  -0.941  -6.043
   56    HB2  LEU  27           1HB      LEU  27  -4.553   1.787  -5.762
   57    HB3  LEU  27           2HB      LEU  27  -5.864   1.199  -4.769
   58    HG   LEU  27           HG       LEU  27  -3.043   0.051  -4.816
   59   HD11  LEU  27          1HD1      LEU  27  -3.376   2.291  -3.715
   60   HD12  LEU  27          2HD1      LEU  27  -4.595   1.570  -2.666
   61   HD13  LEU  27          3HD1      LEU  27  -2.907   1.017  -2.571
   62   HD21  LEU  27          3HD2      LEU  27  -3.906  -1.225  -2.780
   63   HD22  LEU  27          1HD2      LEU  27  -5.545  -0.857  -3.356
   64   HD23  LEU  27          2HD2      LEU  27  -4.419  -1.790  -4.370
   65    H    SER  28           H        SER  28  -7.859   0.306  -5.817
   66    HA   SER  28           HA       SER  28  -8.912   1.439  -8.331
   67    HB2  SER  28           1HB      SER  28 -10.293  -0.040  -6.935
   68    HB3  SER  28           2HB      SER  28 -10.120   1.069  -5.566
   69    HG   SER  28           HG       SER  28 -12.062   1.403  -6.580
   70    H    TRP  29           H        TRP  29  -9.532   3.632  -8.607
   71    HA   TRP  29           HA       TRP  29  -7.924   5.633  -7.481
   72    HB2  TRP  29           1HB      TRP  29 -10.536   5.737  -8.991
   73    HB3  TRP  29           2HB      TRP  29  -9.677   7.181  -8.497
   74    HD1  TRP  29           HD       TRP  29  -6.704   5.927  -9.243
   75    HE1  TRP  29           1HE      TRP  29  -6.006   5.844 -11.680
   76    HE3  TRP  29           3HE      TRP  29 -11.328   6.374 -11.417
   77    HZ2  TRP  29           2HZ      TRP  29  -7.260   6.122 -14.285
   78    HZ3  TRP  29           3HZ      TRP  29 -11.538   6.462 -13.886
   79    HH2  TRP  29           HH       TRP  29  -9.518   6.331 -15.329
   80    H    GLN  30           H        GLN  30 -10.677   4.275  -5.998
   81    HA   GLN  30           HA       GLN  30 -10.986   6.607  -4.144
   82    HB2  GLN  30           1HB      GLN  30 -13.232   5.821  -3.714
   83    HB3  GLN  30           2HB      GLN  30 -12.990   6.081  -5.442
   84    HG2  GLN  30           1HG      GLN  30 -12.732   3.651  -5.800
   85    HG3  GLN  30           2HG      GLN  30 -12.895   3.356  -4.068
   86   HE21  GLN  30          2HE2      GLN  30 -14.587   1.883  -5.269
   87   HE22  GLN  30          1HE2      GLN  30 -16.214   2.576  -5.351
   88    H    THR  31           H        THR  31  -9.136   3.994  -4.157
   89    HA   THR  31           HA       THR  31  -9.773   2.629  -1.700
   90    HB   THR  31           HB       THR  31  -7.032   2.935  -2.989
   91    HG1  THR  31           1HG      THR  31  -8.284   2.145  -4.525
   92   HG21  THR  31          3HG2      THR  31  -6.748   0.610  -2.026
   93   HG22  THR  31          1HG2      THR  31  -6.870   1.874  -0.798
   94   HG23  THR  31          2HG2      THR  31  -8.270   0.829  -1.148
   95    H    THR  32           H        THR  32  -9.081   2.977   0.376
   96    HA   THR  32           HA       THR  32  -7.495   5.437   0.990
   97    HB   THR  32           HB       THR  32  -8.715   5.635   3.085
   98    HG1  THR  32           1HG      THR  32 -10.606   4.259   3.317
   99   HG21  THR  32          3HG2      THR  32 -10.874   6.364   2.281
  100   HG22  THR  32          1HG2      THR  32  -9.660   6.762   1.054
  101   HG23  THR  32          2HG2      THR  32 -10.738   5.368   0.819
  102    H    GLN  33           H        GLN  33  -6.198   5.285   2.927
  103    HA   GLN  33           HA       GLN  33  -4.780   2.765   3.137
  104    HB2  GLN  33           1HB      GLN  33  -3.465   3.963   4.900
  105    HB3  GLN  33           2HB      GLN  33  -3.509   4.650   3.287
  106    HG2  GLN  33           1HG      GLN  33  -5.286   6.291   4.138
  107    HG3  GLN  33           2HG      GLN  33  -4.856   5.738   5.764
  108   HE21  GLN  33          2HE2      GLN  33  -3.240   7.087   6.699
  109   HE22  GLN  33          1HE2      GLN  33  -2.076   7.990   5.745
  110    H    GLU  34           H        GLU  34  -7.476   4.065   4.895
  111    HA   GLU  34           HA       GLU  34  -7.369   2.085   7.047
  112    HB2  GLU  34           1HB      GLU  34  -9.676   3.732   5.927
  113    HB3  GLU  34           2HB      GLU  34  -9.775   2.674   7.341
  114    HG2  GLU  34           1HG      GLU  34  -8.000   4.013   8.464
  115    HG3  GLU  34           2HG      GLU  34  -7.955   5.108   7.079
  116    H    GLY  35           H        GLY  35  -8.771   2.246   3.749
  117    HA2  GLY  35           1HA      GLY  35 -10.055  -0.337   3.784
  118    HA3  GLY  35           2HA      GLY  35  -9.593   0.617   2.355
  119    H    LEU  36           H        LEU  36  -6.730   0.741   2.892
  120    HA   LEU  36           HA       LEU  36  -5.826  -1.874   2.122
  121    HB2  LEU  36           1HB      LEU  36  -4.156   0.302   3.483
  122    HB3  LEU  36           2HB      LEU  36  -3.559  -1.122   2.664
  123    HG   LEU  36           HG       LEU  36  -4.830   1.315   1.412
  124   HD11  LEU  36          1HD1      LEU  36  -2.411   1.368   1.972
  125   HD12  LEU  36          2HD1      LEU  36  -2.158  -0.083   0.978
  126   HD13  LEU  36          3HD1      LEU  36  -2.687   1.426   0.219
  127   HD21  LEU  36          3HD2      LEU  36  -4.553   0.163  -0.784
  128   HD22  LEU  36          1HD2      LEU  36  -4.242  -1.360   0.077
  129   HD23  LEU  36          2HD2      LEU  36  -5.820  -0.537   0.222
  130    H    ARG  37           H        ARG  37  -5.681  -0.290   5.380
  131    HA   ARG  37           HA       ARG  37  -4.708  -2.553   6.752
  132    HB2  ARG  37           1HB      ARG  37  -4.904  -0.327   7.748
  133    HB3  ARG  37           2HB      ARG  37  -6.666  -0.408   7.679
  134    HG2  ARG  37           1HG      ARG  37  -6.672  -2.303   9.277
  135    HG3  ARG  37           2HG      ARG  37  -4.901  -2.281   9.310
  136    HD2  ARG  37           1HD      ARG  37  -5.029   0.110  10.103
  137    HD3  ARG  37           2HD      ARG  37  -6.783  -0.053  10.174
  138    HE   ARG  37           HE       ARG  37  -4.793  -1.141  12.031
  139   HH11  ARG  37          1HH1      ARG  37  -8.175  -1.460  11.022
  140   HH12  ARG  37          2HH1      ARG  37  -8.635  -2.230  12.511
  141   HH21  ARG  37          1HH2      ARG  37  -5.461  -2.135  13.918
  142   HH22  ARG  37          2HH2      ARG  37  -7.120  -2.606  14.120
  143    H    GLU  38           H        GLU  38  -8.084  -1.795   5.902
  144    HA   GLU  38           HA       GLU  38  -9.319  -3.943   7.189
  145    HB2  GLU  38           1HB      GLU  38 -10.214  -1.831   5.732
  146    HB3  GLU  38           2HB      GLU  38 -10.404  -3.093   4.510
  147    HG2  GLU  38           1HG      GLU  38 -11.688  -4.432   6.210
  148    HG3  GLU  38           2HG      GLU  38 -11.486  -3.091   7.348
  149    H    TYR  39           H        TYR  39  -7.727  -3.899   3.993
  150    HA   TYR  39           HA       TYR  39  -8.454  -6.676   3.359
  151    HB2  TYR  39           1HB      TYR  39  -8.286  -4.818   1.701
  152    HB3  TYR  39           2HB      TYR  39  -6.549  -4.756   1.976
  153    HD1  TYR  39           1HD      TYR  39  -9.346  -6.990   0.883
  154    HD2  TYR  39           2HD      TYR  39  -5.084  -6.334   0.889
  155    HE1  TYR  39           1HE      TYR  39  -9.048  -8.917  -0.661
  156    HE2  TYR  39           2HE      TYR  39  -4.780  -8.243  -0.654
  157    HH   TYR  39           HH       TYR  39  -5.829 -10.019  -1.756
  158    H    PHE  40           H        PHE  40  -5.570  -4.932   4.480
  159    HA   PHE  40           HA       PHE  40  -3.903  -7.295   4.210
  160    HB2  PHE  40           1HB      PHE  40  -3.381  -4.401   4.815
  161    HB3  PHE  40           2HB      PHE  40  -2.146  -5.581   5.131
  162    HD1  PHE  40           2HD      PHE  40  -1.667  -7.339   3.177
  163    HD2  PHE  40           1HD      PHE  40  -3.654  -3.569   2.552
  164    HE1  PHE  40           2HE      PHE  40  -1.222  -7.498   0.744
  165    HE2  PHE  40           1HE      PHE  40  -3.214  -3.734   0.128
  166    HZ   PHE  40           HZ       PHE  40  -1.995  -5.702  -0.787
  167    H    GLY  41           H        GLY  41  -5.729  -6.016   6.829
  168    HA2  GLY  41           1HA      GLY  41  -4.359  -7.249   9.014
  169    HA3  GLY  41           2HA      GLY  41  -6.094  -6.879   8.930
  170    H    GLN  42           H        GLN  42  -5.872  -8.770   6.352
  171    HA   GLN  42           HA       GLN  42  -6.669 -11.274   7.597
  172    HB2  GLN  42           1HB      GLN  42  -5.841 -10.677   4.720
  173    HB3  GLN  42           2HB      GLN  42  -6.697 -12.112   5.287
  174    HG2  GLN  42           1HG      GLN  42  -8.623 -10.663   5.971
  175    HG3  GLN  42           2HG      GLN  42  -7.771  -9.264   5.321
  176   HE21  GLN  42          2HE2      GLN  42  -7.278  -9.261   2.949
  177   HE22  GLN  42          1HE2      GLN  42  -8.352 -10.159   1.878
  178    H    PHE  43           H        PHE  43  -3.604  -9.934   6.523
  179    HA   PHE  43           HA       PHE  43  -2.280 -12.598   6.552
  180    HB2  PHE  43           1HB      PHE  43  -1.278  -9.922   5.516
  181    HB3  PHE  43           2HB      PHE  43  -0.536 -11.487   5.271
  182    HD1  PHE  43           2HD      PHE  43  -1.684 -13.207   3.789
  183    HD2  PHE  43           1HD      PHE  43  -3.141  -9.190   4.168
  184    HE1  PHE  43           2HE      PHE  43  -3.024 -13.506   1.730
  185    HE2  PHE  43           1HE      PHE  43  -4.495  -9.472   2.106
  186    HZ   PHE  43           HZ       PHE  43  -4.446 -11.650   0.888
  187    H    GLY  44           H        GLY  44  -2.241  -9.488   8.223
  188    HA2  GLY  44           1HA      GLY  44  -1.097 -10.488  10.606
  189    HA3  GLY  44           2HA      GLY  44   0.200  -9.744   9.688
  190    H    GLU  45           H        GLU  45  -0.480  -8.711  12.143
  191    HA   GLU  45           HA       GLU  45  -2.327  -6.490  11.965
  192    HB2  GLU  45           1HB      GLU  45  -1.698  -7.583  14.085
  193    HB3  GLU  45           2HB      GLU  45  -0.046  -6.971  13.925
  194    HG2  GLU  45           1HG      GLU  45  -0.827  -4.665  14.107
  195    HG3  GLU  45           2HG      GLU  45  -2.512  -5.177  13.990
  196    H    VAL  46           H        VAL  46  -2.015  -4.562  10.979
  197    HA   VAL  46           HA       VAL  46   0.563  -4.028   9.732
  198    HB   VAL  46           HB       VAL  46  -0.418  -2.452   8.372
  199   HG11  VAL  46          1HG1      VAL  46  -1.103  -4.801   7.884
  200   HG12  VAL  46          2HG1      VAL  46  -2.631  -4.501   8.749
  201   HG13  VAL  46          3HG1      VAL  46  -2.244  -3.586   7.286
  202   HG21  VAL  46          3HG2      VAL  46  -2.787  -1.656   8.630
  203   HG22  VAL  46          1HG2      VAL  46  -2.733  -2.258  10.300
  204   HG23  VAL  46          2HG2      VAL  46  -1.610  -0.977   9.747
  205    H    LYS  47           H        LYS  47   1.789  -2.232   9.927
  206    HA   LYS  47           HA       LYS  47   1.820  -0.934  12.602
  207    HB2  LYS  47           1HB      LYS  47   3.606  -2.439  11.756
  208    HB3  LYS  47           2HB      LYS  47   3.958  -1.306  10.459
  209    HG2  LYS  47           1HG      LYS  47   4.724   0.376  12.030
  210    HG3  LYS  47           2HG      LYS  47   4.127  -0.568  13.407
  211    HD2  LYS  47           1HD      LYS  47   5.761  -2.368  12.869
  212    HD3  LYS  47           2HD      LYS  47   6.367  -1.400  11.506
  213    HE2  LYS  47           1HE      LYS  47   6.992   0.420  13.080
  214    HE3  LYS  47           2HE      LYS  47   6.358  -0.522  14.435
  215    HZ1  LYS  47           3HZ      LYS  47   8.759  -0.763  14.240
  216    HZ2  LYS  47           1HZ      LYS  47   8.050  -2.208  13.972
  217    HZ3  LYS  47           2HZ      LYS  47   8.640  -1.339  12.717
  218    H    GLU  48           H        GLU  48   1.214  -0.117   9.350
  219    HA   GLU  48           HA       GLU  48   1.334   2.798   9.909
  220    HB2  GLU  48           1HB      GLU  48   3.578   2.018   9.168
  221    HB3  GLU  48           2HB      GLU  48   2.874   1.541   7.623
  222    HG2  GLU  48           1HG      GLU  48   2.381   3.839   7.066
  223    HG3  GLU  48           2HG      GLU  48   2.761   4.373   8.711
  224    H    CYS  49           H        CYS  49   1.143   1.234   6.779
  225    HA   CYS  49           HA       CYS  49  -0.354   1.185   5.092
  226    HB2  CYS  49           1HB      CYS  49  -2.467   1.827   7.159
  227    HB3  CYS  49           2HB      CYS  49  -2.795   1.696   5.427
  228    HG   CYS  49           HG       CYS  49  -1.305  -0.536   7.348
  229    H    LEU  50           H        LEU  50  -0.427   2.572   3.443
  230    HA   LEU  50           HA       LEU  50  -1.024   5.459   3.816
  231    HB2  LEU  50           1HB      LEU  50   1.546   4.255   2.742
  232    HB3  LEU  50           2HB      LEU  50   1.020   5.853   2.257
  233    HG   LEU  50           HG       LEU  50   1.689   5.057   5.113
  234   HD11  LEU  50          1HD1      LEU  50   3.647   5.064   3.599
  235   HD12  LEU  50          2HD1      LEU  50   3.243   6.708   3.055
  236   HD13  LEU  50          3HD1      LEU  50   3.721   6.411   4.743
  237   HD21  LEU  50          3HD2      LEU  50   1.640   7.523   5.511
  238   HD22  LEU  50          1HD2      LEU  50   1.046   7.769   3.854
  239   HD23  LEU  50          2HD2      LEU  50   0.050   6.910   5.052
  240    H    VAL  51           H        VAL  51  -1.922   6.409   2.039
  241    HA   VAL  51           HA       VAL  51  -1.737   5.022  -0.613
  242    HB   VAL  51           HB       VAL  51  -4.274   6.228   0.563
  243   HG11  VAL  51          1HG1      VAL  51  -4.086   6.975  -1.773
  244   HG12  VAL  51          2HG1      VAL  51  -3.716   5.318  -2.298
  245   HG13  VAL  51          3HG1      VAL  51  -5.314   5.724  -1.644
  246   HG21  VAL  51          3HG2      VAL  51  -5.240   4.005   0.028
  247   HG22  VAL  51          1HG2      VAL  51  -3.652   3.446  -0.528
  248   HG23  VAL  51          2HG2      VAL  51  -3.908   3.869   1.181
  249    H    MET  52           H        MET  52  -0.989   6.300  -2.128
  250    HA   MET  52           HA       MET  52  -0.119   9.005  -1.369
  251    HB2  MET  52           1HB      MET  52   0.534   7.139  -3.671
  252    HB3  MET  52           2HB      MET  52   1.266   8.741  -3.455
  253    HG2  MET  52           1HG      MET  52   1.433   6.559  -1.340
  254    HG3  MET  52           2HG      MET  52   2.637   6.828  -2.580
  255    HE1  MET  52           3HE      MET  52   2.321   8.890   1.377
  256    HE2  MET  52           1HE      MET  52   0.861   8.297   0.552
  257    HE3  MET  52           2HE      MET  52   2.205   7.181   0.900
  258    H    ARG  53           H        ARG  53  -2.702   9.216  -1.528
  259    HA   ARG  53           HA       ARG  53  -3.758   9.798  -4.121
  260    HB2  ARG  53           1HB      ARG  53  -5.795  10.463  -2.935
  261    HB3  ARG  53           2HB      ARG  53  -5.153   8.947  -2.314
  262    HG2  ARG  53           1HG      ARG  53  -4.031  10.387  -0.456
  263    HG3  ARG  53           2HG      ARG  53  -5.111  11.683  -1.001
  264    HD2  ARG  53           1HD      ARG  53  -7.068  10.311  -0.542
  265    HD3  ARG  53           2HD      ARG  53  -6.073   8.906  -0.165
  266    HE   ARG  53           HE       ARG  53  -6.705  11.135   1.581
  267   HH11  ARG  53          1HH1      ARG  53  -4.157   8.729   1.050
  268   HH12  ARG  53          2HH1      ARG  53  -3.744   8.648   2.730
  269   HH21  ARG  53          1HH2      ARG  53  -6.062  11.057   3.722
  270   HH22  ARG  53          2HH2      ARG  53  -4.764  10.011   4.209
  271    H    ASP  54           H        ASP  54  -4.456  11.706  -5.024
  272    HA   ASP  54           HA       ASP  54  -2.932  14.156  -4.370
  273    HB2  ASP  54           1HB      ASP  54  -4.869  13.440  -6.597
  274    HB3  ASP  54           2HB      ASP  54  -4.179  15.047  -6.385
  275    HA   PRO  55           HA       PRO  55  -6.447  15.418  -1.876
  276    HB2  PRO  55           1HB      PRO  55  -5.622  17.876  -1.008
  277    HB3  PRO  55           2HB      PRO  55  -4.903  16.339  -0.440
  278    HG2  PRO  55           1HG      PRO  55  -3.871  18.186  -2.613
  279    HG3  PRO  55           2HG      PRO  55  -2.960  17.463  -1.251
  280    HD2  PRO  55           1HD      PRO  55  -2.955  16.369  -3.756
  281    HD3  PRO  55           2HD      PRO  55  -2.904  15.350  -2.285
  282    H    LEU  56           H        LEU  56  -5.510  17.082  -4.795
  283    HA   LEU  56           HA       LEU  56  -7.673  19.031  -4.806
  284    HB2  LEU  56           1HB      LEU  56  -5.661  17.994  -6.847
  285    HB3  LEU  56           2HB      LEU  56  -6.961  19.049  -7.333
  286    HG   LEU  56           HG       LEU  56  -4.898  20.267  -7.044
  287   HD11  LEU  56          1HD1      LEU  56  -7.067  21.415  -6.667
  288   HD12  LEU  56          2HD1      LEU  56  -6.916  21.111  -4.922
  289   HD13  LEU  56          3HD1      LEU  56  -5.736  22.141  -5.750
  290   HD21  LEU  56          3HD2      LEU  56  -3.824  20.672  -4.925
  291   HD22  LEU  56          1HD2      LEU  56  -5.024  19.700  -4.059
  292   HD23  LEU  56          2HD2      LEU  56  -3.890  18.922  -5.195
  293    H    THR  57           H        THR  57  -7.407  15.706  -5.818
  294    HA   THR  57           HA       THR  57 -10.143  15.750  -7.054
  295    HB   THR  57           HB       THR  57  -9.263  14.183  -8.748
  296    HG1  THR  57           1HG      THR  57  -6.930  14.023  -8.830
  297   HG21  THR  57          3HG2      THR  57  -8.005  15.729 -10.098
  298   HG22  THR  57          1HG2      THR  57  -9.230  16.653  -9.213
  299   HG23  THR  57          2HG2      THR  57  -7.533  16.692  -8.684
  300    H    LYS  58           H        LYS  58  -8.154  14.287  -4.742
  301    HA   LYS  58           HA       LYS  58  -8.238  12.519  -3.397
  302    HB2  LYS  58           1HB      LYS  58 -11.177  12.551  -4.180
  303    HB3  LYS  58           2HB      LYS  58 -10.510  11.385  -3.056
  304    HG2  LYS  58           1HG      LYS  58 -11.486  13.164  -1.829
  305    HG3  LYS  58           2HG      LYS  58  -9.750  13.152  -1.546
  306    HD2  LYS  58           1HD      LYS  58  -9.444  15.104  -2.969
  307    HD3  LYS  58           2HD      LYS  58 -11.140  15.076  -3.474
  308    HE2  LYS  58           1HE      LYS  58 -10.157  15.483  -0.607
  309    HE3  LYS  58           2HE      LYS  58 -10.499  16.801  -1.728
  310    HZ1  LYS  58           3HZ      LYS  58 -12.398  16.376  -0.309
  311    HZ2  LYS  58           1HZ      LYS  58 -12.802  16.028  -1.852
  312    HZ3  LYS  58           2HZ      LYS  58 -12.500  14.820  -0.789
  313    H    ARG  59           H        ARG  59  -8.021  12.148  -6.557
  314    HA   ARG  59           HA       ARG  59  -8.256   9.318  -7.040
  315    HB2  ARG  59           1HB      ARG  59  -6.387  11.440  -8.179
  316    HB3  ARG  59           2HB      ARG  59  -6.447   9.779  -8.763
  317    HG2  ARG  59           1HG      ARG  59  -8.809  11.698  -8.790
  318    HG3  ARG  59           2HG      ARG  59  -7.741  11.348 -10.161
  319    HD2  ARG  59           1HD      ARG  59  -8.422   8.898  -9.919
  320    HD3  ARG  59           2HD      ARG  59  -9.637   9.438  -8.756
  321    HE   ARG  59           HE       ARG  59 -10.900  10.408 -10.445
  322   HH11  ARG  59          1HH1      ARG  59  -7.879   9.247 -11.883
  323   HH12  ARG  59          2HH1      ARG  59  -8.511   9.349 -13.499
  324   HH21  ARG  59          1HH2      ARG  59 -11.637  10.524 -12.553
  325   HH22  ARG  59          2HH2      ARG  59 -10.593  10.081 -13.869
  326    H    SER  60           H        SER  60  -7.196   7.702  -6.312
  327    HA   SER  60           HA       SER  60  -5.146   7.900  -4.295
  328    HB2  SER  60           1HB      SER  60  -5.301   5.510  -4.201
  329    HB3  SER  60           2HB      SER  60  -6.938   6.131  -4.498
  330    HG   SER  60           HG       SER  60  -6.566   4.446  -5.916
  331    H    ARG  61           H        ARG  61  -4.759   8.127  -7.613
  332    HA   ARG  61           HA       ARG  61  -3.118   7.856  -9.142
  333    HB2  ARG  61           1HB      ARG  61  -1.209   7.621  -6.772
  334    HB3  ARG  61           2HB      ARG  61  -0.726   7.677  -8.460
  335    HG2  ARG  61           1HG      ARG  61  -1.774   9.904  -8.724
  336    HG3  ARG  61           2HG      ARG  61  -2.250   9.876  -7.020
  337    HD2  ARG  61           1HD      ARG  61  -0.227  11.207  -7.281
  338    HD3  ARG  61           2HD      ARG  61   0.115   9.751  -6.341
  339    HE   ARG  61           HE       ARG  61   0.663   9.666  -9.253
  340   HH11  ARG  61          1HH1      ARG  61   2.160  10.046  -6.033
  341   HH12  ARG  61          2HH1      ARG  61   3.684   9.404  -6.643
  342   HH21  ARG  61          1HH2      ARG  61   2.748   8.892  -9.845
  343   HH22  ARG  61          2HH2      ARG  61   3.986   8.833  -8.595
  344    H    GLY  62           H        GLY  62  -4.346   5.401  -7.440
  345    HA2  GLY  62           1HA      GLY  62  -4.589   3.183  -7.985
  346    HA3  GLY  62           2HA      GLY  62  -3.369   3.359  -9.267
  347    H    PHE  63           H        PHE  63  -2.303   4.366  -6.078
  348    HA   PHE  63           HA       PHE  63  -1.367   1.729  -5.350
  349    HB2  PHE  63           1HB      PHE  63   0.904   1.883  -5.759
  350    HB3  PHE  63           2HB      PHE  63   0.229   2.563  -7.219
  351    HD1  PHE  63           2HD      PHE  63   0.141   5.149  -7.418
  352    HD2  PHE  63           1HD      PHE  63   2.333   3.105  -4.319
  353    HE1  PHE  63           2HE      PHE  63   1.386   7.227  -6.917
  354    HE2  PHE  63           1HE      PHE  63   3.623   5.169  -3.877
  355    HZ   PHE  63           HZ       PHE  63   3.131   7.242  -5.122
  356    H    GLY  64           H        GLY  64  -0.056   1.614  -3.474
  357    HA2  GLY  64           1HA      GLY  64   0.332   3.942  -1.723
  358    HA3  GLY  64           2HA      GLY  64  -0.864   2.792  -1.152
  359    H    PHE  65           H        PHE  65   0.436   2.374   0.660
  360    HA   PHE  65           HA       PHE  65   2.527   0.320   0.282
  361    HB2  PHE  65           1HB      PHE  65   2.939   2.949   1.750
  362    HB3  PHE  65           2HB      PHE  65   3.886   1.527   2.092
  363    HD1  PHE  65           2HD      PHE  65   3.171   4.123  -0.494
  364    HD2  PHE  65           1HD      PHE  65   5.669   0.798   0.691
  365    HE1  PHE  65           2HE      PHE  65   4.877   4.796  -2.146
  366    HE2  PHE  65           1HE      PHE  65   7.374   1.500  -0.956
  367    HZ   PHE  65           HZ       PHE  65   6.982   3.522  -2.373
  368    H    VAL  66           H        VAL  66   2.785  -1.036   2.080
  369    HA   VAL  66           HA       VAL  66   1.227  -0.475   4.555
  370    HB   VAL  66           HB       VAL  66   0.959  -3.093   3.017
  371   HG11  VAL  66          1HG1      VAL  66   1.111  -3.615   5.411
  372   HG12  VAL  66          2HG1      VAL  66  -0.046  -2.326   5.796
  373   HG13  VAL  66          3HG1      VAL  66  -0.567  -3.761   4.895
  374   HG21  VAL  66          3HG2      VAL  66  -1.476  -2.536   3.085
  375   HG22  VAL  66          1HG2      VAL  66  -1.083  -0.964   3.803
  376   HG23  VAL  66          2HG2      VAL  66  -0.545  -1.350   2.172
  377    H    THR  67           H        THR  67   2.274  -0.910   6.296
  378    HA   THR  67           HA       THR  67   4.821  -2.482   6.298
  379    HB   THR  67           HB       THR  67   3.999  -0.330   8.278
  380    HG1  THR  67           1HG      THR  67   5.049   1.128   6.982
  381   HG21  THR  67          3HG2      THR  67   6.397  -0.238   8.769
  382   HG22  THR  67          1HG2      THR  67   5.837  -1.911   8.965
  383   HG23  THR  67          2HG2      THR  67   6.733  -1.449   7.514
  384    H    PHE  68           H        PHE  68   5.020  -4.035   7.918
  385    HA   PHE  68           HA       PHE  68   2.524  -4.693   9.451
  386    HB2  PHE  68           1HB      PHE  68   4.629  -6.493   8.214
  387    HB3  PHE  68           2HB      PHE  68   3.366  -7.044   9.304
  388    HD1  PHE  68           1HD      PHE  68   4.018  -5.670   5.914
  389    HD2  PHE  68           2HD      PHE  68   1.067  -7.293   8.607
  390    HE1  PHE  68           1HE      PHE  68   2.473  -6.035   4.003
  391    HE2  PHE  68           2HE      PHE  68  -0.483  -7.634   6.700
  392    HZ   PHE  68           HZ       PHE  68   0.226  -7.016   4.395
  393    H    MET  69           H        MET  69   2.693  -5.570  11.518
  394    HA   MET  69           HA       MET  69   4.846  -4.625  13.209
  395    HB2  MET  69           1HB      MET  69   2.570  -6.585  13.703
  396    HB3  MET  69           2HB      MET  69   3.654  -5.982  14.958
  397    HG2  MET  69           1HG      MET  69   1.813  -4.244  13.269
  398    HG3  MET  69           2HG      MET  69   1.511  -4.795  14.911
  399    HE1  MET  69           3HE      MET  69   1.972  -1.092  15.667
  400    HE2  MET  69           1HE      MET  69   1.018  -1.968  14.448
  401    HE3  MET  69           2HE      MET  69   1.119  -2.586  16.107
  402    H    ASP  70           H        ASP  70   4.606  -7.430  11.266
  403    HA   ASP  70           HA       ASP  70   7.233  -8.331  12.117
  404    HB2  ASP  70           1HB      ASP  70   5.556  -9.558  13.640
  405    HB3  ASP  70           2HB      ASP  70   4.979 -10.363  12.174
  406    H    GLN  71           H        GLN  71   8.180  -9.785  10.590
  407    HA   GLN  71           HA       GLN  71   7.558  -9.256   7.851
  408    HB2  GLN  71           1HB      GLN  71   9.804  -9.773   8.888
  409    HB3  GLN  71           2HB      GLN  71   9.267 -11.428   9.123
  410    HG2  GLN  71           1HG      GLN  71  10.705 -11.279   7.160
  411    HG3  GLN  71           2HG      GLN  71   9.088 -11.733   6.661
  412   HE21  GLN  71          2HE2      GLN  71  10.214 -10.981   4.524
  413   HE22  GLN  71          1HE2      GLN  71  10.008  -9.281   4.137
  414    H    ALA  72           H        ALA  72   6.489 -11.816  10.035
  415    HA   ALA  72           HA       ALA  72   5.831 -13.810   8.160
  416    HB1  ALA  72           1HB      ALA  72   5.887 -14.119  10.616
  417    HB2  ALA  72           2HB      ALA  72   4.425 -13.109  10.771
  418    HB3  ALA  72           3HB      ALA  72   4.349 -14.667   9.918
  419    H    GLY  73           H        GLY  73   4.119 -10.769   8.643
  420    HA2  GLY  73           1HA      GLY  73   1.820 -11.758   7.032
  421    HA3  GLY  73           2HA      GLY  73   1.987 -10.135   7.715
  422    H    VAL  74           H        VAL  74   4.852 -10.150   6.511
  423    HA   VAL  74           HA       VAL  74   4.201  -9.091   3.847
  424    HB   VAL  74           HB       VAL  74   6.872  -9.642   5.202
  425   HG11  VAL  74          1HG1      VAL  74   7.249  -9.860   2.821
  426   HG12  VAL  74          2HG1      VAL  74   6.371  -8.353   2.499
  427   HG13  VAL  74          3HG1      VAL  74   7.909  -8.321   3.378
  428   HG21  VAL  74          3HG2      VAL  74   7.061  -7.193   5.330
  429   HG22  VAL  74          1HG2      VAL  74   5.459  -7.023   4.589
  430   HG23  VAL  74          2HG2      VAL  74   5.639  -7.754   6.204
  431    H    ASP  75           H        ASP  75   5.799 -11.982   5.256
  432    HA   ASP  75           HA       ASP  75   6.474 -13.440   3.008
  433    HB2  ASP  75           1HB      ASP  75   6.921 -13.983   5.428
  434    HB3  ASP  75           2HB      ASP  75   5.260 -14.520   5.588
  435    H    LYS  76           H        LYS  76   3.269 -13.549   4.656
  436    HA   LYS  76           HA       LYS  76   2.105 -15.464   2.894
  437    HB2  LYS  76           1HB      LYS  76   0.809 -13.276   4.571
  438    HB3  LYS  76           2HB      LYS  76  -0.049 -14.631   3.798
  439    HG2  LYS  76           1HG      LYS  76   1.195 -16.249   5.160
  440    HG3  LYS  76           2HG      LYS  76   2.085 -14.926   5.929
  441    HD2  LYS  76           1HD      LYS  76  -0.269 -13.947   6.521
  442    HD3  LYS  76           2HD      LYS  76  -0.911 -15.510   6.011
  443    HE2  LYS  76           1HE      LYS  76  -0.724 -15.771   8.310
  444    HE3  LYS  76           2HE      LYS  76   0.759 -16.536   7.717
  445    HZ1  LYS  76           3HZ      LYS  76   1.195 -15.015   9.574
  446    HZ2  LYS  76           1HZ      LYS  76   1.921 -14.440   8.213
  447    HZ3  LYS  76           2HZ      LYS  76   0.533 -13.755   8.750
  448    H    VAL  77           H        VAL  77   2.269 -11.941   2.609
  449    HA   VAL  77           HA       VAL  77   0.368 -11.781   0.416
  450    HB   VAL  77           HB       VAL  77   2.452  -9.789   1.332
  451   HG11  VAL  77          1HG1      VAL  77   1.832  -9.239  -0.996
  452   HG12  VAL  77          2HG1      VAL  77   0.108  -9.361  -0.581
  453   HG13  VAL  77          3HG1      VAL  77   1.113  -8.072   0.112
  454   HG21  VAL  77          3HG2      VAL  77   0.553  -8.643   2.415
  455   HG22  VAL  77          1HG2      VAL  77  -0.588  -9.830   1.746
  456   HG23  VAL  77          2HG2      VAL  77   0.577 -10.319   2.977
  457    H    LEU  78           H        LEU  78   3.899 -12.269   0.575
  458    HA   LEU  78           HA       LEU  78   4.291 -12.102  -2.319
  459    HB2  LEU  78           1HB      LEU  78   5.940 -13.430  -0.135
  460    HB3  LEU  78           2HB      LEU  78   6.503 -13.037  -1.755
  461    HG   LEU  78           HG       LEU  78   5.578 -10.921   0.245
  462   HD11  LEU  78          1HD1      LEU  78   7.394 -12.221   1.160
  463   HD12  LEU  78          2HD1      LEU  78   8.339 -12.049  -0.336
  464   HD13  LEU  78          3HD1      LEU  78   8.008 -10.618   0.679
  465   HD21  LEU  78          3HD2      LEU  78   6.881  -9.394  -1.199
  466   HD22  LEU  78          1HD2      LEU  78   7.160 -10.722  -2.348
  467   HD23  LEU  78          2HD2      LEU  78   5.507 -10.120  -2.043
  468    H    ALA  79           H        ALA  79   3.799 -14.711   0.052
  469    HA   ALA  79           HA       ALA  79   4.215 -16.845  -1.751
  470    HB1  ALA  79           1HB      ALA  79   4.412 -17.012   0.703
  471    HB2  ALA  79           2HB      ALA  79   2.655 -16.785   0.870
  472    HB3  ALA  79           3HB      ALA  79   3.295 -18.235   0.073
  473    H    GLN  80           H        GLN  80   1.343 -14.905  -1.311
  474    HA   GLN  80           HA       GLN  80  -0.442 -16.843  -2.653
  475    HB2  GLN  80           1HB      GLN  80  -1.243 -15.613  -0.707
  476    HB3  GLN  80           2HB      GLN  80  -0.920 -14.068  -1.497
  477    HG2  GLN  80           1HG      GLN  80  -2.614 -14.511  -3.190
  478    HG3  GLN  80           2HG      GLN  80  -2.849 -16.160  -2.605
  479   HE21  GLN  80          2HE2      GLN  80  -4.505 -13.404  -2.718
  480   HE22  GLN  80          1HE2      GLN  80  -5.329 -13.496  -1.158
  481    H    SER  81           H        SER  81  -1.137 -16.703  -4.756
  482    HA   SER  81           HA       SER  81   0.588 -15.241  -6.536
  483    HB2  SER  81           1HB      SER  81  -1.804 -16.979  -7.216
  484    HB3  SER  81           2HB      SER  81  -0.432 -16.593  -8.260
  485    HG   SER  81           HG       SER  81   0.913 -17.823  -6.884
  486    H    ARG  82           H        ARG  82  -2.455 -14.271  -5.289
  487    HA   ARG  82           HA       ARG  82  -2.698 -12.046  -7.140
  488    HB2  ARG  82           1HB      ARG  82  -3.672 -13.960  -8.461
  489    HB3  ARG  82           2HB      ARG  82  -4.898 -14.160  -7.206
  490    HG2  ARG  82           1HG      ARG  82  -5.777 -11.902  -7.676
  491    HG3  ARG  82           2HG      ARG  82  -4.447 -11.601  -8.814
  492    HD2  ARG  82           1HD      ARG  82  -5.272 -13.444 -10.247
  493    HD3  ARG  82           2HD      ARG  82  -6.607 -13.729  -9.109
  494    HE   ARG  82           HE       ARG  82  -6.735 -11.009  -9.804
  495   HH11  ARG  82          1HH1      ARG  82  -7.120 -14.078 -11.532
  496   HH12  ARG  82          2HH1      ARG  82  -8.142 -13.361 -12.741
  497   HH21  ARG  82          1HH2      ARG  82  -8.004 -10.159 -11.374
  498   HH22  ARG  82          2HH2      ARG  82  -8.655 -11.159 -12.650
  499    H    HIS  83           H        HIS  83  -4.116 -10.450  -6.440
  500    HA   HIS  83           HA       HIS  83  -5.652 -10.789  -3.924
  501    HB2  HIS  83           1HB      HIS  83  -3.426  -8.769  -4.433
  502    HB3  HIS  83           2HB      HIS  83  -4.523  -8.692  -3.060
  503    HD1  HIS  83           1HD      HIS  83  -3.852 -10.317  -0.975
  504    HD2  HIS  83           2HD      HIS  83  -1.512 -10.654  -4.453
  505    HE1  HIS  83           1HE      HIS  83  -1.867 -11.771  -0.362
  506    H    GLU  84           H        GLU  84  -7.305  -9.097  -3.670
  507    HA   GLU  84           HA       GLU  84  -7.753  -7.228  -5.916
  508    HB2  GLU  84           1HB      GLU  84  -8.654  -9.499  -6.607
  509    HB3  GLU  84           2HB      GLU  84  -9.775  -9.397  -5.245
  510    HG2  GLU  84           1HG      GLU  84 -10.582  -7.171  -6.262
  511    HG3  GLU  84           2HG      GLU  84  -9.611  -7.579  -7.680
  512    H    LEU  85           H        LEU  85  -8.607  -5.407  -5.191
  513    HA   LEU  85           HA       LEU  85 -10.259  -5.317  -2.728
  514    HB2  LEU  85           1HB      LEU  85  -7.981  -5.068  -1.924
  515    HB3  LEU  85           2HB      LEU  85  -7.621  -3.872  -3.177
  516    HG   LEU  85           HG       LEU  85  -9.187  -2.270  -2.107
  517   HD11  LEU  85          1HD1      LEU  85 -10.808  -3.700  -1.013
  518   HD12  LEU  85          2HD1      LEU  85  -9.546  -4.503  -0.063
  519   HD13  LEU  85          3HD1      LEU  85  -9.956  -2.808   0.259
  520   HD21  LEU  85          3HD2      LEU  85  -7.794  -1.825  -0.119
  521   HD22  LEU  85          1HD2      LEU  85  -7.091  -3.453  -0.234
  522   HD23  LEU  85          2HD2      LEU  85  -6.800  -2.263  -1.521
  523    H    ASP  86           H        ASP  86 -11.939  -4.057  -3.022
  524    HA   ASP  86           HA       ASP  86 -13.516  -2.808  -4.008
  525    HB2  ASP  86           1HB      ASP  86 -11.970  -1.026  -3.160
  526    HB3  ASP  86           2HB      ASP  86 -11.295  -0.890  -4.782
  527    H    SER  87           H        SER  87 -12.836  -4.936  -5.494
  528    HA   SER  87           HA       SER  87 -13.187  -5.943  -7.493
  529    HB2  SER  87           1HB      SER  87 -14.420  -3.313  -8.374
  530    HB3  SER  87           2HB      SER  87 -14.632  -4.896  -9.128
  531    HG   SER  87           HG       SER  87 -16.370  -4.361  -7.702
  532    H    LYS  88           H        LYS  88 -10.633  -4.348  -7.102
  533    HA   LYS  88           HA       LYS  88  -9.683  -4.365  -9.943
  534    HB2  LYS  88           1HB      LYS  88  -9.436  -2.299  -7.768
  535    HB3  LYS  88           2HB      LYS  88  -7.986  -2.608  -8.703
  536    HG2  LYS  88           1HG      LYS  88 -10.580  -2.151 -10.190
  537    HG3  LYS  88           2HG      LYS  88  -9.746  -0.772  -9.465
  538    HD2  LYS  88           1HD      LYS  88  -7.792  -1.068 -10.748
  539    HD3  LYS  88           2HD      LYS  88  -8.236  -2.706 -11.258
  540    HE2  LYS  88           1HE      LYS  88  -9.922  -1.951 -12.733
  541    HE3  LYS  88           2HE      LYS  88  -9.978  -0.342 -12.025
  542    HZ1  LYS  88           3HZ      LYS  88  -8.742  -0.411 -14.164
  543    HZ2  LYS  88           1HZ      LYS  88  -7.758   0.090 -12.959
  544    HZ3  LYS  88           2HZ      LYS  88  -7.629  -1.423 -13.512
  545    H    THR  89           H        THR  89  -8.044  -5.718 -10.300
  546    HA   THR  89           HA       THR  89  -6.968  -7.423  -8.175
  547    HB   THR  89           HB       THR  89  -6.264  -7.183 -11.128
  548    HG1  THR  89           1HG      THR  89  -8.364  -7.993 -10.499
  549   HG21  THR  89          3HG2      THR  89  -5.185  -9.405 -10.802
  550   HG22  THR  89          1HG2      THR  89  -4.339  -8.134  -9.912
  551   HG23  THR  89          2HG2      THR  89  -5.415  -9.249  -9.043
  552    H    ILE  90           H        ILE  90  -5.289  -6.960  -6.930
  553    HA   ILE  90           HA       ILE  90  -3.670  -4.530  -7.580
  554    HB   ILE  90           HB       ILE  90  -3.260  -4.218  -5.269
  555   HG12  ILE  90          1HG1      ILE  90  -4.825  -6.727  -4.630
  556   HG13  ILE  90          2HG1      ILE  90  -3.062  -6.553  -4.553
  557   HG21  ILE  90          1HG2      ILE  90  -5.450  -3.414  -6.249
  558   HG22  ILE  90          2HG2      ILE  90  -6.230  -4.861  -5.575
  559   HG23  ILE  90          3HG2      ILE  90  -5.520  -3.668  -4.501
  560   HD11  ILE  90          3HD1      ILE  90  -3.839  -6.298  -2.339
  561   HD12  ILE  90          1HD1      ILE  90  -3.386  -4.674  -2.901
  562   HD13  ILE  90          2HD1      ILE  90  -5.100  -5.147  -2.815
  563    H    ASP  91           H        ASP  91  -1.452  -4.490  -6.971
  564    HA   ASP  91           HA       ASP  91  -0.033  -7.107  -7.326
  565    HB2  ASP  91           1HB      ASP  91  -0.300  -5.975  -9.473
  566    HB3  ASP  91           2HB      ASP  91   0.400  -4.501  -8.802
  567    HA   PRO  92           HA       PRO  92   1.910  -4.810  -3.898
  568    HB2  PRO  92           1HB      PRO  92   1.804  -6.833  -1.996
  569    HB3  PRO  92           2HB      PRO  92   0.592  -5.553  -2.238
  570    HG2  PRO  92           1HG      PRO  92   0.322  -8.411  -2.872
  571    HG3  PRO  92           2HG      PRO  92  -0.927  -7.123  -2.818
  572    HD2  PRO  92           1HD      PRO  92   0.434  -8.258  -5.128
  573    HD3  PRO  92           2HD      PRO  92  -0.940  -7.135  -5.059
  574    H    LYS  93           H        LYS  93   3.989  -4.844  -3.238
  575    HA   LYS  93           HA       LYS  93   5.856  -6.979  -4.186
  576    HB2  LYS  93           1HB      LYS  93   6.083  -3.984  -4.732
  577    HB3  LYS  93           2HB      LYS  93   7.195  -5.234  -5.298
  578    HG2  LYS  93           1HG      LYS  93   5.401  -6.119  -6.783
  579    HG3  LYS  93           2HG      LYS  93   4.315  -4.852  -6.174
  580    HD2  LYS  93           1HD      LYS  93   6.208  -3.181  -6.883
  581    HD3  LYS  93           2HD      LYS  93   6.801  -4.529  -7.884
  582    HE2  LYS  93           1HE      LYS  93   4.586  -4.694  -8.960
  583    HE3  LYS  93           2HE      LYS  93   3.947  -3.485  -7.843
  584    HZ1  LYS  93           3HZ      LYS  93   4.416  -2.402  -9.871
  585    HZ2  LYS  93           1HZ      LYS  93   5.563  -1.889  -8.831
  586    HZ3  LYS  93           2HZ      LYS  93   5.946  -3.003  -9.977
  587    H    VAL  94           H        VAL  94   8.060  -6.703  -3.266
  588    HA   VAL  94           HA       VAL  94   8.149  -5.771  -0.512
  589    HB   VAL  94           HB       VAL  94  10.446  -6.459  -2.393
  590   HG11  VAL  94          1HG1      VAL  94  11.286  -5.059  -0.555
  591   HG12  VAL  94          2HG1      VAL  94  10.417  -6.055   0.637
  592   HG13  VAL  94          3HG1      VAL  94  11.775  -6.732  -0.288
  593   HG21  VAL  94          3HG2      VAL  94  10.509  -8.596  -1.105
  594   HG22  VAL  94          1HG2      VAL  94   9.039  -8.104  -0.237
  595   HG23  VAL  94          2HG2      VAL  94   8.997  -8.403  -1.989
  596    H    ALA  95           H        ALA  95   8.703  -3.797   0.299
  597    HA   ALA  95           HA       ALA  95   8.670  -1.536  -1.542
  598    HB1  ALA  95           1HB      ALA  95   7.407  -1.513   0.565
  599    HB2  ALA  95           2HB      ALA  95   8.914  -1.692   1.491
  600    HB3  ALA  95           3HB      ALA  95   8.612  -0.216   0.554
  601    H    PHE  96           H        PHE  96  10.263  -0.171  -2.114
  602    HA   PHE  96           HA       PHE  96  13.041  -0.664  -1.678
  603    HB2  PHE  96           1HB      PHE  96  11.635   1.924  -2.440
  604    HB3  PHE  96           2HB      PHE  96  13.339   1.598  -2.658
  605    HD1  PHE  96           1HD      PHE  96  12.625  -1.443  -3.724
  606    HD2  PHE  96           2HD      PHE  96  11.537   2.600  -4.788
  607    HE1  PHE  96           1HE      PHE  96  12.176  -2.167  -6.041
  608    HE2  PHE  96           2HE      PHE  96  11.092   1.862  -7.110
  609    HZ   PHE  96           HZ       PHE  96  11.402  -0.525  -7.742
  610    HA   PRO  97           HA       PRO  97  14.097   0.969   2.261
  611    HB2  PRO  97           1HB      PRO  97  16.057   2.802   0.862
  612    HB3  PRO  97           2HB      PRO  97  16.312   1.778   2.312
  613    HG2  PRO  97           1HG      PRO  97  17.177   0.914  -0.091
  614    HG3  PRO  97           2HG      PRO  97  16.295  -0.223   0.985
  615    HD2  PRO  97           1HD      PRO  97  15.233   1.345  -1.377
  616    HD3  PRO  97           2HD      PRO  97  14.978  -0.374  -0.949
  617    H    ARG  98           H        ARG  98  14.273   2.861   3.693
  618    HA   ARG  98           HA       ARG  98  12.750   5.233   2.787
  619    HB2  ARG  98           1HB      ARG  98  11.178   5.000   4.523
  620    HB3  ARG  98           2HB      ARG  98  11.219   3.470   3.654
  621    HG2  ARG  98           1HG      ARG  98  12.619   2.512   5.500
  622    HG3  ARG  98           2HG      ARG  98  12.493   4.047   6.373
  623    HD2  ARG  98           1HD      ARG  98  10.180   2.227   5.605
  624    HD3  ARG  98           2HD      ARG  98  10.887   2.395   7.220
  625    HE   ARG  98           HE       ARG  98  10.089   4.978   6.382
  626   HH11  ARG  98          1HH1      ARG  98   8.492   1.963   7.366
  627   HH12  ARG  98          2HH1      ARG  98   6.943   2.774   7.532
  628   HH21  ARG  98          1HH2      ARG  98   8.099   5.936   6.815
  629   HH22  ARG  98          2HH2      ARG  98   6.755   4.941   7.334
  630    H    ARG  99           H        ARG  99  12.653   6.982   4.343
  631    HA   ARG  99           HA       ARG  99  14.719   7.071   6.466
  632    HB2  ARG  99           1HB      ARG  99  15.744   8.014   4.437
  633    HB3  ARG  99           2HB      ARG  99  14.356   9.071   4.196
  634    HG2  ARG  99           1HG      ARG  99  16.168  10.351   5.096
  635    HG3  ARG  99           2HG      ARG  99  14.887  10.264   6.303
  636    HD2  ARG  99           1HD      ARG  99  16.152   8.517   7.532
  637    HD3  ARG  99           2HD      ARG  99  17.408   8.532   6.298
  638    HE   ARG  99           HE       ARG  99  16.940  10.504   8.430
  639   HH11  ARG  99          1HH1      ARG  99  18.678   9.977   5.387
  640   HH12  ARG  99          2HH1      ARG  99  19.855  11.202   5.757
  641   HH21  ARG  99          1HH2      ARG  99  18.469  12.044   8.839
  642   HH22  ARG  99          2HH2      ARG  99  19.742  12.355   7.685
  643    H    ALA 100           H        ALA 100  13.900   7.810   8.260
  644    HA   ALA 100           HA       ALA 100  11.986  10.004   8.452
  645    HB1  ALA 100           1HB      ALA 100  10.459   8.073   8.177
  646    HB2  ALA 100           2HB      ALA 100  11.292   7.209   9.490
  647    HB3  ALA 100           3HB      ALA 100  10.380   8.694   9.833
  648    H    GLN 101           H        GLN 101  12.259  11.099  10.417
  649    HA   GLN 101           HA       GLN 101  13.979  10.056  12.542
  650    HB2  GLN 101           1HB      GLN 101  15.575  10.554  10.760
  651    HB3  GLN 101           2HB      GLN 101  14.869  12.160  10.523
  652    HG2  GLN 101           1HG      GLN 101  15.641  12.814  12.785
  653    HG3  GLN 101           2HG      GLN 101  16.348  11.206  13.006
  654   HE21  GLN 101          2HE2      GLN 101  18.186  13.062  13.383
  655   HE22  GLN 101          1HE2      GLN 101  19.182  13.302  11.955
  656    HA   PRO 102           HA       PRO 102  11.561  13.358  14.509
  657    HB2  PRO 102           1HB      PRO 102  12.658  13.345  17.007
  658    HB3  PRO 102           2HB      PRO 102  11.593  12.035  16.410
  659    HG2  PRO 102           1HG      PRO 102  14.626  12.079  16.486
  660    HG3  PRO 102           2HG      PRO 102  13.521  10.773  17.020
  661    HD2  PRO 102           1HD      PRO 102  14.724  10.775  14.556
  662    HD3  PRO 102           2HD      PRO 102  13.085  10.108  14.808
  663    H    LYS 103           H        LYS 103  11.818  15.506  14.403
  664    HA   LYS 103           HA       LYS 103  14.429  16.857  14.773
  665    HB2  LYS 103           1HB      LYS 103  12.805  16.973  12.194
  666    HB3  LYS 103           2HB      LYS 103  14.121  18.070  12.615
  667    HG2  LYS 103           1HG      LYS 103  15.692  16.120  12.718
  668    HG3  LYS 103           2HG      LYS 103  14.374  15.068  12.158
  669    HD2  LYS 103           1HD      LYS 103  14.159  16.420  10.094
  670    HD3  LYS 103           2HD      LYS 103  15.489  17.465  10.643
  671    HE2  LYS 103           1HE      LYS 103  17.001  15.482  10.702
  672    HE3  LYS 103           2HE      LYS 103  15.677  14.461  10.123
  673    HZ1  LYS 103           3HZ      LYS 103  17.112  15.167   8.297
  674    HZ2  LYS 103           1HZ      LYS 103  15.624  15.805   8.086
  675    HZ3  LYS 103           2HZ      LYS 103  16.850  16.744   8.622
  676    H5'    G 104           H5'        G 104  -3.669  -0.735 -12.075
  677   H5''    G 104          H5"         G 104  -5.147  -0.223 -11.234
  678    H4'    G 104           H4'        G 104  -4.210   0.723 -13.983
  679    H3'    G 104           H3'        G 104  -3.221   1.574 -11.521
  680    H2'    G 104           H2'        G 104  -5.257   2.286 -10.619
  681   HO2'    G 104          HO2         G 104  -3.998   4.368 -12.005
  682    H1'    G 104           H1'        G 104  -6.049   3.421 -13.324
  683    H8     G 104           8H         G 104  -7.249   2.855  -9.868
  684    H1     G 104           1H         G 104 -12.072   2.866 -14.142
  685    H21    G 104           1H2        G 104 -11.194   2.731 -16.216
  686    H22    G 104           2H2        G 104  -9.453   2.626 -16.413
  687   HO5'    G 104          H5T         G 104  -5.243  -2.283 -12.479
  688    H5'    U 105           H5'        U 105  -1.713   3.117 -10.723
  689   H5''    U 105          H5"         U 105  -0.548   4.122 -11.586
  690    H4'    U 105           H4'        U 105   0.304   3.363  -9.409
  691    H3'    U 105           H3'        U 105   1.761   3.411 -11.728
  692    H2'    U 105           H2'        U 105   1.403   1.145 -12.285
  693   HO2'    U 105          HO2         U 105   3.864   1.625 -11.393
  694    H1'    U 105           H1'        U 105   1.891   0.382  -9.410
  695    H3     U 105           3H         U 105   1.673  -3.954 -10.760
  696    H5     U 105           5H         U 105  -1.667  -2.235 -12.615
  697    H6     U 105           6H         U 105  -1.005  -0.066 -11.709
  698    H5'    A 106           H5'        A 106   3.627   4.324  -7.342
  699   H5''    A 106          H5"         A 106   3.879   5.794  -8.279
  700    H4'    A 106           H4'        A 106   5.019   6.095  -6.242
  701    H3'    A 106           H3'        A 106   6.396   6.364  -8.609
  702    H2'    A 106           H2'        A 106   7.319   4.186  -8.599
  703   HO2'    A 106          HO2         A 106   9.097   6.015  -7.412
  704    H1'    A 106           H1'        A 106   7.930   4.461  -5.653
  705    H8     A 106           8H         A 106   6.910   1.953  -8.460
  706    H61    A 106           1H6        A 106   8.933  -2.242  -4.226
  707    H62    A 106           2H6        A 106   8.379  -2.110  -5.898
  708    H2     A 106           2H         A 106   9.111   1.646  -2.419
  709    H5'    G 107           H5'        G 107   7.929   8.571  -4.100
  710   H5''    G 107          H5"         G 107   7.421   6.886  -3.947
  711    H4'    G 107           H4'        G 107   5.743   8.981  -2.574
  712    H3'    G 107           H3'        G 107   8.486   8.087  -1.642
  713    H2'    G 107           H2'        G 107   7.690   8.340   0.543
  714   HO2'    G 107          HO2         G 107   6.614  10.464   0.018
  715    H1'    G 107           H1'        G 107   5.016   7.615  -0.127
  716    H8     G 107           8H         G 107   4.631   5.848   1.537
  717    H1     G 107           1H         G 107  10.661   3.600   1.251
  718    H21    G 107           1H2        G 107  11.803   4.762  -0.214
  719    H22    G 107           2H2        G 107  11.015   5.982  -1.217
  720    H5'    U 108           H5'        U 108  10.440  11.590   1.496
  721   H5''    U 108          H5"         U 108  11.429  10.391   0.656
  722    H4'    U 108           H4'        U 108  11.496   9.854   2.956
  723    H3'    U 108           H3'        U 108  10.294   7.947   1.136
  724   HO3'    U 108          H3T         U 108  12.317   7.620   2.046
  725    H2'    U 108           H2'        U 108   8.312   7.779   2.347
  726   HO2'    U 108          HO2         U 108  10.268   6.253   3.488
  727    H1'    U 108           H1'        U 108   9.779   8.597   4.856
  728    H3     U 108           3H         U 108   5.864   7.992   7.104
  729    H5     U 108           5H         U 108   4.652  10.046   3.666
  730    H6     U 108           6H         U 108   6.953   9.955   2.839
  Start of MODEL   13
    1    H    CYS  20           1H       CYS  20  10.501  -4.404   6.703
    2    HA   CYS  20           HA       CYS  20   9.054  -6.306   6.398
    3    HB2  CYS  20           1HB      CYS  20   7.816  -5.413   9.049
    4    HB3  CYS  20           2HB      CYS  20   7.217  -6.698   8.022
    5    HG   CYS  20           HG       CYS  20   9.434  -8.163   8.106
    6    H    LYS  21           H        LYS  21   8.793  -4.669   4.603
    7    HA   LYS  21           HA       LYS  21   6.205  -3.269   4.816
    8    HB2  LYS  21           1HB      LYS  21   8.027  -1.731   5.690
    9    HB3  LYS  21           2HB      LYS  21   8.736  -1.735   4.078
   10    HG2  LYS  21           1HG      LYS  21   6.742  -0.690   3.133
   11    HG3  LYS  21           2HG      LYS  21   5.842  -0.941   4.634
   12    HD2  LYS  21           1HD      LYS  21   7.365   0.628   5.811
   13    HD3  LYS  21           2HD      LYS  21   8.239   0.904   4.285
   14    HE2  LYS  21           1HE      LYS  21   6.182   1.742   3.227
   15    HE3  LYS  21           2HE      LYS  21   5.242   1.376   4.688
   16    HZ1  LYS  21           3HZ      LYS  21   5.960   3.738   4.416
   17    HZ2  LYS  21           1HZ      LYS  21   6.389   3.088   5.864
   18    HZ3  LYS  21           2HZ      LYS  21   7.499   3.274   4.630
   19    H    MET  22           H        MET  22   5.190  -2.744   2.957
   20    HA   MET  22           HA       MET  22   6.291  -3.777   0.387
   21    HB2  MET  22           1HB      MET  22   3.560  -4.412   1.586
   22    HB3  MET  22           2HB      MET  22   4.145  -4.902  -0.009
   23    HG2  MET  22           1HG      MET  22   6.075  -6.084   1.183
   24    HG3  MET  22           2HG      MET  22   5.250  -5.726   2.698
   25    HE1  MET  22           3HE      MET  22   4.172  -8.799  -0.502
   26    HE2  MET  22           1HE      MET  22   4.031  -7.078  -0.919
   27    HE3  MET  22           2HE      MET  22   5.594  -7.748  -0.395
   28    H    PHE  23           H        PHE  23   5.785  -2.714  -1.348
   29    HA   PHE  23           HA       PHE  23   4.140  -0.240  -1.326
   30    HB2  PHE  23           1HB      PHE  23   6.238  -0.001  -2.458
   31    HB3  PHE  23           2HB      PHE  23   6.088  -1.561  -3.253
   32    HD1  PHE  23           2HD      PHE  23   4.485  -1.880  -5.147
   33    HD2  PHE  23           1HD      PHE  23   5.228   1.997  -3.428
   34    HE1  PHE  23           2HE      PHE  23   3.524  -0.811  -7.163
   35    HE2  PHE  23           1HE      PHE  23   4.282   3.050  -5.456
   36    HZ   PHE  23           HZ       PHE  23   3.423   1.672  -7.321
   37    H    ILE  24           H        ILE  24   2.146  -0.217  -2.286
   38    HA   ILE  24           HA       ILE  24   1.037  -2.856  -3.213
   39    HB   ILE  24           HB       ILE  24  -0.569  -0.669  -1.872
   40   HG12  ILE  24          1HG1      ILE  24   1.037  -1.227  -0.176
   41   HG13  ILE  24          2HG1      ILE  24  -0.552  -1.834   0.217
   42   HG21  ILE  24          1HG2      ILE  24  -1.754  -2.349  -3.239
   43   HG22  ILE  24          2HG2      ILE  24  -1.054  -3.654  -2.276
   44   HG23  ILE  24          3HG2      ILE  24  -2.163  -2.495  -1.520
   45   HD11  ILE  24          3HD1      ILE  24   1.277  -3.394   0.838
   46   HD12  ILE  24          1HD1      ILE  24   0.138  -4.129  -0.293
   47   HD13  ILE  24          2HD1      ILE  24   1.723  -3.562  -0.862
   48    H    GLY  25           H        GLY  25   1.198  -2.617  -5.416
   49    HA2  GLY  25           1HA      GLY  25   0.339  -0.104  -6.735
   50    HA3  GLY  25           2HA      GLY  25   1.083  -1.528  -7.490
   51    H    GLY  26           H        GLY  26  -1.084  -0.205  -8.619
   52    HA2  GLY  26           1HA      GLY  26  -2.876  -0.917  -9.895
   53    HA3  GLY  26           2HA      GLY  26  -2.742  -2.524  -9.152
   54    H    LEU  27           H        LEU  27  -3.189   0.155  -6.975
   55    HA   LEU  27           HA       LEU  27  -5.654  -0.891  -5.896
   56    HB2  LEU  27           1HB      LEU  27  -4.389   1.866  -5.578
   57    HB3  LEU  27           2HB      LEU  27  -5.701   1.229  -4.612
   58    HG   LEU  27           HG       LEU  27  -2.835   0.222  -4.613
   59   HD11  LEU  27          1HD1      LEU  27  -3.366   2.376  -3.422
   60   HD12  LEU  27          2HD1      LEU  27  -4.566   1.520  -2.456
   61   HD13  LEU  27          3HD1      LEU  27  -2.847   1.084  -2.321
   62   HD21  LEU  27          3HD2      LEU  27  -3.736  -1.180  -2.639
   63   HD22  LEU  27          1HD2      LEU  27  -5.329  -0.970  -3.388
   64   HD23  LEU  27          2HD2      LEU  27  -4.002  -1.743  -4.289
   65    H    SER  28           H        SER  28  -7.629   0.441  -5.617
   66    HA   SER  28           HA       SER  28  -8.649   1.454  -8.209
   67    HB2  SER  28           1HB      SER  28  -9.965  -0.011  -6.529
   68    HB3  SER  28           2HB      SER  28 -10.057   1.432  -5.523
   69    HG   SER  28           HG       SER  28 -11.861   1.265  -6.834
   70    H    TRP  29           H        TRP  29  -9.338   3.654  -8.492
   71    HA   TRP  29           HA       TRP  29  -8.031   5.732  -7.010
   72    HB2  TRP  29           1HB      TRP  29 -10.419   5.725  -8.858
   73    HB3  TRP  29           2HB      TRP  29  -9.744   7.189  -8.147
   74    HD1  TRP  29           HD       TRP  29  -6.713   5.486  -8.818
   75    HE1  TRP  29           1HE      TRP  29  -5.737   5.961 -11.107
   76    HE3  TRP  29           3HE      TRP  29 -10.884   7.436 -11.070
   77    HZ2  TRP  29           2HZ      TRP  29  -6.602   7.160 -13.603
   78    HZ3  TRP  29           3HZ      TRP  29 -10.781   8.200 -13.428
   79    HH2  TRP  29           HH       TRP  29  -8.652   8.071 -14.702
   80    H    GLN  30           H        GLN  30 -10.751   3.847  -6.137
   81    HA   GLN  30           HA       GLN  30 -11.615   5.802  -4.051
   82    HB2  GLN  30           1HB      GLN  30 -12.930   3.212  -4.948
   83    HB3  GLN  30           2HB      GLN  30 -13.604   4.404  -3.844
   84    HG2  GLN  30           1HG      GLN  30 -13.092   4.762  -6.824
   85    HG3  GLN  30           2HG      GLN  30 -14.650   4.608  -6.033
   86   HE21  GLN  30          2HE2      GLN  30 -13.549   6.852  -7.747
   87   HE22  GLN  30          1HE2      GLN  30 -13.706   8.273  -6.726
   88    H    THR  31           H        THR  31  -9.285   3.400  -4.200
   89    HA   THR  31           HA       THR  31  -9.835   2.037  -1.688
   90    HB   THR  31           HB       THR  31  -7.208   2.358  -3.200
   91    HG1  THR  31           1HG      THR  31  -9.144   0.270  -3.210
   92   HG21  THR  31          3HG2      THR  31  -6.683   0.178  -2.012
   93   HG22  THR  31          1HG2      THR  31  -6.743   1.585  -0.949
   94   HG23  THR  31          2HG2      THR  31  -8.108   0.444  -0.995
   95    H    THR  32           H        THR  32  -9.145   2.517   0.334
   96    HA   THR  32           HA       THR  32  -7.598   5.028   0.826
   97    HB   THR  32           HB       THR  32  -8.844   5.320   2.894
   98    HG1  THR  32           1HG      THR  32 -10.692   3.913   3.208
   99   HG21  THR  32          3HG2      THR  32 -11.015   5.950   2.045
  100   HG22  THR  32          1HG2      THR  32  -9.808   6.302   0.796
  101   HG23  THR  32          2HG2      THR  32 -10.853   4.872   0.643
  102    H    GLN  33           H        GLN  33  -6.360   4.992   2.848
  103    HA   GLN  33           HA       GLN  33  -4.845   2.548   3.135
  104    HB2  GLN  33           1HB      GLN  33  -3.620   3.801   4.898
  105    HB3  GLN  33           2HB      GLN  33  -3.697   4.529   3.303
  106    HG2  GLN  33           1HG      GLN  33  -5.530   6.063   4.145
  107    HG3  GLN  33           2HG      GLN  33  -5.195   5.442   5.768
  108   HE21  GLN  33          2HE2      GLN  33  -3.898   6.989   6.859
  109   HE22  GLN  33          1HE2      GLN  33  -2.614   7.894   6.075
  110    H    GLU  34           H        GLU  34  -7.646   3.722   4.827
  111    HA   GLU  34           HA       GLU  34  -7.460   1.775   7.008
  112    HB2  GLU  34           1HB      GLU  34  -9.829   3.312   5.859
  113    HB3  GLU  34           2HB      GLU  34  -9.890   2.263   7.283
  114    HG2  GLU  34           1HG      GLU  34  -8.179   3.687   8.403
  115    HG3  GLU  34           2HG      GLU  34  -8.176   4.771   7.009
  116    H    GLY  35           H        GLY  35  -8.846   1.856   3.702
  117    HA2  GLY  35           1HA      GLY  35 -10.041  -0.769   3.749
  118    HA3  GLY  35           2HA      GLY  35  -9.594   0.185   2.315
  119    H    LEU  36           H        LEU  36  -6.748   0.413   2.885
  120    HA   LEU  36           HA       LEU  36  -5.731  -2.157   2.134
  121    HB2  LEU  36           1HB      LEU  36  -4.162   0.061   3.549
  122    HB3  LEU  36           2HB      LEU  36  -3.504  -1.319   2.704
  123    HG   LEU  36           HG       LEU  36  -4.898   1.064   1.463
  124   HD11  LEU  36          1HD1      LEU  36  -2.508   1.299   2.099
  125   HD12  LEU  36          2HD1      LEU  36  -2.114  -0.108   1.089
  126   HD13  LEU  36          3HD1      LEU  36  -2.747   1.367   0.341
  127   HD21  LEU  36          3HD2      LEU  36  -4.490  -0.029  -0.723
  128   HD22  LEU  36          1HD2      LEU  36  -4.069  -1.536   0.122
  129   HD23  LEU  36          2HD2      LEU  36  -5.710  -0.846   0.247
  130    H    ARG  37           H        ARG  37  -5.657  -0.596   5.405
  131    HA   ARG  37           HA       ARG  37  -4.631  -2.851   6.756
  132    HB2  ARG  37           1HB      ARG  37  -4.880  -0.635   7.769
  133    HB3  ARG  37           2HB      ARG  37  -6.641  -0.763   7.708
  134    HG2  ARG  37           1HG      ARG  37  -6.592  -2.663   9.293
  135    HG3  ARG  37           2HG      ARG  37  -4.821  -2.616   9.305
  136    HD2  ARG  37           1HD      ARG  37  -4.981  -0.231  10.116
  137    HD3  ARG  37           2HD      ARG  37  -6.729  -0.433  10.223
  138    HE   ARG  37           HE       ARG  37  -4.675  -1.503  12.023
  139   HH11  ARG  37          1HH1      ARG  37  -8.074  -1.869  11.091
  140   HH12  ARG  37          2HH1      ARG  37  -8.483  -2.665  12.581
  141   HH21  ARG  37          1HH2      ARG  37  -5.278  -2.532  13.912
  142   HH22  ARG  37          2HH2      ARG  37  -6.923  -3.035  14.148
  143    H    GLU  38           H        GLU  38  -8.019  -2.159   5.906
  144    HA   GLU  38           HA       GLU  38  -9.225  -4.317   7.200
  145    HB2  GLU  38           1HB      GLU  38 -10.145  -2.235   5.719
  146    HB3  GLU  38           2HB      GLU  38 -10.314  -3.511   4.511
  147    HG2  GLU  38           1HG      GLU  38 -11.582  -4.851   6.222
  148    HG3  GLU  38           2HG      GLU  38 -11.403  -3.494   7.345
  149    H    TYR  39           H        TYR  39  -7.595  -4.288   4.030
  150    HA   TYR  39           HA       TYR  39  -8.278  -7.097   3.445
  151    HB2  TYR  39           1HB      TYR  39  -8.221  -5.357   1.705
  152    HB3  TYR  39           2HB      TYR  39  -6.507  -5.091   2.004
  153    HD1  TYR  39           1HD      TYR  39  -8.990  -7.731   1.034
  154    HD2  TYR  39           2HD      TYR  39  -4.880  -6.441   0.892
  155    HE1  TYR  39           1HE      TYR  39  -8.442  -9.658  -0.430
  156    HE2  TYR  39           2HE      TYR  39  -4.325  -8.347  -0.588
  157    HH   TYR  39           HH       TYR  39  -6.802 -10.793  -1.539
  158    H    PHE  40           H        PHE  40  -5.406  -5.230   4.422
  159    HA   PHE  40           HA       PHE  40  -3.670  -7.532   4.183
  160    HB2  PHE  40           1HB      PHE  40  -3.249  -4.624   4.828
  161    HB3  PHE  40           2HB      PHE  40  -1.971  -5.770   5.087
  162    HD1  PHE  40           2HD      PHE  40  -1.512  -7.487   3.067
  163    HD2  PHE  40           1HD      PHE  40  -3.533  -3.711   2.602
  164    HE1  PHE  40           2HE      PHE  40  -1.100  -7.557   0.626
  165    HE2  PHE  40           1HE      PHE  40  -3.123  -3.788   0.171
  166    HZ   PHE  40           HZ       PHE  40  -1.903  -5.708  -0.831
  167    H    GLY  41           H        GLY  41  -5.500  -6.282   6.830
  168    HA2  GLY  41           1HA      GLY  41  -4.056  -7.463   8.998
  169    HA3  GLY  41           2HA      GLY  41  -5.795  -7.106   8.954
  170    H    GLN  42           H        GLN  42  -5.583  -9.060   6.398
  171    HA   GLN  42           HA       GLN  42  -6.393 -11.510   7.760
  172    HB2  GLN  42           1HB      GLN  42  -5.711 -10.993   4.829
  173    HB3  GLN  42           2HB      GLN  42  -6.543 -12.410   5.472
  174    HG2  GLN  42           1HG      GLN  42  -8.425 -10.959   6.223
  175    HG3  GLN  42           2HG      GLN  42  -7.603  -9.557   5.531
  176   HE21  GLN  42          2HE2      GLN  42  -7.140  -9.625   3.137
  177   HE22  GLN  42          1HE2      GLN  42  -8.284 -10.493   2.114
  178    H    PHE  43           H        PHE  43  -3.372 -10.270   6.464
  179    HA   PHE  43           HA       PHE  43  -2.129 -12.963   6.386
  180    HB2  PHE  43           1HB      PHE  43  -1.061 -10.274   5.446
  181    HB3  PHE  43           2HB      PHE  43  -0.372 -11.847   5.115
  182    HD1  PHE  43           1HD      PHE  43  -1.504 -13.416   3.512
  183    HD2  PHE  43           2HD      PHE  43  -3.020  -9.472   4.239
  184    HE1  PHE  43           1HE      PHE  43  -2.869 -13.574   1.457
  185    HE2  PHE  43           2HE      PHE  43  -4.394  -9.608   2.173
  186    HZ   PHE  43           HZ       PHE  43  -4.322 -11.675   0.779
  187    H    GLY  44           H        GLY  44  -1.784  -9.861   8.060
  188    HA2  GLY  44           1HA      GLY  44  -0.518 -10.989  10.385
  189    HA3  GLY  44           2HA      GLY  44   0.650 -10.105   9.418
  190    H    GLU  45           H        GLU  45   0.312  -9.049  11.831
  191    HA   GLU  45           HA       GLU  45  -1.886  -7.092  11.901
  192    HB2  GLU  45           1HB      GLU  45  -1.115  -8.218  13.942
  193    HB3  GLU  45           2HB      GLU  45   0.481  -7.474  13.776
  194    HG2  GLU  45           1HG      GLU  45  -0.465  -5.247  14.090
  195    HG3  GLU  45           2HG      GLU  45  -2.110  -5.878  13.982
  196    H    VAL  46           H        VAL  46  -1.773  -5.158  10.841
  197    HA   VAL  46           HA       VAL  46   0.732  -4.341   9.650
  198    HB   VAL  46           HB       VAL  46  -0.335  -2.748   8.410
  199   HG11  VAL  46          1HG1      VAL  46  -0.996  -5.066   7.790
  200   HG12  VAL  46          2HG1      VAL  46  -2.501  -4.853   8.722
  201   HG13  VAL  46          3HG1      VAL  46  -2.176  -3.831   7.312
  202   HG21  VAL  46          3HG2      VAL  46  -2.701  -2.012   8.756
  203   HG22  VAL  46          1HG2      VAL  46  -2.615  -2.709  10.386
  204   HG23  VAL  46          2HG2      VAL  46  -1.518  -1.380   9.889
  205    H    LYS  47           H        LYS  47   1.928  -2.535   9.992
  206    HA   LYS  47           HA       LYS  47   1.743  -1.231  12.676
  207    HB2  LYS  47           1HB      LYS  47   3.705  -2.595  12.139
  208    HB3  LYS  47           2HB      LYS  47   4.062  -1.631  10.725
  209    HG2  LYS  47           1HG      LYS  47   3.856  -0.183  13.363
  210    HG3  LYS  47           2HG      LYS  47   5.235  -1.256  13.146
  211    HD2  LYS  47           1HD      LYS  47   6.126  -0.048  11.345
  212    HD3  LYS  47           2HD      LYS  47   4.606   0.780  11.005
  213    HE2  LYS  47           1HE      LYS  47   4.770   2.030  13.131
  214    HE3  LYS  47           2HE      LYS  47   6.304   1.225  13.489
  215    HZ1  LYS  47           3HZ      LYS  47   6.638   3.417  12.497
  216    HZ2  LYS  47           1HZ      LYS  47   7.241   2.269  11.505
  217    HZ3  LYS  47           2HZ      LYS  47   5.827   3.013  11.137
  218    H    GLU  48           H        GLU  48   1.720  -0.492   9.265
  219    HA   GLU  48           HA       GLU  48   1.057   2.336   9.598
  220    HB2  GLU  48           1HB      GLU  48   3.320   2.569  10.162
  221    HB3  GLU  48           2HB      GLU  48   3.860   1.430   8.954
  222    HG2  GLU  48           1HG      GLU  48   3.396   3.105   7.173
  223    HG3  GLU  48           2HG      GLU  48   2.953   4.265   8.440
  224    H    CYS  49           H        CYS  49  -0.588   2.199   8.203
  225    HA   CYS  49           HA       CYS  49  -0.201   1.101   5.457
  226    HB2  CYS  49           1HB      CYS  49  -2.686   1.641   7.137
  227    HB3  CYS  49           2HB      CYS  49  -2.750   1.356   5.390
  228    HG   CYS  49           HG       CYS  49  -1.292  -0.569   7.642
  229    H    LEU  50           H        LEU  50  -0.427   2.483   3.673
  230    HA   LEU  50           HA       LEU  50  -1.174   5.340   4.088
  231    HB2  LEU  50           1HB      LEU  50   1.399   4.316   2.856
  232    HB3  LEU  50           2HB      LEU  50   0.821   5.956   2.664
  233    HG   LEU  50           HG       LEU  50   1.594   4.732   5.339
  234   HD11  LEU  50          1HD1      LEU  50   3.506   4.939   3.794
  235   HD12  LEU  50          2HD1      LEU  50   3.098   6.641   3.477
  236   HD13  LEU  50          3HD1      LEU  50   3.619   6.125   5.099
  237   HD21  LEU  50          3HD2      LEU  50   1.571   7.100   6.110
  238   HD22  LEU  50          1HD2      LEU  50   0.964   7.614   4.520
  239   HD23  LEU  50          2HD2      LEU  50  -0.037   6.594   5.577
  240    H    VAL  51           H        VAL  51  -2.056   6.332   2.331
  241    HA   VAL  51           HA       VAL  51  -1.808   5.071  -0.373
  242    HB   VAL  51           HB       VAL  51  -4.379   6.097   0.889
  243   HG11  VAL  51          1HG1      VAL  51  -4.269   7.146  -1.324
  244   HG12  VAL  51          2HG1      VAL  51  -3.807   5.597  -2.068
  245   HG13  VAL  51          3HG1      VAL  51  -5.425   5.819  -1.367
  246   HG21  VAL  51          3HG2      VAL  51  -5.261   3.920   0.073
  247   HG22  VAL  51          1HG2      VAL  51  -3.652   3.498  -0.544
  248   HG23  VAL  51          2HG2      VAL  51  -3.922   3.696   1.202
  249    H    MET  52           H        MET  52  -1.163   6.421  -1.868
  250    HA   MET  52           HA       MET  52  -0.322   9.122  -0.998
  251    HB2  MET  52           1HB      MET  52   0.487   7.275  -3.266
  252    HB3  MET  52           2HB      MET  52   1.185   8.883  -3.005
  253    HG2  MET  52           1HG      MET  52   1.279   6.702  -0.890
  254    HG3  MET  52           2HG      MET  52   2.527   6.968  -2.087
  255    HE1  MET  52           3HE      MET  52   2.080   9.051   1.846
  256    HE2  MET  52           1HE      MET  52   0.655   8.432   0.982
  257    HE3  MET  52           2HE      MET  52   2.002   7.338   1.382
  258    H    ARG  53           H        ARG  53  -2.996   9.198  -1.406
  259    HA   ARG  53           HA       ARG  53  -3.789   9.669  -4.084
  260    HB2  ARG  53           1HB      ARG  53  -5.906  10.370  -3.236
  261    HB3  ARG  53           2HB      ARG  53  -5.348   9.006  -2.273
  262    HG2  ARG  53           1HG      ARG  53  -4.690  10.553  -0.446
  263    HG3  ARG  53           2HG      ARG  53  -5.220  11.928  -1.435
  264    HD2  ARG  53           1HD      ARG  53  -7.527  10.885  -1.542
  265    HD3  ARG  53           2HD      ARG  53  -6.961   9.644  -0.428
  266    HE   ARG  53           HE       ARG  53  -7.140  11.106   1.329
  267   HH11  ARG  53          1HH1      ARG  53  -7.152  13.135  -1.583
  268   HH12  ARG  53          2HH1      ARG  53  -7.680  14.534  -0.693
  269   HH21  ARG  53          1HH2      ARG  53  -7.759  12.959   2.393
  270   HH22  ARG  53          2HH2      ARG  53  -7.978  14.444   1.523
  271    H    ASP  54           H        ASP  54  -4.507  11.501  -5.166
  272    HA   ASP  54           HA       ASP  54  -2.942  13.941  -4.852
  273    HB2  ASP  54           1HB      ASP  54  -3.515  12.912  -7.036
  274    HB3  ASP  54           2HB      ASP  54  -5.227  13.173  -6.707
  275    HA   PRO  55           HA       PRO  55  -6.126  15.640  -2.199
  276    HB2  PRO  55           1HB      PRO  55  -5.185  18.147  -1.725
  277    HB3  PRO  55           2HB      PRO  55  -4.306  16.687  -1.175
  278    HG2  PRO  55           1HG      PRO  55  -3.818  18.309  -3.700
  279    HG3  PRO  55           2HG      PRO  55  -2.617  17.795  -2.471
  280    HD2  PRO  55           1HD      PRO  55  -3.051  16.383  -4.779
  281    HD3  PRO  55           2HD      PRO  55  -2.640  15.573  -3.237
  282    H    LEU  56           H        LEU  56  -5.666  16.894  -5.438
  283    HA   LEU  56           HA       LEU  56  -7.909  18.813  -5.241
  284    HB2  LEU  56           1HB      LEU  56  -6.108  18.040  -7.576
  285    HB3  LEU  56           2HB      LEU  56  -7.238  19.369  -7.511
  286    HG   LEU  56           HG       LEU  56  -4.679  19.114  -5.873
  287   HD11  LEU  56          1HD1      LEU  56  -4.326  19.603  -8.264
  288   HD12  LEU  56          2HD1      LEU  56  -5.432  20.991  -8.154
  289   HD13  LEU  56          3HD1      LEU  56  -3.900  20.993  -7.252
  290   HD21  LEU  56          3HD2      LEU  56  -5.125  21.464  -5.166
  291   HD22  LEU  56          1HD2      LEU  56  -6.727  21.380  -5.931
  292   HD23  LEU  56          2HD2      LEU  56  -6.337  20.343  -4.539
  293    H    THR  57           H        THR  57  -6.999  15.763  -6.923
  294    HA   THR  57           HA       THR  57  -9.757  15.559  -8.053
  295    HB   THR  57           HB       THR  57  -8.843  13.946  -9.581
  296    HG1  THR  57           1HG      THR  57  -6.524  13.558  -9.443
  297   HG21  THR  57          3HG2      THR  57  -7.291  15.291 -10.843
  298   HG22  THR  57          1HG2      THR  57  -8.487  16.372 -10.108
  299   HG23  THR  57          2HG2      THR  57  -6.853  16.248  -9.414
  300    H    LYS  58           H        LYS  58  -7.976  14.345  -5.476
  301    HA   LYS  58           HA       LYS  58  -8.294  12.839  -3.868
  302    HB2  LYS  58           1HB      LYS  58 -11.121  12.777  -4.979
  303    HB3  LYS  58           2HB      LYS  58 -10.624  11.821  -3.601
  304    HG2  LYS  58           1HG      LYS  58 -11.716  13.860  -2.905
  305    HG3  LYS  58           2HG      LYS  58 -10.066  13.771  -2.297
  306    HD2  LYS  58           1HD      LYS  58  -9.313  15.445  -3.867
  307    HD3  LYS  58           2HD      LYS  58 -10.862  15.400  -4.746
  308    HE2  LYS  58           1HE      LYS  58 -12.032  16.316  -2.808
  309    HE3  LYS  58           2HE      LYS  58 -10.562  16.232  -1.826
  310    HZ1  LYS  58           3HZ      LYS  58 -10.969  18.469  -2.729
  311    HZ2  LYS  58           1HZ      LYS  58  -9.539  17.864  -3.250
  312    HZ3  LYS  58           2HZ      LYS  58 -10.832  17.905  -4.262
  313    H    ARG  59           H        ARG  59  -8.017  11.895  -6.990
  314    HA   ARG  59           HA       ARG  59  -8.326   9.049  -6.966
  315    HB2  ARG  59           1HB      ARG  59  -6.374  10.827  -8.490
  316    HB3  ARG  59           2HB      ARG  59  -6.647   9.110  -8.809
  317    HG2  ARG  59           1HG      ARG  59  -9.031   9.555  -9.320
  318    HG3  ARG  59           2HG      ARG  59  -8.774  11.287  -9.026
  319    HD2  ARG  59           1HD      ARG  59  -7.081  11.336 -10.842
  320    HD3  ARG  59           2HD      ARG  59  -7.392   9.617 -11.164
  321    HE   ARG  59           HE       ARG  59  -9.874  10.950 -11.251
  322   HH11  ARG  59          1HH1      ARG  59  -6.904  10.917 -13.171
  323   HH12  ARG  59          2HH1      ARG  59  -7.728  11.391 -14.625
  324   HH21  ARG  59          1HH2      ARG  59 -10.879  11.552 -13.164
  325   HH22  ARG  59          2HH2      ARG  59  -9.950  11.735 -14.620
  326    H    SER  60           H        SER  60  -7.182   7.471  -6.101
  327    HA   SER  60           HA       SER  60  -5.152   7.828  -4.123
  328    HB2  SER  60           1HB      SER  60  -5.155   5.416  -4.067
  329    HB3  SER  60           2HB      SER  60  -6.823   5.971  -4.330
  330    HG   SER  60           HG       SER  60  -6.485   4.393  -5.819
  331    H    ARG  61           H        ARG  61  -4.751   8.076  -7.444
  332    HA   ARG  61           HA       ARG  61  -3.088   7.913  -8.960
  333    HB2  ARG  61           1HB      ARG  61  -1.173   7.730  -6.592
  334    HB3  ARG  61           2HB      ARG  61  -0.702   7.875  -8.277
  335    HG2  ARG  61           1HG      ARG  61  -1.842  10.056  -8.461
  336    HG3  ARG  61           2HG      ARG  61  -2.366   9.933  -6.776
  337    HD2  ARG  61           1HD      ARG  61  -0.395  11.361  -6.907
  338    HD3  ARG  61           2HD      ARG  61  -0.023   9.879  -6.025
  339    HE   ARG  61           HE       ARG  61   0.634   9.965  -8.916
  340   HH11  ARG  61          1HH1      ARG  61   1.972  10.205  -5.612
  341   HH12  ARG  61          2HH1      ARG  61   3.546   9.653  -6.188
  342   HH21  ARG  61          1HH2      ARG  61   2.775   9.311  -9.457
  343   HH22  ARG  61          2HH2      ARG  61   3.955   9.215  -8.154
  344    H    GLY  62           H        GLY  62  -4.251   5.418  -7.329
  345    HA2  GLY  62           1HA      GLY  62  -4.404   3.199  -7.888
  346    HA3  GLY  62           2HA      GLY  62  -3.143   3.422  -9.125
  347    H    PHE  63           H        PHE  63  -2.249   4.426  -5.872
  348    HA   PHE  63           HA       PHE  63  -1.257   1.804  -5.161
  349    HB2  PHE  63           1HB      PHE  63   1.026   2.049  -5.448
  350    HB3  PHE  63           2HB      PHE  63   0.391   2.714  -6.929
  351    HD1  PHE  63           1HD      PHE  63   0.244   5.302  -7.132
  352    HD2  PHE  63           2HD      PHE  63   2.317   3.313  -3.919
  353    HE1  PHE  63           1HE      PHE  63   1.404   7.415  -6.563
  354    HE2  PHE  63           2HE      PHE  63   3.535   5.402  -3.414
  355    HZ   PHE  63           HZ       PHE  63   3.059   7.464  -4.676
  356    H    GLY  64           H        GLY  64  -0.008   1.678  -3.255
  357    HA2  GLY  64           1HA      GLY  64   0.287   3.971  -1.452
  358    HA3  GLY  64           2HA      GLY  64  -0.898   2.791  -0.921
  359    H    PHE  65           H        PHE  65   0.402   2.380   0.903
  360    HA   PHE  65           HA       PHE  65   2.540   0.367   0.497
  361    HB2  PHE  65           1HB      PHE  65   2.849   2.929   2.103
  362    HB3  PHE  65           2HB      PHE  65   3.836   1.520   2.368
  363    HD1  PHE  65           1HD      PHE  65   3.056   4.227  -0.112
  364    HD2  PHE  65           2HD      PHE  65   5.673   0.958   0.980
  365    HE1  PHE  65           1HE      PHE  65   4.773   5.062  -1.668
  366    HE2  PHE  65           2HE      PHE  65   7.385   1.822  -0.579
  367    HZ   PHE  65           HZ       PHE  65   6.940   3.892  -1.904
  368    H    VAL  66           H        VAL  66   2.757  -1.076   2.213
  369    HA   VAL  66           HA       VAL  66   1.221  -0.594   4.713
  370    HB   VAL  66           HB       VAL  66   0.965  -3.183   3.131
  371   HG11  VAL  66          1HG1      VAL  66   1.161  -3.759   5.498
  372   HG12  VAL  66          2HG1      VAL  66   0.017  -2.479   5.943
  373   HG13  VAL  66          3HG1      VAL  66  -0.532  -3.891   5.024
  374   HG21  VAL  66          3HG2      VAL  66  -1.483  -2.650   3.269
  375   HG22  VAL  66          1HG2      VAL  66  -1.080  -1.077   3.975
  376   HG23  VAL  66          2HG2      VAL  66  -0.580  -1.461   2.331
  377    H    THR  67           H        THR  67   2.368  -0.934   6.391
  378    HA   THR  67           HA       THR  67   4.888  -2.564   6.348
  379    HB   THR  67           HB       THR  67   4.040  -0.650   8.519
  380    HG1  THR  67           1HG      THR  67   4.029   0.557   6.666
  381   HG21  THR  67          3HG2      THR  67   6.466  -0.432   8.880
  382   HG22  THR  67          1HG2      THR  67   5.975  -2.135   8.997
  383   HG23  THR  67          2HG2      THR  67   6.777  -1.543   7.536
  384    H    PHE  68           H        PHE  68   5.154  -4.139   7.941
  385    HA   PHE  68           HA       PHE  68   2.707  -4.915   9.493
  386    HB2  PHE  68           1HB      PHE  68   4.811  -6.635   8.153
  387    HB3  PHE  68           2HB      PHE  68   3.597  -7.239   9.270
  388    HD1  PHE  68           1HD      PHE  68   4.064  -5.685   5.906
  389    HD2  PHE  68           2HD      PHE  68   1.361  -7.715   8.585
  390    HE1  PHE  68           1HE      PHE  68   2.487  -6.068   4.029
  391    HE2  PHE  68           2HE      PHE  68  -0.222  -8.073   6.712
  392    HZ   PHE  68           HZ       PHE  68   0.343  -7.260   4.431
  393    H    MET  69           H        MET  69   2.965  -5.772  11.531
  394    HA   MET  69           HA       MET  69   5.241  -4.972  13.170
  395    HB2  MET  69           1HB      MET  69   2.869  -6.821  13.676
  396    HB3  MET  69           2HB      MET  69   4.012  -6.303  14.910
  397    HG2  MET  69           1HG      MET  69   2.201  -4.432  13.335
  398    HG3  MET  69           2HG      MET  69   1.894  -5.053  14.950
  399    HE1  MET  69           3HE      MET  69   2.500  -1.399  15.859
  400    HE2  MET  69           1HE      MET  69   1.494  -2.208  14.635
  401    HE3  MET  69           2HE      MET  69   1.605  -2.876  16.274
  402    H    ASP  70           H        ASP  70   4.850  -7.518  11.021
  403    HA   ASP  70           HA       ASP  70   7.033  -9.157  12.100
  404    HB2  ASP  70           1HB      ASP  70   5.679 -11.183  12.164
  405    HB3  ASP  70           2HB      ASP  70   5.059  -9.995  13.298
  406    H    GLN  71           H        GLN  71   7.964 -10.558  10.575
  407    HA   GLN  71           HA       GLN  71   7.580  -9.812   7.789
  408    HB2  GLN  71           1HB      GLN  71   9.772 -10.358   8.928
  409    HB3  GLN  71           2HB      GLN  71   9.272 -12.036   9.006
  410    HG2  GLN  71           1HG      GLN  71  10.797 -11.691   7.138
  411    HG3  GLN  71           2HG      GLN  71   9.224 -12.192   6.552
  412   HE21  GLN  71          2HE2      GLN  71  10.231 -11.302   4.467
  413   HE22  GLN  71          1HE2      GLN  71  10.024  -9.581   4.178
  414    H    ALA  72           H        ALA  72   6.322 -12.334   9.821
  415    HA   ALA  72           HA       ALA  72   5.810 -14.329   7.860
  416    HB1  ALA  72           1HB      ALA  72   5.765 -14.709  10.311
  417    HB2  ALA  72           2HB      ALA  72   4.277 -13.733  10.426
  418    HB3  ALA  72           3HB      ALA  72   4.275 -15.261   9.521
  419    H    GLY  73           H        GLY  73   3.907 -11.395   8.584
  420    HA2  GLY  73           1HA      GLY  73   1.737 -12.175   6.772
  421    HA3  GLY  73           2HA      GLY  73   2.016 -10.566   7.457
  422    H    VAL  74           H        VAL  74   4.717 -10.304   6.437
  423    HA   VAL  74           HA       VAL  74   4.264  -9.356   3.750
  424    HB   VAL  74           HB       VAL  74   6.861  -9.929   5.228
  425   HG11  VAL  74          1HG1      VAL  74   7.383 -10.059   2.856
  426   HG12  VAL  74          2HG1      VAL  74   6.497  -8.555   2.538
  427   HG13  VAL  74          3HG1      VAL  74   7.982  -8.530   3.503
  428   HG21  VAL  74          3HG2      VAL  74   7.005  -7.484   5.445
  429   HG22  VAL  74          1HG2      VAL  74   5.452  -7.308   4.601
  430   HG23  VAL  74          2HG2      VAL  74   5.531  -8.091   6.198
  431    H    ASP  75           H        ASP  75   5.844 -12.320   5.053
  432    HA   ASP  75           HA       ASP  75   6.581 -13.614   2.711
  433    HB2  ASP  75           1HB      ASP  75   7.006 -14.323   5.092
  434    HB3  ASP  75           2HB      ASP  75   5.352 -14.893   5.189
  435    H    LYS  76           H        LYS  76   3.351 -13.845   4.302
  436    HA   LYS  76           HA       LYS  76   2.226 -15.641   2.385
  437    HB2  LYS  76           1HB      LYS  76   0.887 -13.603   4.204
  438    HB3  LYS  76           2HB      LYS  76   0.056 -14.905   3.321
  439    HG2  LYS  76           1HG      LYS  76   1.246 -16.611   4.587
  440    HG3  LYS  76           2HG      LYS  76   2.176 -15.369   5.435
  441    HD2  LYS  76           1HD      LYS  76  -0.155 -14.372   6.117
  442    HD3  LYS  76           2HD      LYS  76  -0.831 -15.888   5.518
  443    HE2  LYS  76           1HE      LYS  76  -0.611 -16.298   7.794
  444    HE3  LYS  76           2HE      LYS  76   0.849 -17.047   7.126
  445    HZ1  LYS  76           3HZ      LYS  76   1.360 -15.663   9.059
  446    HZ2  LYS  76           1HZ      LYS  76   2.045 -14.986   7.722
  447    HZ3  LYS  76           2HZ      LYS  76   0.677 -14.344   8.359
  448    H    VAL  77           H        VAL  77   2.366 -12.094   2.382
  449    HA   VAL  77           HA       VAL  77   0.486 -11.776   0.199
  450    HB   VAL  77           HB       VAL  77   2.587  -9.866   1.253
  451   HG11  VAL  77          1HG1      VAL  77   1.981  -9.149  -1.034
  452   HG12  VAL  77          2HG1      VAL  77   0.255  -9.279  -0.630
  453   HG13  VAL  77          3HG1      VAL  77   1.274  -8.055   0.152
  454   HG21  VAL  77          3HG2      VAL  77   0.691  -8.774   2.398
  455   HG22  VAL  77          1HG2      VAL  77  -0.456  -9.908   1.653
  456   HG23  VAL  77          2HG2      VAL  77   0.700 -10.479   2.855
  457    H    LEU  78           H        LEU  78   4.008 -12.321   0.332
  458    HA   LEU  78           HA       LEU  78   4.412 -11.954  -2.546
  459    HB2  LEU  78           1HB      LEU  78   6.052 -13.431  -0.455
  460    HB3  LEU  78           2HB      LEU  78   6.619 -12.931  -2.042
  461    HG   LEU  78           HG       LEU  78   5.694 -10.947   0.089
  462   HD11  LEU  78          1HD1      LEU  78   7.496 -12.321   0.929
  463   HD12  LEU  78          2HD1      LEU  78   8.461 -12.033  -0.535
  464   HD13  LEU  78          3HD1      LEU  78   8.106 -10.684   0.581
  465   HD21  LEU  78          3HD2      LEU  78   7.008  -9.335  -1.234
  466   HD22  LEU  78          1HD2      LEU  78   7.304 -10.583  -2.466
  467   HD23  LEU  78          2HD2      LEU  78   5.647 -10.004  -2.144
  468    H    ALA  79           H        ALA  79   3.895 -14.706  -0.351
  469    HA   ALA  79           HA       ALA  79   4.318 -16.720  -2.285
  470    HB1  ALA  79           1HB      ALA  79   4.514 -17.038   0.153
  471    HB2  ALA  79           2HB      ALA  79   2.756 -16.826   0.332
  472    HB3  ALA  79           3HB      ALA  79   3.401 -18.224  -0.552
  473    H    GLN  80           H        GLN  80   1.369 -14.911  -1.588
  474    HA   GLN  80           HA       GLN  80  -0.411 -16.771  -2.990
  475    HB2  GLN  80           1HB      GLN  80  -1.117 -15.481  -1.024
  476    HB3  GLN  80           2HB      GLN  80  -0.884 -13.973  -1.908
  477    HG2  GLN  80           1HG      GLN  80  -2.651 -14.552  -3.479
  478    HG3  GLN  80           2HG      GLN  80  -2.784 -16.183  -2.819
  479   HE21  GLN  80          2HE2      GLN  80  -4.414 -13.324  -2.860
  480   HE22  GLN  80          1HE2      GLN  80  -5.211 -13.465  -1.289
  481    H    SER  81           H        SER  81  -1.378 -16.545  -4.994
  482    HA   SER  81           HA       SER  81   0.358 -15.440  -7.007
  483    HB2  SER  81           1HB      SER  81  -1.399 -16.498  -8.494
  484    HB3  SER  81           2HB      SER  81  -0.602 -17.584  -7.335
  485    HG   SER  81           HG       SER  81  -2.899 -17.879  -7.390
  486    H    ARG  82           H        ARG  82  -2.655 -14.353  -5.652
  487    HA   ARG  82           HA       ARG  82  -2.636 -11.899  -7.278
  488    HB2  ARG  82           1HB      ARG  82  -3.947 -13.815  -8.518
  489    HB3  ARG  82           2HB      ARG  82  -5.191 -13.537  -7.295
  490    HG2  ARG  82           1HG      ARG  82  -5.182 -11.071  -8.019
  491    HG3  ARG  82           2HG      ARG  82  -4.036 -11.527  -9.278
  492    HD2  ARG  82           1HD      ARG  82  -6.028 -11.536 -10.428
  493    HD3  ARG  82           2HD      ARG  82  -5.875 -13.240 -10.021
  494    HE   ARG  82           HE       ARG  82  -7.732 -11.211  -8.853
  495   HH11  ARG  82          1HH1      ARG  82  -6.831 -14.641  -8.884
  496   HH12  ARG  82          2HH1      ARG  82  -8.312 -15.110  -8.107
  497   HH21  ARG  82          1HH2      ARG  82  -9.619 -11.881  -7.930
  498   HH22  ARG  82          2HH2      ARG  82  -9.858 -13.570  -7.560
  499    H    HIS  83           H        HIS  83  -3.920 -10.232  -6.459
  500    HA   HIS  83           HA       HIS  83  -5.379 -10.623  -3.897
  501    HB2  HIS  83           1HB      HIS  83  -3.185  -8.599  -4.484
  502    HB3  HIS  83           2HB      HIS  83  -4.272  -8.501  -3.092
  503    HD1  HIS  83           1HD      HIS  83  -3.964 -10.522  -1.235
  504    HD2  HIS  83           2HD      HIS  83  -1.115 -10.236  -4.313
  505    HE1  HIS  83           1HE      HIS  83  -1.947 -11.908  -0.485
  506    H    GLU  84           H        GLU  84  -6.991  -8.957  -3.491
  507    HA   GLU  84           HA       GLU  84  -7.749  -7.191  -5.717
  508    HB2  GLU  84           1HB      GLU  84  -8.400  -9.612  -6.283
  509    HB3  GLU  84           2HB      GLU  84  -9.568  -9.504  -4.963
  510    HG2  GLU  84           1HG      GLU  84 -10.599  -7.519  -6.114
  511    HG3  GLU  84           2HG      GLU  84  -9.438  -7.719  -7.436
  512    H    LEU  85           H        LEU  85  -8.813  -5.494  -5.014
  513    HA   LEU  85           HA       LEU  85 -10.363  -5.433  -2.503
  514    HB2  LEU  85           1HB      LEU  85  -8.065  -5.167  -1.729
  515    HB3  LEU  85           2HB      LEU  85  -7.738  -3.965  -2.982
  516    HG   LEU  85           HG       LEU  85  -9.276  -2.370  -1.886
  517   HD11  LEU  85          1HD1      LEU  85 -10.881  -3.834  -0.773
  518   HD12  LEU  85          2HD1      LEU  85  -9.600  -4.576   0.197
  519   HD13  LEU  85          3HD1      LEU  85 -10.049  -2.880   0.464
  520   HD21  LEU  85          3HD2      LEU  85  -7.851  -1.923   0.067
  521   HD22  LEU  85          1HD2      LEU  85  -7.178  -3.565  -0.021
  522   HD23  LEU  85          2HD2      LEU  85  -6.873  -2.403  -1.331
  523    H    ASP  86           H        ASP  86 -11.970  -3.931  -2.641
  524    HA   ASP  86           HA       ASP  86 -13.543  -2.679  -3.653
  525    HB2  ASP  86           1HB      ASP  86 -11.808  -0.908  -3.249
  526    HB3  ASP  86           2HB      ASP  86 -11.272  -1.100  -4.916
  527    H    SER  87           H        SER  87 -12.734  -5.092  -4.931
  528    HA   SER  87           HA       SER  87 -13.038  -6.373  -6.773
  529    HB2  SER  87           1HB      SER  87 -14.689  -4.095  -7.914
  530    HB3  SER  87           2HB      SER  87 -14.681  -5.784  -8.431
  531    HG   SER  87           HG       SER  87 -15.470  -4.827  -5.858
  532    H    LYS  88           H        LYS  88 -10.752  -4.348  -6.675
  533    HA   LYS  88           HA       LYS  88  -9.987  -4.357  -9.573
  534    HB2  LYS  88           1HB      LYS  88  -9.363  -2.438  -7.292
  535    HB3  LYS  88           2HB      LYS  88  -8.427  -2.464  -8.774
  536    HG2  LYS  88           1HG      LYS  88 -11.421  -2.258  -9.049
  537    HG3  LYS  88           2HG      LYS  88 -10.561  -0.867  -8.400
  538    HD2  LYS  88           1HD      LYS  88  -9.085  -0.825 -10.405
  539    HD3  LYS  88           2HD      LYS  88  -9.968  -2.215 -11.053
  540    HE2  LYS  88           1HE      LYS  88 -10.861  -0.198 -12.080
  541    HE3  LYS  88           2HE      LYS  88 -12.083  -0.868 -10.999
  542    HZ1  LYS  88           3HZ      LYS  88 -11.912   1.522 -10.715
  543    HZ2  LYS  88           1HZ      LYS  88 -11.393   0.821  -9.332
  544    HZ3  LYS  88           2HZ      LYS  88 -10.318   1.450 -10.394
  545    H    THR  89           H        THR  89  -8.124  -5.296 -10.099
  546    HA   THR  89           HA       THR  89  -6.955  -7.196  -8.192
  547    HB   THR  89           HB       THR  89  -6.182  -6.649 -11.083
  548    HG1  THR  89           1HG      THR  89  -7.593  -8.372 -11.475
  549   HG21  THR  89          3HG2      THR  89  -5.325  -8.994 -10.963
  550   HG22  THR  89          1HG2      THR  89  -4.454  -7.928  -9.853
  551   HG23  THR  89          2HG2      THR  89  -5.699  -9.027  -9.222
  552    H    ILE  90           H        ILE  90  -5.294  -6.781  -6.886
  553    HA   ILE  90           HA       ILE  90  -3.579  -4.397  -7.470
  554    HB   ILE  90           HB       ILE  90  -3.204  -4.108  -5.141
  555   HG12  ILE  90          1HG1      ILE  90  -4.942  -6.513  -4.564
  556   HG13  ILE  90          2HG1      ILE  90  -3.186  -6.387  -4.352
  557   HG21  ILE  90          1HG2      ILE  90  -5.294  -3.167  -6.236
  558   HG22  ILE  90          2HG2      ILE  90  -6.205  -4.542  -5.585
  559   HG23  ILE  90          3HG2      ILE  90  -5.471  -3.380  -4.491
  560   HD11  ILE  90          3HD1      ILE  90  -4.131  -6.067  -2.204
  561   HD12  ILE  90          1HD1      ILE  90  -3.596  -4.462  -2.760
  562   HD13  ILE  90          2HD1      ILE  90  -5.320  -4.902  -2.804
  563    H    ASP  91           H        ASP  91  -1.391  -4.438  -6.947
  564    HA   ASP  91           HA       ASP  91  -0.083  -7.117  -7.253
  565    HB2  ASP  91           1HB      ASP  91  -0.409  -6.039  -9.417
  566    HB3  ASP  91           2HB      ASP  91   0.371  -4.573  -8.824
  567    HA   PRO  92           HA       PRO  92   2.003  -4.728  -3.928
  568    HB2  PRO  92           1HB      PRO  92   1.732  -6.526  -1.856
  569    HB3  PRO  92           2HB      PRO  92   0.529  -5.290  -2.304
  570    HG2  PRO  92           1HG      PRO  92   0.426  -8.226  -2.818
  571    HG3  PRO  92           2HG      PRO  92  -0.917  -7.035  -2.622
  572    HD2  PRO  92           1HD      PRO  92   0.097  -8.076  -5.055
  573    HD3  PRO  92           2HD      PRO  92  -1.045  -6.731  -4.814
  574    H    LYS  93           H        LYS  93   4.038  -4.922  -3.077
  575    HA   LYS  93           HA       LYS  93   5.756  -7.257  -3.546
  576    HB2  LYS  93           1HB      LYS  93   7.167  -6.053  -5.209
  577    HB3  LYS  93           2HB      LYS  93   5.540  -6.376  -5.801
  578    HG2  LYS  93           1HG      LYS  93   4.876  -4.035  -5.305
  579    HG3  LYS  93           2HG      LYS  93   6.487  -3.703  -4.661
  580    HD2  LYS  93           1HD      LYS  93   6.354  -2.801  -6.894
  581    HD3  LYS  93           2HD      LYS  93   7.472  -4.162  -6.886
  582    HE2  LYS  93           1HE      LYS  93   6.152  -4.325  -8.882
  583    HE3  LYS  93           2HE      LYS  93   5.654  -5.630  -7.808
  584    HZ1  LYS  93           3HZ      LYS  93   3.740  -4.575  -8.764
  585    HZ2  LYS  93           1HZ      LYS  93   3.715  -4.236  -7.177
  586    HZ3  LYS  93           2HZ      LYS  93   4.175  -3.087  -8.271
  587    H    VAL  94           H        VAL  94   8.093  -6.710  -2.999
  588    HA   VAL  94           HA       VAL  94   8.163  -5.588  -0.365
  589    HB   VAL  94           HB       VAL  94  10.502  -6.255  -2.197
  590   HG11  VAL  94          1HG1      VAL  94  11.292  -4.796  -0.388
  591   HG12  VAL  94          2HG1      VAL  94  10.426  -5.774   0.820
  592   HG13  VAL  94          3HG1      VAL  94  11.810  -6.449  -0.068
  593   HG21  VAL  94          3HG2      VAL  94  10.607  -8.355  -0.842
  594   HG22  VAL  94          1HG2      VAL  94   9.103  -7.883  -0.023
  595   HG23  VAL  94          2HG2      VAL  94   9.111  -8.233  -1.767
  596    H    ALA  95           H        ALA  95   8.739  -3.635   0.444
  597    HA   ALA  95           HA       ALA  95   8.748  -1.368  -1.437
  598    HB1  ALA  95           1HB      ALA  95   7.229  -1.383   0.518
  599    HB2  ALA  95           2HB      ALA  95   8.624  -1.497   1.605
  600    HB3  ALA  95           3HB      ALA  95   8.376  -0.046   0.623
  601    H    PHE  96           H        PHE  96  10.268   0.217  -1.606
  602    HA   PHE  96           HA       PHE  96  12.993  -0.104  -0.707
  603    HB2  PHE  96           1HB      PHE  96  11.545   2.466  -1.455
  604    HB3  PHE  96           2HB      PHE  96  13.279   2.208  -1.454
  605    HD1  PHE  96           2HD      PHE  96  13.019  -0.658  -2.925
  606    HD2  PHE  96           1HD      PHE  96  11.547   3.326  -3.706
  607    HE1  PHE  96           2HE      PHE  96  12.863  -1.182  -5.335
  608    HE2  PHE  96           1HE      PHE  96  11.397   2.791  -6.119
  609    HZ   PHE  96           HZ       PHE  96  12.044   0.533  -6.940
  610    HA   PRO  97           HA       PRO  97  12.425   0.660   3.507
  611    HB2  PRO  97           1HB      PRO  97  14.745   1.910   4.360
  612    HB3  PRO  97           2HB      PRO  97  14.625   0.189   3.883
  613    HG2  PRO  97           1HG      PRO  97  15.498   2.541   2.172
  614    HG3  PRO  97           2HG      PRO  97  16.316   0.956   2.379
  615    HD2  PRO  97           1HD      PRO  97  14.725   1.414   0.250
  616    HD3  PRO  97           2HD      PRO  97  14.656  -0.164   1.092
  617    H    ARG  98           H        ARG  98  11.901   2.064   5.181
  618    HA   ARG  98           HA       ARG  98  11.078   4.775   4.423
  619    HB2  ARG  98           1HB      ARG  98   9.784   4.805   6.386
  620    HB3  ARG  98           2HB      ARG  98   9.579   3.206   5.685
  621    HG2  ARG  98           1HG      ARG  98  11.287   2.322   7.313
  622    HG3  ARG  98           2HG      ARG  98  11.330   3.907   8.074
  623    HD2  ARG  98           1HD      ARG  98   8.988   1.985   7.902
  624    HD3  ARG  98           2HD      ARG  98   9.877   2.448   9.347
  625    HE   ARG  98           HE       ARG  98   7.564   3.705   8.313
  626   HH11  ARG  98          1HH1      ARG  98  10.694   5.001   9.491
  627   HH12  ARG  98          2HH1      ARG  98   9.891   6.313  10.279
  628   HH21  ARG  98          1HH2      ARG  98   6.686   5.258   9.486
  629   HH22  ARG  98          2HH2      ARG  98   7.653   6.518  10.223
  630    H    ARG  99           H        ARG  99  11.464   6.553   6.153
  631    HA   ARG  99           HA       ARG  99  14.309   6.939   6.560
  632    HB2  ARG  99           1HB      ARG  99  11.899   8.412   7.699
  633    HB3  ARG  99           2HB      ARG  99  13.566   8.920   7.935
  634    HG2  ARG  99           1HG      ARG  99  12.178   8.657   5.242
  635    HG3  ARG  99           2HG      ARG  99  12.424  10.168   6.112
  636    HD2  ARG  99           1HD      ARG  99  14.585   8.364   4.950
  637    HD3  ARG  99           2HD      ARG  99  14.026   9.898   4.281
  638    HE   ARG  99           HE       ARG  99  14.794  10.642   6.788
  639   HH11  ARG  99          1HH1      ARG  99  16.530   8.955   4.208
  640   HH12  ARG  99          2HH1      ARG  99  18.078   9.531   4.750
  641   HH21  ARG  99          1HH2      ARG  99  16.820  11.345   7.436
  642   HH22  ARG  99          2HH2      ARG  99  18.234  10.873   6.544
  643    H    ALA 100           H        ALA 100  15.587   6.599   8.253
  644    HA   ALA 100           HA       ALA 100  14.754   5.877  10.936
  645    HB1  ALA 100           1HB      ALA 100  14.201   3.762   9.753
  646    HB2  ALA 100           2HB      ALA 100  15.840   3.707   9.070
  647    HB3  ALA 100           3HB      ALA 100  15.592   3.529  10.818
  648    H    GLN 101           H        GLN 101  16.705   5.175  12.251
  649    HA   GLN 101           HA       GLN 101  19.334   6.045  11.223
  650    HB2  GLN 101           1HB      GLN 101  17.902   7.217  13.652
  651    HB3  GLN 101           2HB      GLN 101  19.640   7.343  13.389
  652    HG2  GLN 101           1HG      GLN 101  19.208   8.513  11.218
  653    HG3  GLN 101           2HG      GLN 101  17.480   8.509  11.581
  654   HE21  GLN 101          2HE2      GLN 101  19.554  10.791  11.312
  655   HE22  GLN 101          1HE2      GLN 101  19.309  11.702  12.793
  656    HA   PRO 102           HA       PRO 102  20.443   2.389  13.384
  657    HB2  PRO 102           1HB      PRO 102  23.139   2.671  13.772
  658    HB3  PRO 102           2HB      PRO 102  22.397   2.488  12.155
  659    HG2  PRO 102           1HG      PRO 102  23.172   5.068  13.560
  660    HG3  PRO 102           2HG      PRO 102  23.606   4.543  11.899
  661    HD2  PRO 102           1HD      PRO 102  21.504   6.191  12.345
  662    HD3  PRO 102           2HD      PRO 102  21.400   4.894  11.115
  663    H    LYS 103           H        LYS 103  21.471   1.476  15.335
  664    HA   LYS 103           HA       LYS 103  21.397   3.157  17.784
  665    HB2  LYS 103           1HB      LYS 103  19.704   0.662  17.311
  666    HB3  LYS 103           2HB      LYS 103  19.859   1.502  18.846
  667    HG2  LYS 103           1HG      LYS 103  18.634   2.696  16.323
  668    HG3  LYS 103           2HG      LYS 103  17.732   1.972  17.644
  669    HD2  LYS 103           1HD      LYS 103  18.424   3.651  19.213
  670    HD3  LYS 103           2HD      LYS 103  19.577   4.364  18.085
  671    HE2  LYS 103           1HE      LYS 103  16.576   4.238  17.576
  672    HE3  LYS 103           2HE      LYS 103  17.386   5.602  18.354
  673    HZ1  LYS 103           3HZ      LYS 103  17.166   6.025  16.003
  674    HZ2  LYS 103           1HZ      LYS 103  18.758   5.842  16.346
  675    HZ3  LYS 103           2HZ      LYS 103  17.948   4.646  15.590
  676    H5'    G 104           H5'        G 104  -2.913  -0.162 -12.319
  677   H5''    G 104          H5"         G 104  -4.508  -0.097 -11.544
  678    H4'    G 104           H4'        G 104  -3.737   1.528 -14.011
  679    H3'    G 104           H3'        G 104  -2.879   1.967 -11.316
  680    H2'    G 104           H2'        G 104  -4.942   2.654 -10.519
  681   HO2'    G 104          HO2         G 104  -3.620   4.799 -11.724
  682    H1'    G 104           H1'        G 104  -5.601   3.809 -13.250
  683    H8     G 104           8H         G 104  -7.029   2.551  -9.907
  684    H1     G 104           1H         G 104 -11.458   4.505 -14.141
  685    H21    G 104           1H2        G 104 -10.427   5.015 -16.081
  686    H22    G 104           2H2        G 104  -8.689   4.806 -16.222
  687   HO5'    G 104          H5T         G 104  -5.397  -0.756 -13.612
  688    H5'    U 105           H5'        U 105  -1.283   3.205 -10.277
  689   H5''    U 105          H5"         U 105  -0.141   4.323 -11.024
  690    H4'    U 105           H4'        U 105   0.753   3.400  -8.972
  691    H3'    U 105           H3'        U 105   2.177   3.574 -11.311
  692    H2'    U 105           H2'        U 105   1.864   1.339 -11.959
  693   HO2'    U 105          HO2         U 105   4.317   1.776 -10.945
  694    H1'    U 105           H1'        U 105   2.323   0.429  -9.118
  695    H3     U 105           3H         U 105   1.928  -3.887 -10.533
  696    H5     U 105           5H         U 105  -1.155  -1.949 -12.593
  697    H6     U 105           6H         U 105  -0.445   0.164 -11.598
  698    H5'    A 106           H5'        A 106   3.782   4.630  -6.961
  699   H5''    A 106          H5"         A 106   4.066   6.054  -7.956
  700    H4'    A 106           H4'        A 106   5.008   6.464  -5.817
  701    H3'    A 106           H3'        A 106   6.508   6.798  -8.093
  702    H2'    A 106           H2'        A 106   7.583   4.710  -8.046
  703   HO2'    A 106          HO2         A 106   9.142   6.616  -6.710
  704    H1'    A 106           H1'        A 106   8.013   4.866  -5.064
  705    H8     A 106           8H         A 106   7.114   2.509  -8.035
  706    H61    A 106           1H6        A 106   9.119  -1.866  -3.988
  707    H62    A 106           2H6        A 106   8.619  -1.640  -5.665
  708    H2     A 106           2H         A 106   9.132   1.925  -1.951
  709    H5'    G 107           H5'        G 107   7.738   9.079  -3.520
  710   H5''    G 107          H5"         G 107   7.386   7.350  -3.452
  711    H4'    G 107           H4'        G 107   5.479   9.182  -2.023
  712    H3'    G 107           H3'        G 107   8.319   8.648  -1.097
  713    H2'    G 107           H2'        G 107   7.523   8.609   1.087
  714   HO2'    G 107          HO2         G 107   6.084  10.639   0.437
  715    H1'    G 107           H1'        G 107   4.887   7.730   0.333
  716    H8     G 107           8H         G 107   4.587   5.975   1.987
  717    H1     G 107           1H         G 107  10.721   4.051   1.826
  718    H21    G 107           1H2        G 107  11.812   5.231   0.288
  719    H22    G 107           2H2        G 107  10.962   6.397  -0.714
  720    H5'    U 108           H5'        U 108   8.156  10.855   1.457
  721   H5''    U 108          H5"         U 108   9.268  12.216   1.541
  722    H4'    U 108           H4'        U 108  10.796  11.089   2.827
  723    H3'    U 108           H3'        U 108  10.415   8.777   1.125
  724   HO3'    U 108          H3T         U 108  12.454   9.474   1.799
  725    H2'    U 108           H2'        U 108   8.889   7.741   2.538
  726   HO2'    U 108          HO2         U 108  11.491   7.258   3.313
  727    H1'    U 108           H1'        U 108  10.200   9.103   4.899
  728    H3     U 108           3H         U 108   7.504   6.701   7.640
  729    H5     U 108           5H         U 108   4.836   8.337   4.864
  730    H6     U 108           6H         U 108   6.737   9.197   3.590
  Start of MODEL   14
    1    H    CYS  20           1H       CYS  20  11.273  -5.900   5.650
    2    HA   CYS  20           HA       CYS  20   8.961  -6.559   5.747
    3    HB2  CYS  20           1HB      CYS  20   7.446  -5.423   7.384
    4    HB3  CYS  20           2HB      CYS  20   8.625  -6.433   8.183
    5    HG   CYS  20           HG       CYS  20   8.698  -3.124   7.717
    6    H    LYS  21           H        LYS  21   7.084  -4.786   5.489
    7    HA   LYS  21           HA       LYS  21   6.184  -2.980   4.592
    8    HB2  LYS  21           1HB      LYS  21   8.051  -1.579   5.477
    9    HB3  LYS  21           2HB      LYS  21   8.864  -1.733   3.910
   10    HG2  LYS  21           1HG      LYS  21   7.043  -0.632   2.761
   11    HG3  LYS  21           2HG      LYS  21   5.986  -0.779   4.160
   12    HD2  LYS  21           1HD      LYS  21   7.488   0.789   5.410
   13    HD3  LYS  21           2HD      LYS  21   8.427   1.019   3.919
   14    HE2  LYS  21           1HE      LYS  21   6.499   1.884   2.741
   15    HE3  LYS  21           2HE      LYS  21   5.393   1.376   4.038
   16    HZ1  LYS  21           3HZ      LYS  21   5.995   3.792   3.964
   17    HZ2  LYS  21           1HZ      LYS  21   6.190   3.058   5.433
   18    HZ3  LYS  21           2HZ      LYS  21   7.495   3.392   4.447
   19    H    MET  22           H        MET  22   5.209  -2.582   2.769
   20    HA   MET  22           HA       MET  22   6.252  -3.666   0.203
   21    HB2  MET  22           1HB      MET  22   3.561  -4.303   1.496
   22    HB3  MET  22           2HB      MET  22   4.047  -4.750  -0.143
   23    HG2  MET  22           1HG      MET  22   6.025  -5.990   0.886
   24    HG3  MET  22           2HG      MET  22   5.314  -5.662   2.461
   25    HE1  MET  22           3HE      MET  22   3.991  -8.652  -0.729
   26    HE2  MET  22           1HE      MET  22   3.834  -6.921  -1.099
   27    HE3  MET  22           2HE      MET  22   5.424  -7.611  -0.695
   28    H    PHE  23           H        PHE  23   5.658  -2.653  -1.534
   29    HA   PHE  23           HA       PHE  23   4.028  -0.166  -1.501
   30    HB2  PHE  23           1HB      PHE  23   6.086   0.025  -2.710
   31    HB3  PHE  23           2HB      PHE  23   5.893  -1.551  -3.464
   32    HD1  PHE  23           1HD      PHE  23   4.224  -1.900  -5.292
   33    HD2  PHE  23           2HD      PHE  23   5.071   2.010  -3.702
   34    HE1  PHE  23           1HE      PHE  23   3.225  -0.872  -7.309
   35    HE2  PHE  23           2HE      PHE  23   4.083   3.023  -5.731
   36    HZ   PHE  23           HZ       PHE  23   3.154   1.607  -7.533
   37    H    ILE  24           H        ILE  24   1.993  -0.163  -2.399
   38    HA   ILE  24           HA       ILE  24   0.848  -2.824  -3.221
   39    HB   ILE  24           HB       ILE  24  -0.679  -0.583  -1.875
   40   HG12  ILE  24          1HG1      ILE  24   0.937  -1.156  -0.211
   41   HG13  ILE  24          2HG1      ILE  24  -0.639  -1.781   0.221
   42   HG21  ILE  24          1HG2      ILE  24  -1.946  -2.260  -3.197
   43   HG22  ILE  24          2HG2      ILE  24  -1.275  -3.556  -2.201
   44   HG23  ILE  24          3HG2      ILE  24  -2.326  -2.327  -1.471
   45   HD11  ILE  24          3HD1      ILE  24   1.205  -3.327   0.793
   46   HD12  ILE  24          1HD1      ILE  24   0.054  -4.063  -0.323
   47   HD13  ILE  24          2HD1      ILE  24   1.624  -3.483  -0.915
   48    H    GLY  25           H        GLY  25   0.949  -2.649  -5.436
   49    HA2  GLY  25           1HA      GLY  25   0.091  -0.151  -6.789
   50    HA3  GLY  25           2HA      GLY  25   0.875  -1.564  -7.519
   51    H    GLY  26           H        GLY  26  -1.352  -0.165  -8.579
   52    HA2  GLY  26           1HA      GLY  26  -3.050  -0.892  -9.975
   53    HA3  GLY  26           2HA      GLY  26  -2.965  -2.511  -9.244
   54    H    LEU  27           H        LEU  27  -3.450   0.144  -7.061
   55    HA   LEU  27           HA       LEU  27  -5.962  -0.868  -6.064
   56    HB2  LEU  27           1HB      LEU  27  -4.654   1.864  -5.687
   57    HB3  LEU  27           2HB      LEU  27  -5.970   1.220  -4.730
   58    HG   LEU  27           HG       LEU  27  -3.116   0.156  -4.760
   59   HD11  LEU  27          1HD1      LEU  27  -3.538   2.340  -3.593
   60   HD12  LEU  27          2HD1      LEU  27  -4.770   1.554  -2.604
   61   HD13  LEU  27          3HD1      LEU  27  -3.068   1.044  -2.476
   62   HD21  LEU  27          3HD2      LEU  27  -4.004  -1.208  -2.776
   63   HD22  LEU  27          1HD2      LEU  27  -5.620  -0.924  -3.448
   64   HD23  LEU  27          2HD2      LEU  27  -4.371  -1.753  -4.409
   65    H    SER  28           H        SER  28  -7.924   0.512  -5.829
   66    HA   SER  28           HA       SER  28  -8.778   1.678  -8.428
   67    HB2  SER  28           1HB      SER  28 -10.311   0.158  -7.200
   68    HB3  SER  28           2HB      SER  28 -10.302   1.283  -5.836
   69    HG   SER  28           HG       SER  28 -12.087   1.516  -7.393
   70    H    TRP  29           H        TRP  29  -9.436   3.874  -8.620
   71    HA   TRP  29           HA       TRP  29  -8.148   5.868  -6.996
   72    HB2  TRP  29           1HB      TRP  29 -10.372   5.959  -9.032
   73    HB3  TRP  29           2HB      TRP  29  -9.780   7.394  -8.199
   74    HD1  TRP  29           HD       TRP  29  -6.783   5.432  -8.810
   75    HE1  TRP  29           1HE      TRP  29  -5.570   6.122 -10.932
   76    HE3  TRP  29           3HE      TRP  29 -10.528   8.137 -11.023
   77    HZ2  TRP  29           2HZ      TRP  29  -6.093   7.759 -13.262
   78    HZ3  TRP  29           3HZ      TRP  29 -10.154   9.206 -13.230
   79    HH2  TRP  29           HH       TRP  29  -7.947   9.028 -14.358
   80    H    GLN  30           H        GLN  30 -10.900   3.993  -6.324
   81    HA   GLN  30           HA       GLN  30 -12.079   5.873  -4.370
   82    HB2  GLN  30           1HB      GLN  30 -13.500   4.531  -5.815
   83    HB3  GLN  30           2HB      GLN  30 -12.737   3.040  -5.276
   84    HG2  GLN  30           1HG      GLN  30 -13.704   3.283  -3.046
   85    HG3  GLN  30           2HG      GLN  30 -14.325   4.891  -3.452
   86   HE21  GLN  30          2HE2      GLN  30 -14.720   1.364  -4.072
   87   HE22  GLN  30          1HE2      GLN  30 -16.335   1.544  -4.756
   88    H    THR  31           H        THR  31  -9.501   3.530  -4.321
   89    HA   THR  31           HA       THR  31 -10.071   2.344  -1.788
   90    HB   THR  31           HB       THR  31  -7.406   2.478  -3.253
   91    HG1  THR  31           1HG      THR  31  -9.787   1.150  -3.665
   92   HG21  THR  31          3HG2      THR  31  -7.083   0.233  -2.140
   93   HG22  THR  31          1HG2      THR  31  -7.078   1.586  -1.008
   94   HG23  THR  31          2HG2      THR  31  -8.520   0.551  -1.156
   95    H    THR  32           H        THR  32  -9.333   2.658   0.225
   96    HA   THR  32           HA       THR  32  -7.803   5.138   0.883
   97    HB   THR  32           HB       THR  32  -9.049   5.164   3.004
   98    HG1  THR  32           1HG      THR  32 -10.907   3.750   3.109
   99   HG21  THR  32          3HG2      THR  32 -11.198   5.912   2.186
  100   HG22  THR  32          1HG2      THR  32  -9.945   6.428   1.044
  101   HG23  THR  32          2HG2      THR  32 -10.985   5.041   0.653
  102    H    GLN  33           H        GLN  33  -6.563   5.006   2.900
  103    HA   GLN  33           HA       GLN  33  -4.969   2.572   2.991
  104    HB2  GLN  33           1HB      GLN  33  -3.699   3.783   4.760
  105    HB3  GLN  33           2HB      GLN  33  -3.785   4.532   3.179
  106    HG2  GLN  33           1HG      GLN  33  -5.623   6.056   4.092
  107    HG3  GLN  33           2HG      GLN  33  -5.211   5.426   5.694
  108   HE21  GLN  33          2HE2      GLN  33  -3.809   6.892   6.747
  109   HE22  GLN  33          1HE2      GLN  33  -2.601   7.850   5.906
  110    H    GLU  34           H        GLU  34  -7.606   3.841   4.972
  111    HA   GLU  34           HA       GLU  34  -7.488   1.819   7.000
  112    HB2  GLU  34           1HB      GLU  34  -9.985   3.140   5.846
  113    HB3  GLU  34           2HB      GLU  34  -9.807   2.341   7.404
  114    HG2  GLU  34           1HG      GLU  34  -9.597   4.461   8.150
  115    HG3  GLU  34           2HG      GLU  34  -7.903   4.215   7.754
  116    H    GLY  35           H        GLY  35  -8.903   1.877   3.710
  117    HA2  GLY  35           1HA      GLY  35 -10.096  -0.750   3.775
  118    HA3  GLY  35           2HA      GLY  35  -9.692   0.213   2.335
  119    H    LEU  36           H        LEU  36  -6.826   0.438   2.831
  120    HA   LEU  36           HA       LEU  36  -5.839  -2.140   2.023
  121    HB2  LEU  36           1HB      LEU  36  -4.223   0.081   3.373
  122    HB3  LEU  36           2HB      LEU  36  -3.594  -1.297   2.502
  123    HG   LEU  36           HG       LEU  36  -5.017   1.103   1.345
  124   HD11  LEU  36          1HD1      LEU  36  -2.601   1.296   1.861
  125   HD12  LEU  36          2HD1      LEU  36  -2.276  -0.115   0.831
  126   HD13  LEU  36          3HD1      LEU  36  -2.916   1.376   0.117
  127   HD21  LEU  36          3HD2      LEU  36  -4.739   0.028  -0.876
  128   HD22  LEU  36          1HD2      LEU  36  -4.302  -1.495  -0.073
  129   HD23  LEU  36          2HD2      LEU  36  -5.926  -0.783   0.134
  130    H    ARG  37           H        ARG  37  -5.707  -0.552   5.264
  131    HA   ARG  37           HA       ARG  37  -4.587  -2.768   6.624
  132    HB2  ARG  37           1HB      ARG  37  -4.796  -0.554   7.606
  133    HB3  ARG  37           2HB      ARG  37  -6.560  -0.657   7.591
  134    HG2  ARG  37           1HG      ARG  37  -6.493  -2.526   9.217
  135    HG3  ARG  37           2HG      ARG  37  -4.723  -2.497   9.184
  136    HD2  ARG  37           1HD      ARG  37  -4.867  -0.071   9.921
  137    HD3  ARG  37           2HD      ARG  37  -6.606  -0.293  10.100
  138    HE   ARG  37           HE       ARG  37  -4.477  -1.252  11.866
  139   HH11  ARG  37          1HH1      ARG  37  -7.884  -1.770  11.040
  140   HH12  ARG  37          2HH1      ARG  37  -8.225  -2.528  12.566
  141   HH21  ARG  37          1HH2      ARG  37  -4.994  -2.237  13.804
  142   HH22  ARG  37          2HH2      ARG  37  -6.613  -2.790  14.101
  143    H    GLU  38           H        GLU  38  -8.011  -2.151   5.858
  144    HA   GLU  38           HA       GLU  38  -9.139  -4.287   7.246
  145    HB2  GLU  38           1HB      GLU  38 -10.134  -2.296   5.693
  146    HB3  GLU  38           2HB      GLU  38 -10.274  -3.623   4.534
  147    HG2  GLU  38           1HG      GLU  38 -11.489  -4.937   6.301
  148    HG3  GLU  38           2HG      GLU  38 -11.342  -3.537   7.375
  149    H    TYR  39           H        TYR  39  -7.559  -4.346   4.056
  150    HA   TYR  39           HA       TYR  39  -8.187  -7.181   3.559
  151    HB2  TYR  39           1HB      TYR  39  -8.208  -5.446   1.798
  152    HB3  TYR  39           2HB      TYR  39  -6.487  -5.173   2.040
  153    HD1  TYR  39           1HD      TYR  39  -8.974  -7.863   1.211
  154    HD2  TYR  39           2HD      TYR  39  -4.916  -6.467   0.802
  155    HE1  TYR  39           1HE      TYR  39  -8.493  -9.736  -0.347
  156    HE2  TYR  39           2HE      TYR  39  -4.429  -8.326  -0.767
  157    HH   TYR  39           HH       TYR  39  -6.922 -10.795  -1.606
  158    H    PHE  40           H        PHE  40  -5.303  -5.209   4.336
  159    HA   PHE  40           HA       PHE  40  -3.526  -7.482   4.186
  160    HB2  PHE  40           1HB      PHE  40  -3.186  -4.550   4.777
  161    HB3  PHE  40           2HB      PHE  40  -1.865  -5.656   5.022
  162    HD1  PHE  40           1HD      PHE  40  -1.487  -7.413   2.962
  163    HD2  PHE  40           2HD      PHE  40  -3.474  -3.611   2.596
  164    HE1  PHE  40           1HE      PHE  40  -1.178  -7.479   0.505
  165    HE2  PHE  40           2HE      PHE  40  -3.187  -3.690   0.148
  166    HZ   PHE  40           HZ       PHE  40  -2.033  -5.620  -0.911
  167    H    GLY  41           H        GLY  41  -5.282  -5.998   6.820
  168    HA2  GLY  41           1HA      GLY  41  -3.866  -7.093   9.033
  169    HA3  GLY  41           2HA      GLY  41  -5.585  -6.666   8.985
  170    H    GLN  42           H        GLN  42  -5.680  -8.760   6.612
  171    HA   GLN  42           HA       GLN  42  -6.409 -11.078   8.235
  172    HB2  GLN  42           1HB      GLN  42  -6.231 -10.895   5.209
  173    HB3  GLN  42           2HB      GLN  42  -7.202 -12.005   6.170
  174    HG2  GLN  42           1HG      GLN  42  -7.632  -9.009   5.820
  175    HG3  GLN  42           2HG      GLN  42  -8.615 -10.290   5.155
  176   HE21  GLN  42          2HE2      GLN  42  -9.339  -7.980   6.940
  177   HE22  GLN  42          1HE2      GLN  42 -10.085  -8.739   8.347
  178    H    PHE  43           H        PHE  43  -3.519 -10.049   6.582
  179    HA   PHE  43           HA       PHE  43  -2.302 -12.775   6.620
  180    HB2  PHE  43           1HB      PHE  43  -1.226 -10.144   5.528
  181    HB3  PHE  43           2HB      PHE  43  -0.526 -11.731   5.317
  182    HD1  PHE  43           1HD      PHE  43  -3.280  -9.494   4.322
  183    HD2  PHE  43           2HD      PHE  43  -1.476 -13.327   3.682
  184    HE1  PHE  43           1HE      PHE  43  -4.586  -9.742   2.223
  185    HE2  PHE  43           2HE      PHE  43  -2.777 -13.601   1.591
  186    HZ   PHE  43           HZ       PHE  43  -4.340 -11.805   0.859
  187    H    GLY  44           H        GLY  44  -1.982  -9.533   8.077
  188    HA2  GLY  44           1HA      GLY  44  -1.001 -10.547  10.556
  189    HA3  GLY  44           2HA      GLY  44   0.350  -9.894   9.645
  190    H    GLU  45           H        GLU  45  -0.633  -8.836  12.127
  191    HA   GLU  45           HA       GLU  45  -2.292  -6.536  11.785
  192    HB2  GLU  45           1HB      GLU  45  -1.804  -7.615  13.952
  193    HB3  GLU  45           2HB      GLU  45  -0.127  -7.058  13.868
  194    HG2  GLU  45           1HG      GLU  45  -0.846  -4.725  13.990
  195    HG3  GLU  45           2HG      GLU  45  -2.540  -5.193  13.813
  196    H    VAL  46           H        VAL  46  -1.864  -4.509  10.994
  197    HA   VAL  46           HA       VAL  46   0.761  -4.099   9.776
  198    HB   VAL  46           HB       VAL  46  -0.138  -2.449   8.415
  199   HG11  VAL  46          1HG1      VAL  46  -0.726  -4.795   7.822
  200   HG12  VAL  46          2HG1      VAL  46  -2.299  -4.580   8.629
  201   HG13  VAL  46          3HG1      VAL  46  -1.893  -3.610   7.210
  202   HG21  VAL  46          3HG2      VAL  46  -2.479  -1.661   8.483
  203   HG22  VAL  46          1HG2      VAL  46  -2.648  -2.413  10.094
  204   HG23  VAL  46          2HG2      VAL  46  -1.494  -1.081   9.828
  205    H    LYS  47           H        LYS  47   2.189  -2.615  10.228
  206    HA   LYS  47           HA       LYS  47   2.155  -1.111  12.764
  207    HB2  LYS  47           1HB      LYS  47   4.056  -2.452  12.004
  208    HB3  LYS  47           2HB      LYS  47   4.217  -1.458  10.556
  209    HG2  LYS  47           1HG      LYS  47   4.794   0.504  11.873
  210    HG3  LYS  47           2HG      LYS  47   4.453  -0.343  13.387
  211    HD2  LYS  47           1HD      LYS  47   6.610  -1.137  11.381
  212    HD3  LYS  47           2HD      LYS  47   6.911  -0.131  12.793
  213    HE2  LYS  47           1HE      LYS  47   5.779  -2.965  12.944
  214    HE3  LYS  47           2HE      LYS  47   7.492  -2.596  13.015
  215    HZ1  LYS  47           3HZ      LYS  47   6.573  -2.791  15.235
  216    HZ2  LYS  47           1HZ      LYS  47   7.086  -1.259  15.001
  217    HZ3  LYS  47           2HZ      LYS  47   5.485  -1.604  14.961
  218    H    GLU  48           H        GLU  48   1.696  -0.507   9.354
  219    HA   GLU  48           HA       GLU  48   0.968   2.306   9.620
  220    HB2  GLU  48           1HB      GLU  48   3.394   2.544   9.736
  221    HB3  GLU  48           2HB      GLU  48   3.605   1.414   8.415
  222    HG2  GLU  48           1HG      GLU  48   2.569   3.076   6.850
  223    HG3  GLU  48           2HG      GLU  48   2.520   4.230   8.195
  224    H    CYS  49           H        CYS  49  -0.269   2.895   7.842
  225    HA   CYS  49           HA       CYS  49  -0.057   1.399   5.327
  226    HB2  CYS  49           1HB      CYS  49  -2.503   1.126   5.117
  227    HB3  CYS  49           2HB      CYS  49  -1.835   0.177   6.453
  228    HG   CYS  49           HG       CYS  49  -4.320   1.493   6.726
  229    H    LEU  50           H        LEU  50  -0.547   2.629   3.529
  230    HA   LEU  50           HA       LEU  50  -1.247   5.503   3.875
  231    HB2  LEU  50           1HB      LEU  50   1.278   4.376   2.633
  232    HB3  LEU  50           2HB      LEU  50   0.740   6.026   2.400
  233    HG   LEU  50           HG       LEU  50   1.535   4.855   5.091
  234   HD11  LEU  50          1HD1      LEU  50   3.413   5.000   3.478
  235   HD12  LEU  50          2HD1      LEU  50   3.040   6.713   3.182
  236   HD13  LEU  50          3HD1      LEU  50   3.592   6.172   4.787
  237   HD21  LEU  50          3HD2      LEU  50   1.563   7.232   5.815
  238   HD22  LEU  50          1HD2      LEU  50   0.953   7.730   4.221
  239   HD23  LEU  50          2HD2      LEU  50  -0.060   6.756   5.306
  240    H    VAL  51           H        VAL  51  -2.164   6.426   2.119
  241    HA   VAL  51           HA       VAL  51  -1.952   5.097  -0.557
  242    HB   VAL  51           HB       VAL  51  -4.507   6.185   0.690
  243   HG11  VAL  51          1HG1      VAL  51  -4.379   7.149  -1.561
  244   HG12  VAL  51          2HG1      VAL  51  -3.926   5.569  -2.243
  245   HG13  VAL  51          3HG1      VAL  51  -5.547   5.835  -1.563
  246   HG21  VAL  51          3HG2      VAL  51  -5.421   3.992  -0.029
  247   HG22  VAL  51          1HG2      VAL  51  -3.830   3.530  -0.668
  248   HG23  VAL  51          2HG2      VAL  51  -4.059   3.776   1.075
  249    H    MET  52           H        MET  52  -1.257   6.414  -2.065
  250    HA   MET  52           HA       MET  52  -0.375   9.099  -1.221
  251    HB2  MET  52           1HB      MET  52   0.340   7.260  -3.530
  252    HB3  MET  52           2HB      MET  52   1.061   8.861  -3.281
  253    HG2  MET  52           1HG      MET  52   1.186   6.675  -1.177
  254    HG3  MET  52           2HG      MET  52   2.413   6.941  -2.394
  255    HE1  MET  52           3HE      MET  52   2.068   8.980   1.556
  256    HE2  MET  52           1HE      MET  52   0.625   8.351   0.726
  257    HE3  MET  52           2HE      MET  52   2.002   7.272   1.063
  258    H    ARG  53           H        ARG  53  -3.034   9.257  -1.514
  259    HA   ARG  53           HA       ARG  53  -3.908   9.781  -4.158
  260    HB2  ARG  53           1HB      ARG  53  -5.993  10.526  -3.213
  261    HB3  ARG  53           2HB      ARG  53  -5.440   9.078  -2.378
  262    HG2  ARG  53           1HG      ARG  53  -4.639  10.497  -0.479
  263    HG3  ARG  53           2HG      ARG  53  -5.274  11.928  -1.323
  264    HD2  ARG  53           1HD      ARG  53  -7.537  10.851  -1.354
  265    HD3  ARG  53           2HD      ARG  53  -6.881   9.510  -0.395
  266    HE   ARG  53           HE       ARG  53  -6.239  11.871   0.987
  267   HH11  ARG  53          1HH1      ARG  53  -9.222  10.177   0.112
  268   HH12  ARG  53          2HH1      ARG  53 -10.088  10.813   1.479
  269   HH21  ARG  53          1HH2      ARG  53  -7.416  12.652   2.727
  270   HH22  ARG  53          2HH2      ARG  53  -9.078  12.190   2.937
  271    H    ASP  54           H        ASP  54  -4.517  11.606  -5.244
  272    HA   ASP  54           HA       ASP  54  -2.921  14.019  -4.904
  273    HB2  ASP  54           1HB      ASP  54  -3.465  13.150  -7.115
  274    HB3  ASP  54           2HB      ASP  54  -5.191  13.219  -6.765
  275    HA   PRO  55           HA       PRO  55  -5.992  15.662  -2.115
  276    HB2  PRO  55           1HB      PRO  55  -4.994  18.142  -1.566
  277    HB3  PRO  55           2HB      PRO  55  -4.153  16.639  -1.071
  278    HG2  PRO  55           1HG      PRO  55  -3.639  18.327  -3.547
  279    HG3  PRO  55           2HG      PRO  55  -2.443  17.747  -2.342
  280    HD2  PRO  55           1HD      PRO  55  -2.903  16.412  -4.679
  281    HD3  PRO  55           2HD      PRO  55  -2.555  15.537  -3.157
  282    H    LEU  56           H        LEU  56  -5.601  17.041  -5.311
  283    HA   LEU  56           HA       LEU  56  -7.763  19.020  -4.959
  284    HB2  LEU  56           1HB      LEU  56  -6.129  18.186  -7.396
  285    HB3  LEU  56           2HB      LEU  56  -7.219  19.550  -7.286
  286    HG   LEU  56           HG       LEU  56  -4.599  19.227  -5.760
  287   HD11  LEU  56          1HD1      LEU  56  -4.331  19.684  -8.169
  288   HD12  LEU  56          2HD1      LEU  56  -5.388  21.107  -8.027
  289   HD13  LEU  56          3HD1      LEU  56  -3.820  21.069  -7.189
  290   HD21  LEU  56          3HD2      LEU  56  -4.941  21.599  -5.063
  291   HD22  LEU  56          1HD2      LEU  56  -6.578  21.553  -5.753
  292   HD23  LEU  56          2HD2      LEU  56  -6.154  20.519  -4.368
  293    H    THR  57           H        THR  57  -7.155  15.923  -6.575
  294    HA   THR  57           HA       THR  57  -9.998  15.791  -7.517
  295    HB   THR  57           HB       THR  57  -9.184  14.236  -9.207
  296    HG1  THR  57           1HG      THR  57  -6.624  14.800  -8.088
  297   HG21  THR  57          3HG2      THR  57  -7.925  15.756 -10.591
  298   HG22  THR  57          1HG2      THR  57  -9.139  16.682  -9.693
  299   HG23  THR  57          2HG2      THR  57  -7.434  16.729  -9.188
  300    H    LYS  58           H        LYS  58  -7.984  14.426  -5.188
  301    HA   LYS  58           HA       LYS  58  -8.204  12.832  -3.647
  302    HB2  LYS  58           1HB      LYS  58 -11.101  12.881  -4.555
  303    HB3  LYS  58           2HB      LYS  58 -10.529  11.827  -3.280
  304    HG2  LYS  58           1HG      LYS  58 -11.504  13.823  -2.354
  305    HG3  LYS  58           2HG      LYS  58  -9.803  13.690  -1.915
  306    HD2  LYS  58           1HD      LYS  58  -9.192  15.456  -3.456
  307    HD3  LYS  58           2HD      LYS  58 -10.825  15.475  -4.166
  308    HE2  LYS  58           1HE      LYS  58 -11.765  16.240  -2.027
  309    HE3  LYS  58           2HE      LYS  58 -10.176  16.121  -1.255
  310    HZ1  LYS  58           3HZ      LYS  58 -10.699  18.400  -1.939
  311    HZ2  LYS  58           1HZ      LYS  58  -9.370  17.851  -2.721
  312    HZ3  LYS  58           2HZ      LYS  58 -10.809  17.948  -3.508
  313    H    ARG  59           H        ARG  59  -8.116  12.061  -6.803
  314    HA   ARG  59           HA       ARG  59  -8.417   9.219  -6.960
  315    HB2  ARG  59           1HB      ARG  59  -6.489  11.105  -8.373
  316    HB3  ARG  59           2HB      ARG  59  -6.773   9.420  -8.827
  317    HG2  ARG  59           1HG      ARG  59  -9.144   9.895  -9.290
  318    HG3  ARG  59           2HG      ARG  59  -8.931  11.587  -8.827
  319    HD2  ARG  59           1HD      ARG  59  -7.422  10.220 -11.086
  320    HD3  ARG  59           2HD      ARG  59  -8.882  11.205 -11.300
  321    HE   ARG  59           HE       ARG  59  -7.224  12.874  -9.888
  322   HH11  ARG  59          1HH2      ARG  59  -6.786  11.187 -12.967
  323   HH12  ARG  59          2HH2      ARG  59  -5.672  12.386 -13.561
  324   HH21  ARG  59          1HH1      ARG  59  -5.810  14.341 -10.675
  325   HH22  ARG  59          2HH1      ARG  59  -5.124  14.172 -12.268
  326    H    SER  60           H        SER  60  -7.291   7.605  -6.130
  327    HA   SER  60           HA       SER  60  -5.195   7.899  -4.206
  328    HB2  SER  60           1HB      SER  60  -5.252   5.489  -4.155
  329    HB3  SER  60           2HB      SER  60  -6.916   6.071  -4.379
  330    HG   SER  60           HG       SER  60  -6.626   4.478  -5.871
  331    H    ARG  61           H        ARG  61  -4.894   8.110  -7.553
  332    HA   ARG  61           HA       ARG  61  -3.263   7.911  -9.106
  333    HB2  ARG  61           1HB      ARG  61  -1.283   7.686  -6.796
  334    HB3  ARG  61           2HB      ARG  61  -0.872   7.860  -8.494
  335    HG2  ARG  61           1HG      ARG  61  -1.976  10.061  -8.592
  336    HG3  ARG  61           2HG      ARG  61  -2.453   9.910  -6.895
  337    HD2  ARG  61           1HD      ARG  61  -0.468  11.309  -7.046
  338    HD3  ARG  61           2HD      ARG  61  -0.088   9.796  -6.216
  339    HE   ARG  61           HE       ARG  61   0.473   9.940  -9.123
  340   HH11  ARG  61          1HH1      ARG  61   1.934  10.129  -5.869
  341   HH12  ARG  61          2HH1      ARG  61   3.485   9.592  -6.512
  342   HH21  ARG  61          1HH2      ARG  61   2.591   9.301  -9.755
  343   HH22  ARG  61          2HH2      ARG  61   3.821   9.187  -8.501
  344    H    GLY  62           H        GLY  62  -4.425   5.452  -7.419
  345    HA2  GLY  62           1HA      GLY  62  -4.628   3.231  -7.942
  346    HA3  GLY  62           2HA      GLY  62  -3.394   3.408  -9.210
  347    H    PHE  63           H        PHE  63  -2.425   4.442  -5.980
  348    HA   PHE  63           HA       PHE  63  -1.465   1.814  -5.251
  349    HB2  PHE  63           1HB      PHE  63   0.822   2.022  -5.568
  350    HB3  PHE  63           2HB      PHE  63   0.171   2.653  -7.057
  351    HD1  PHE  63           1HD      PHE  63   0.068   5.227  -7.347
  352    HD2  PHE  63           2HD      PHE  63   2.154   3.316  -4.094
  353    HE1  PHE  63           1HE      PHE  63   1.285   7.333  -6.881
  354    HE2  PHE  63           2HE      PHE  63   3.423   5.398  -3.689
  355    HZ   PHE  63           HZ       PHE  63   2.965   7.421  -5.022
  356    H    GLY  64           H        GLY  64  -0.176   1.696  -3.363
  357    HA2  GLY  64           1HA      GLY  64   0.138   4.020  -1.586
  358    HA3  GLY  64           2HA      GLY  64  -1.011   2.816  -1.030
  359    H    PHE  65           H        PHE  65   0.340   2.485   0.779
  360    HA   PHE  65           HA       PHE  65   2.481   0.478   0.378
  361    HB2  PHE  65           1HB      PHE  65   2.838   3.114   1.848
  362    HB3  PHE  65           2HB      PHE  65   3.817   1.715   2.188
  363    HD1  PHE  65           1HD      PHE  65   3.066   4.319  -0.377
  364    HD2  PHE  65           2HD      PHE  65   5.584   0.989   0.753
  365    HE1  PHE  65           1HE      PHE  65   4.771   5.033  -2.011
  366    HE2  PHE  65           2HE      PHE  65   7.288   1.732  -0.878
  367    HZ   PHE  65           HZ       PHE  65   6.886   3.779  -2.255
  368    H    VAL  66           H        VAL  66   2.774  -0.898   2.142
  369    HA   VAL  66           HA       VAL  66   1.293  -0.373   4.664
  370    HB   VAL  66           HB       VAL  66   0.968  -2.962   3.091
  371   HG11  VAL  66          1HG1      VAL  66   1.182  -3.525   5.478
  372   HG12  VAL  66          2HG1      VAL  66   0.003  -2.259   5.900
  373   HG13  VAL  66          3HG1      VAL  66  -0.498  -3.688   4.978
  374   HG21  VAL  66          3HG2      VAL  66  -1.453  -2.449   3.208
  375   HG22  VAL  66          1HG2      VAL  66  -1.102  -0.910   4.018
  376   HG23  VAL  66          2HG2      VAL  66  -0.588  -1.187   2.344
  377    H    THR  67           H        THR  67   2.380  -0.957   6.415
  378    HA   THR  67           HA       THR  67   4.852  -2.645   6.207
  379    HB   THR  67           HB       THR  67   4.338  -0.484   8.264
  380    HG1  THR  67           1HG      THR  67   5.212   0.940   6.907
  381   HG21  THR  67          3HG2      THR  67   6.832  -0.581   8.493
  382   HG22  THR  67          1HG2      THR  67   6.037  -2.092   8.956
  383   HG23  THR  67          2HG2      THR  67   6.847  -1.972   7.386
  384    H    PHE  68           H        PHE  68   5.079  -4.231   7.770
  385    HA   PHE  68           HA       PHE  68   2.614  -4.882   9.321
  386    HB2  PHE  68           1HB      PHE  68   4.803  -6.587   8.097
  387    HB3  PHE  68           2HB      PHE  68   3.600  -7.204   9.210
  388    HD1  PHE  68           1HD      PHE  68   4.076  -5.773   5.806
  389    HD2  PHE  68           2HD      PHE  68   1.296  -7.557   8.575
  390    HE1  PHE  68           1HE      PHE  68   2.494  -6.200   3.942
  391    HE2  PHE  68           2HE      PHE  68  -0.285  -7.974   6.714
  392    HZ   PHE  68           HZ       PHE  68   0.314  -7.307   4.394
  393    H    MET  69           H        MET  69   2.749  -5.765  11.403
  394    HA   MET  69           HA       MET  69   4.866  -4.826  13.156
  395    HB2  MET  69           1HB      MET  69   2.587  -6.796  13.576
  396    HB3  MET  69           2HB      MET  69   3.657  -6.223  14.856
  397    HG2  MET  69           1HG      MET  69   1.834  -4.448  13.186
  398    HG3  MET  69           2HG      MET  69   1.515  -5.033  14.813
  399    HE1  MET  69           3HE      MET  69   1.954  -1.357  15.667
  400    HE2  MET  69           1HE      MET  69   1.016  -2.202  14.413
  401    HE3  MET  69           2HE      MET  69   1.107  -2.869  16.054
  402    H    ASP  70           H        ASP  70   4.653  -7.599  11.152
  403    HA   ASP  70           HA       ASP  70   7.287  -8.484  11.992
  404    HB2  ASP  70           1HB      ASP  70   5.653  -9.744  13.515
  405    HB3  ASP  70           2HB      ASP  70   5.038 -10.523  12.054
  406    H    GLN  71           H        GLN  71   8.253  -9.903  10.463
  407    HA   GLN  71           HA       GLN  71   7.681  -9.368   7.720
  408    HB2  GLN  71           1HB      GLN  71   9.892  -9.934   8.801
  409    HB3  GLN  71           2HB      GLN  71   9.328 -11.585   9.004
  410    HG2  GLN  71           1HG      GLN  71  10.808 -11.427   7.069
  411    HG3  GLN  71           2HG      GLN  71   9.193 -11.858   6.541
  412   HE21  GLN  71          2HE2      GLN  71  10.081 -11.106   4.384
  413   HE22  GLN  71          1HE2      GLN  71  10.017  -9.386   4.043
  414    H    ALA  72           H        ALA  72   6.531 -11.949   9.847
  415    HA   ALA  72           HA       ALA  72   5.894 -13.926   7.956
  416    HB1  ALA  72           1HB      ALA  72   5.874 -14.239  10.405
  417    HB2  ALA  72           2HB      ALA  72   4.440 -13.190  10.537
  418    HB3  ALA  72           3HB      ALA  72   4.334 -14.746   9.684
  419    H    GLY  73           H        GLY  73   4.153 -10.892   8.486
  420    HA2  GLY  73           1HA      GLY  73   1.848 -11.784   6.870
  421    HA3  GLY  73           2HA      GLY  73   2.138 -10.140   7.473
  422    H    VAL  74           H        VAL  74   4.908 -10.170   6.301
  423    HA   VAL  74           HA       VAL  74   4.269  -9.208   3.610
  424    HB   VAL  74           HB       VAL  74   6.936  -9.678   5.004
  425   HG11  VAL  74          1HG1      VAL  74   7.371  -9.950   2.642
  426   HG12  VAL  74          2HG1      VAL  74   6.446  -8.486   2.252
  427   HG13  VAL  74          3HG1      VAL  74   7.966  -8.371   3.156
  428   HG21  VAL  74          3HG2      VAL  74   7.051  -7.212   5.032
  429   HG22  VAL  74          1HG2      VAL  74   5.432  -7.130   4.312
  430   HG23  VAL  74          2HG2      VAL  74   5.662  -7.812   5.940
  431    H    ASP  75           H        ASP  75   5.941 -12.058   5.034
  432    HA   ASP  75           HA       ASP  75   6.641 -13.465   2.747
  433    HB2  ASP  75           1HB      ASP  75   7.151 -14.030   5.152
  434    HB3  ASP  75           2HB      ASP  75   5.510 -14.620   5.333
  435    H    LYS  76           H        LYS  76   3.454 -13.595   4.413
  436    HA   LYS  76           HA       LYS  76   2.276 -15.530   2.666
  437    HB2  LYS  76           1HB      LYS  76   1.026 -13.325   4.351
  438    HB3  LYS  76           2HB      LYS  76   0.141 -14.667   3.586
  439    HG2  LYS  76           1HG      LYS  76   1.137 -16.311   4.971
  440    HG3  LYS  76           2HG      LYS  76   2.355 -15.182   5.587
  441    HD2  LYS  76           1HD      LYS  76   0.519 -13.779   6.560
  442    HD3  LYS  76           2HD      LYS  76  -0.674 -14.975   6.008
  443    HE2  LYS  76           1HE      LYS  76   0.419 -16.692   7.420
  444    HE3  LYS  76           2HE      LYS  76   1.623 -15.491   7.936
  445    HZ1  LYS  76           3HZ      LYS  76  -0.100 -15.651   9.592
  446    HZ2  LYS  76           1HZ      LYS  76  -0.243 -14.185   8.865
  447    HZ3  LYS  76           2HZ      LYS  76  -1.287 -15.390   8.499
  448    H    VAL  77           H        VAL  77   2.363 -11.974   2.448
  449    HA   VAL  77           HA       VAL  77   0.460 -11.834   0.274
  450    HB   VAL  77           HB       VAL  77   2.503  -9.804   1.211
  451   HG11  VAL  77          1HG1      VAL  77   1.867  -9.232  -1.119
  452   HG12  VAL  77          2HG1      VAL  77   0.150  -9.366  -0.689
  453   HG13  VAL  77          3HG1      VAL  77   1.158  -8.089   0.020
  454   HG21  VAL  77          3HG2      VAL  77   0.587  -8.723   2.312
  455   HG22  VAL  77          1HG2      VAL  77  -0.538  -9.908   1.611
  456   HG23  VAL  77          2HG2      VAL  77   0.627 -10.411   2.834
  457    H    LEU  78           H        LEU  78   4.001 -12.252   0.385
  458    HA   LEU  78           HA       LEU  78   4.357 -12.045  -2.511
  459    HB2  LEU  78           1HB      LEU  78   6.058 -13.365  -0.365
  460    HB3  LEU  78           2HB      LEU  78   6.594 -12.934  -1.985
  461    HG   LEU  78           HG       LEU  78   5.648 -10.879   0.069
  462   HD11  LEU  78          1HD1      LEU  78   7.509 -12.141   0.925
  463   HD12  LEU  78          2HD1      LEU  78   8.422 -11.932  -0.586
  464   HD13  LEU  78          3HD1      LEU  78   8.082 -10.519   0.451
  465   HD21  LEU  78          3HD2      LEU  78   6.859  -9.281  -1.358
  466   HD22  LEU  78          1HD2      LEU  78   7.191 -10.570  -2.538
  467   HD23  LEU  78          2HD2      LEU  78   5.516 -10.046  -2.215
  468    H    ALA  79           H        ALA  79   3.964 -14.706  -0.169
  469    HA   ALA  79           HA       ALA  79   4.399 -16.798  -2.014
  470    HB1  ALA  79           1HB      ALA  79   4.615 -17.026   0.428
  471    HB2  ALA  79           2HB      ALA  79   2.859 -16.808   0.620
  472    HB3  ALA  79           3HB      ALA  79   3.495 -18.239  -0.214
  473    H    GLN  80           H        GLN  80   1.439 -14.989  -1.375
  474    HA   GLN  80           HA       GLN  80  -0.279 -16.875  -2.843
  475    HB2  GLN  80           1HB      GLN  80  -1.099 -15.676  -0.862
  476    HB3  GLN  80           2HB      GLN  80  -0.831 -14.123  -1.659
  477    HG2  GLN  80           1HG      GLN  80  -2.500 -14.661  -3.367
  478    HG3  GLN  80           2HG      GLN  80  -2.692 -16.296  -2.734
  479   HE21  GLN  80          2HE2      GLN  80  -4.381 -13.540  -2.906
  480   HE22  GLN  80          1HE2      GLN  80  -5.225 -13.632  -1.356
  481    H    SER  81           H        SER  81  -0.813 -16.745  -4.986
  482    HA   SER  81           HA       SER  81   0.880 -15.151  -6.649
  483    HB2  SER  81           1HB      SER  81  -1.442 -16.930  -7.458
  484    HB3  SER  81           2HB      SER  81  -0.075 -16.427  -8.466
  485    HG   SER  81           HG       SER  81   0.217 -18.551  -7.618
  486    H    ARG  82           H        ARG  82  -2.236 -14.310  -5.477
  487    HA   ARG  82           HA       ARG  82  -2.524 -12.055  -7.317
  488    HB2  ARG  82           1HB      ARG  82  -3.419 -14.043  -8.570
  489    HB3  ARG  82           2HB      ARG  82  -4.602 -14.290  -7.284
  490    HG2  ARG  82           1HG      ARG  82  -5.638 -12.095  -7.801
  491    HG3  ARG  82           2HG      ARG  82  -4.346 -11.751  -8.965
  492    HD2  ARG  82           1HD      ARG  82  -6.250 -12.463 -10.214
  493    HD3  ARG  82           2HD      ARG  82  -5.046 -13.766 -10.269
  494    HE   ARG  82           HE       ARG  82  -6.921 -14.130  -8.095
  495   HH11  ARG  82          1HH2      ARG  82  -6.710 -14.556 -11.601
  496   HH12  ARG  82          2HH2      ARG  82  -7.913 -15.811 -11.611
  497   HH21  ARG  82          1HH1      ARG  82  -8.457 -15.762  -8.179
  498   HH22  ARG  82          2HH1      ARG  82  -8.890 -16.476  -9.701
  499    H    HIS  83           H        HIS  83  -3.972 -10.491  -6.584
  500    HA   HIS  83           HA       HIS  83  -5.438 -10.897  -4.027
  501    HB2  HIS  83           1HB      HIS  83  -3.275  -8.836  -4.604
  502    HB3  HIS  83           2HB      HIS  83  -4.404  -8.710  -3.252
  503    HD1  HIS  83           1HD      HIS  83  -4.108 -10.632  -1.300
  504    HD2  HIS  83           2HD      HIS  83  -1.183 -10.434  -4.313
  505    HE1  HIS  83           1HE      HIS  83  -2.092 -11.960  -0.443
  506    H    GLU  84           H        GLU  84  -7.076  -9.260  -3.642
  507    HA   GLU  84           HA       GLU  84  -7.871  -7.460  -5.848
  508    HB2  GLU  84           1HB      GLU  84  -8.655  -9.747  -6.515
  509    HB3  GLU  84           2HB      GLU  84  -9.577  -9.837  -5.010
  510    HG2  GLU  84           1HG      GLU  84 -10.852  -7.780  -5.742
  511    HG3  GLU  84           2HG      GLU  84  -9.956  -7.815  -7.264
  512    H    LEU  85           H        LEU  85  -8.798  -5.740  -5.072
  513    HA   LEU  85           HA       LEU  85 -10.336  -5.665  -2.572
  514    HB2  LEU  85           1HB      LEU  85  -8.054  -5.523  -1.715
  515    HB3  LEU  85           2HB      LEU  85  -7.630  -4.323  -2.944
  516    HG   LEU  85           HG       LEU  85  -9.130  -2.669  -1.881
  517   HD11  LEU  85          1HD1      LEU  85 -10.831  -4.074  -0.840
  518   HD12  LEU  85          2HD1      LEU  85  -9.619  -4.876   0.168
  519   HD13  LEU  85          3HD1      LEU  85 -10.010  -3.161   0.429
  520   HD21  LEU  85          3HD2      LEU  85  -7.754  -2.305   0.128
  521   HD22  LEU  85          1HD2      LEU  85  -7.111  -3.956  -0.003
  522   HD23  LEU  85          2HD2      LEU  85  -6.765  -2.763  -1.270
  523    H    ASP  86           H        ASP  86 -11.867  -4.141  -2.722
  524    HA   ASP  86           HA       ASP  86 -13.182  -2.472  -3.475
  525    HB2  ASP  86           1HB      ASP  86 -11.147  -1.301  -2.528
  526    HB3  ASP  86           2HB      ASP  86 -10.586  -1.068  -4.181
  527    H    SER  87           H        SER  87 -12.920  -4.498  -5.294
  528    HA   SER  87           HA       SER  87 -13.526  -5.141  -7.374
  529    HB2  SER  87           1HB      SER  87 -14.208  -2.236  -7.929
  530    HB3  SER  87           2HB      SER  87 -14.730  -3.656  -8.838
  531    HG   SER  87           HG       SER  87 -15.348  -3.102  -6.106
  532    H    LYS  88           H        LYS  88 -10.669  -4.382  -6.887
  533    HA   LYS  88           HA       LYS  88  -9.820  -4.333  -9.723
  534    HB2  LYS  88           1HB      LYS  88  -9.153  -2.327  -7.566
  535    HB3  LYS  88           2HB      LYS  88  -7.834  -2.847  -8.592
  536    HG2  LYS  88           1HG      LYS  88 -10.429  -1.725  -9.712
  537    HG3  LYS  88           2HG      LYS  88  -9.016  -0.739  -9.316
  538    HD2  LYS  88           1HD      LYS  88  -7.624  -2.020 -10.913
  539    HD3  LYS  88           2HD      LYS  88  -8.990  -3.065 -11.293
  540    HE2  LYS  88           1HE      LYS  88  -8.810  -1.517 -13.070
  541    HE3  LYS  88           2HE      LYS  88 -10.263  -1.102 -12.158
  542    HZ1  LYS  88           3HZ      LYS  88  -8.875   0.832 -12.772
  543    HZ2  LYS  88           1HZ      LYS  88  -9.056   0.722 -11.151
  544    HZ3  LYS  88           2HZ      LYS  88  -7.639   0.275 -11.855
  545    H    THR  89           H        THR  89  -8.186  -5.686 -10.167
  546    HA   THR  89           HA       THR  89  -7.099  -7.504  -8.146
  547    HB   THR  89           HB       THR  89  -6.232  -7.110 -11.038
  548    HG1  THR  89           1HG      THR  89  -7.712  -8.787 -11.440
  549   HG21  THR  89          3HG2      THR  89  -5.480  -9.456 -10.836
  550   HG22  THR  89          1HG2      THR  89  -4.667  -8.453  -9.626
  551   HG23  THR  89          2HG2      THR  89  -6.017  -9.503  -9.144
  552    H    ILE  90           H        ILE  90  -5.333  -7.082  -6.933
  553    HA   ILE  90           HA       ILE  90  -3.701  -4.662  -7.625
  554    HB   ILE  90           HB       ILE  90  -3.285  -4.337  -5.270
  555   HG12  ILE  90          1HG1      ILE  90  -5.238  -6.573  -4.649
  556   HG13  ILE  90          2HG1      ILE  90  -3.475  -6.651  -4.483
  557   HG21  ILE  90          1HG2      ILE  90  -5.224  -3.244  -6.408
  558   HG22  ILE  90          2HG2      ILE  90  -6.274  -4.583  -5.911
  559   HG23  ILE  90          3HG2      ILE  90  -5.581  -3.523  -4.700
  560   HD11  ILE  90          3HD1      ILE  90  -4.329  -6.166  -2.320
  561   HD12  ILE  90          1HD1      ILE  90  -3.589  -4.664  -2.929
  562   HD13  ILE  90          2HD1      ILE  90  -5.353  -4.858  -2.928
  563    H    ASP  91           H        ASP  91  -1.527  -4.607  -7.101
  564    HA   ASP  91           HA       ASP  91  -0.137  -7.255  -7.301
  565    HB2  ASP  91           1HB      ASP  91  -0.490  -6.214  -9.491
  566    HB3  ASP  91           2HB      ASP  91   0.268  -4.730  -8.918
  567    HA   PRO  92           HA       PRO  92   1.822  -4.669  -3.988
  568    HB2  PRO  92           1HB      PRO  92   1.547  -6.398  -1.862
  569    HB3  PRO  92           2HB      PRO  92   0.319  -5.199  -2.348
  570    HG2  PRO  92           1HG      PRO  92   0.366  -8.154  -2.944
  571    HG3  PRO  92           2HG      PRO  92  -1.037  -7.094  -2.529
  572    HD2  PRO  92           1HD      PRO  92  -0.420  -7.864  -5.090
  573    HD3  PRO  92           2HD      PRO  92  -1.266  -6.352  -4.644
  574    H    LYS  93           H        LYS  93   3.884  -4.844  -3.219
  575    HA   LYS  93           HA       LYS  93   5.546  -7.232  -3.666
  576    HB2  LYS  93           1HB      LYS  93   6.945  -6.077  -5.371
  577    HB3  LYS  93           2HB      LYS  93   5.299  -6.376  -5.924
  578    HG2  LYS  93           1HG      LYS  93   4.685  -4.030  -5.482
  579    HG3  LYS  93           2HG      LYS  93   6.288  -3.705  -4.815
  580    HD2  LYS  93           1HD      LYS  93   6.175  -2.821  -7.064
  581    HD3  LYS  93           2HD      LYS  93   7.313  -4.165  -7.009
  582    HE2  LYS  93           1HE      LYS  93   6.032  -4.361  -9.036
  583    HE3  LYS  93           2HE      LYS  93   5.556  -5.675  -7.961
  584    HZ1  LYS  93           3HZ      LYS  93   3.626  -4.677  -8.948
  585    HZ2  LYS  93           1HZ      LYS  93   3.573  -4.336  -7.364
  586    HZ3  LYS  93           2HZ      LYS  93   4.012  -3.176  -8.452
  587    H    VAL  94           H        VAL  94   7.890  -6.755  -3.177
  588    HA   VAL  94           HA       VAL  94   8.087  -5.594  -0.571
  589    HB   VAL  94           HB       VAL  94  10.348  -6.323  -2.480
  590   HG11  VAL  94          1HG1      VAL  94  11.219  -4.873  -0.701
  591   HG12  VAL  94          2HG1      VAL  94  10.376  -5.834   0.537
  592   HG13  VAL  94          3HG1      VAL  94  11.719  -6.534  -0.393
  593   HG21  VAL  94          3HG2      VAL  94  10.460  -8.420  -1.117
  594   HG22  VAL  94          1HG2      VAL  94   8.984  -7.921  -0.263
  595   HG23  VAL  94          2HG2      VAL  94   8.947  -8.276  -2.007
  596    H    ALA  95           H        ALA  95   8.717  -3.637   0.179
  597    HA   ALA  95           HA       ALA  95   8.640  -1.400  -1.701
  598    HB1  ALA  95           1HB      ALA  95   7.378  -1.350   0.403
  599    HB2  ALA  95           2HB      ALA  95   8.886  -1.521   1.331
  600    HB3  ALA  95           3HB      ALA  95   8.586  -0.055   0.380
  601    H    PHE  96           H        PHE  96  10.199   0.018  -2.224
  602    HA   PHE  96           HA       PHE  96  13.000  -0.435  -1.809
  603    HB2  PHE  96           1HB      PHE  96  11.528   2.118  -2.573
  604    HB3  PHE  96           2HB      PHE  96  13.233   1.821  -2.820
  605    HD1  PHE  96           1HD      PHE  96  12.579  -1.231  -3.861
  606    HD2  PHE  96           2HD      PHE  96  11.357   2.775  -4.917
  607    HE1  PHE  96           1HE      PHE  96  12.107  -1.977  -6.166
  608    HE2  PHE  96           2HE      PHE  96  10.894   2.015  -7.230
  609    HZ   PHE  96           HZ       PHE  96  11.258  -0.364  -7.858
  610    HA   PRO  97           HA       PRO  97  14.066   1.249   2.093
  611    HB2  PRO  97           1HB      PRO  97  15.793   3.293   0.674
  612    HB3  PRO  97           2HB      PRO  97  16.186   2.291   2.111
  613    HG2  PRO  97           1HG      PRO  97  17.066   1.517  -0.315
  614    HG3  PRO  97           2HG      PRO  97  16.313   0.300   0.769
  615    HD2  PRO  97           1HD      PRO  97  15.070   1.782  -1.555
  616    HD3  PRO  97           2HD      PRO  97  14.966   0.045  -1.138
  617    H    ARG  98           H        ARG  98  13.988   3.016   3.602
  618    HA   ARG  98           HA       ARG  98  12.056   5.153   2.840
  619    HB2  ARG  98           1HB      ARG  98  10.663   4.600   4.620
  620    HB3  ARG  98           2HB      ARG  98  11.037   3.065   3.854
  621    HG2  ARG  98           1HG      ARG  98  12.577   2.457   5.630
  622    HG3  ARG  98           2HG      ARG  98  12.451   4.050   6.379
  623    HD2  ARG  98           1HD      ARG  98  10.184   2.061   6.107
  624    HD3  ARG  98           2HD      ARG  98  11.109   2.393   7.583
  625    HE   ARG  98           HE       ARG  98  10.210   4.882   6.954
  626   HH11  ARG  98          1HH1      ARG  98   8.490   1.852   7.580
  627   HH12  ARG  98          2HH1      ARG  98   6.930   2.658   7.597
  628   HH21  ARG  98          1HH2      ARG  98   8.140   5.828   7.031
  629   HH22  ARG  98          2HH2      ARG  98   6.767   4.839   7.506
  630    H    ARG  99           H        ARG  99  11.763   6.850   4.449
  631    HA   ARG  99           HA       ARG  99  14.194   7.904   5.644
  632    HB2  ARG  99           1HB      ARG  99  12.284   9.240   4.762
  633    HB3  ARG  99           2HB      ARG  99  11.377   8.783   6.222
  634    HG2  ARG  99           1HG      ARG  99  13.142   9.795   7.634
  635    HG3  ARG  99           2HG      ARG  99  14.109  10.179   6.187
  636    HD2  ARG  99           1HD      ARG  99  12.353  11.647   5.346
  637    HD3  ARG  99           2HD      ARG  99  11.291  11.129   6.670
  638    HE   ARG  99           HE       ARG  99  13.675  12.206   7.791
  639   HH11  ARG  99          1HH1      ARG  99  10.843  13.415   6.045
  640   HH12  ARG  99          2HH1      ARG  99  10.966  14.997   6.758
  641   HH21  ARG  99          1HH2      ARG  99  13.773  14.265   8.675
  642   HH22  ARG  99          2HH2      ARG  99  12.603  15.468   8.225
  643    H    ALA 100           H        ALA 100  15.045   7.409   7.561
  644    HA   ALA 100           HA       ALA 100  13.622   6.563   9.941
  645    HB1  ALA 100           1HB      ALA 100  13.485   4.452   8.648
  646    HB2  ALA 100           2HB      ALA 100  15.237   4.502   8.351
  647    HB3  ALA 100           3HB      ALA 100  14.610   4.262   9.994
  648    H    GLN 101           H        GLN 101  15.272   5.849  11.655
  649    HA   GLN 101           HA       GLN 101  17.459   7.747  11.773
  650    HB2  GLN 101           1HB      GLN 101  16.108   7.060  13.727
  651    HB3  GLN 101           2HB      GLN 101  16.747   5.413  13.591
  652    HG2  GLN 101           1HG      GLN 101  19.050   6.325  14.017
  653    HG3  GLN 101           2HG      GLN 101  18.346   7.936  14.211
  654   HE21  GLN 101          2HE2      GLN 101  16.953   8.327  16.135
  655   HE22  GLN 101          1HE2      GLN 101  17.067   7.224  17.497
  656    HA   PRO 102           HA       PRO 102  20.383   4.973   9.783
  657    HB2  PRO 102           1HB      PRO 102  22.726   6.312  10.184
  658    HB3  PRO 102           2HB      PRO 102  21.444   6.893   9.080
  659    HG2  PRO 102           1HG      PRO 102  21.968   7.764  11.939
  660    HG3  PRO 102           2HG      PRO 102  21.667   8.790  10.502
  661    HD2  PRO 102           1HD      PRO 102  19.684   8.120  12.279
  662    HD3  PRO 102           2HD      PRO 102  19.364   8.322  10.532
  663    H    LYS 103           H        LYS 103  20.541   3.074  10.765
  664    HA   LYS 103           HA       LYS 103  22.483   2.564  12.919
  665    HB2  LYS 103           1HB      LYS 103  19.506   1.918  13.121
  666    HB3  LYS 103           2HB      LYS 103  20.727   1.122  14.097
  667    HG2  LYS 103           1HG      LYS 103  20.122   4.106  14.186
  668    HG3  LYS 103           2HG      LYS 103  19.521   2.892  15.305
  669    HD2  LYS 103           1HD      LYS 103  21.801   2.359  16.056
  670    HD3  LYS 103           2HD      LYS 103  22.483   3.479  14.879
  671    HE2  LYS 103           1HE      LYS 103  22.518   4.496  17.054
  672    HE3  LYS 103           2HE      LYS 103  21.436   5.390  15.983
  673    HZ1  LYS 103           3HZ      LYS 103  20.540   4.980  18.258
  674    HZ2  LYS 103           1HZ      LYS 103  19.556   4.443  17.079
  675    HZ3  LYS 103           2HZ      LYS 103  20.470   3.378  17.948
  676    H5'    G 104           H5'        G 104  -5.506  -0.391 -13.287
  677   H5''    G 104          H5"         G 104  -4.035  -0.269 -12.320
  678    H4'    G 104           H4'        G 104  -4.144   1.412 -14.123
  679    H3'    G 104           H3'        G 104  -3.272   1.889 -11.541
  680    H2'    G 104           H2'        G 104  -5.189   2.873 -10.706
  681   HO2'    G 104          HO2         G 104  -3.584   4.824 -11.910
  682    H1'    G 104           H1'        G 104  -5.778   4.330 -13.279
  683    H8     G 104           8H         G 104  -7.187   2.638 -10.136
  684    H1     G 104           1H         G 104 -11.536   5.704 -13.760
  685    H21    G 104           1H2        G 104 -10.542   6.367 -15.673
  686    H22    G 104           2H2        G 104  -8.850   5.989 -15.945
  687   HO5'    G 104          H5T         G 104  -5.620  -0.456 -10.810
  688    H5'    U 105           H5'        U 105  -1.592   3.016 -10.419
  689   H5''    U 105          H5"         U 105  -0.471   4.102 -11.244
  690    H4'    U 105           H4'        U 105   0.462   3.277  -9.157
  691    H3'    U 105           H3'        U 105   1.840   3.381 -11.527
  692    H2'    U 105           H2'        U 105   1.545   1.125 -12.095
  693   HO2'    U 105          HO2         U 105   4.005   1.626 -11.168
  694    H1'    U 105           H1'        U 105   2.065   0.299  -9.241
  695    H3     U 105           3H         U 105   1.751  -4.030 -10.654
  696    H5     U 105           5H         U 105  -1.479  -2.187 -12.570
  697    H6     U 105           6H         U 105  -0.808  -0.062 -11.584
  698    H5'    A 106           H5'        A 106   3.582   4.579  -7.253
  699   H5''    A 106          H5"         A 106   3.856   5.987  -8.276
  700    H4'    A 106           H4'        A 106   4.873   6.412  -6.177
  701    H3'    A 106           H3'        A 106   6.313   6.690  -8.497
  702    H2'    A 106           H2'        A 106   7.335   4.570  -8.458
  703   HO2'    A 106          HO2         A 106   8.986   6.458  -7.204
  704    H1'    A 106           H1'        A 106   7.875   4.772  -5.498
  705    H8     A 106           8H         A 106   6.813   2.379  -8.388
  706    H61    A 106           1H6        A 106   8.805  -1.976  -4.309
  707    H62    A 106           2H6        A 106   8.257  -1.771  -5.975
  708    H2     A 106           2H         A 106   9.002   1.847  -2.357
  709    H5'    G 107           H5'        G 107   7.706   8.811  -3.970
  710   H5''    G 107          H5"         G 107   7.153   7.140  -3.828
  711    H4'    G 107           H4'        G 107   5.467   9.226  -2.478
  712    H3'    G 107           H3'        G 107   8.252   8.464  -1.551
  713    H2'    G 107           H2'        G 107   7.448   8.710   0.662
  714   HO2'    G 107          HO2         G 107   6.246  10.767   0.000
  715    H1'    G 107           H1'        G 107   4.816   7.836   0.038
  716    H8     G 107           8H         G 107   4.603   6.125   1.776
  717    H1     G 107           1H         G 107  10.601   3.903   1.040
  718    H21    G 107           1H2        G 107  11.636   5.085  -0.472
  719    H22    G 107           2H2        G 107  10.793   6.329  -1.398
  720    H5'    U 108           H5'        U 108  10.201  12.041   1.402
  721   H5''    U 108          H5"         U 108  11.244  11.025   0.401
  722    H4'    U 108           H4'        U 108  11.587  10.411   2.666
  723    H3'    U 108           H3'        U 108  10.567   8.475   0.787
  724   HO3'    U 108          H3T         U 108  12.029   7.175   2.007
  725    H2'    U 108           H2'        U 108   8.755   7.826   2.013
  726   HO2'    U 108          HO2         U 108   9.249   6.373   3.788
  727    H1'    U 108           H1'        U 108   9.921   8.753   4.613
  728    H3     U 108           3H         U 108   5.913   7.548   6.417
  729    H5     U 108           5H         U 108   4.853  10.142   3.309
  730    H6     U 108           6H         U 108   7.187  10.196   2.597
  Start of MODEL   15
    1    H    CYS  20           1H       CYS  20  10.490  -4.429   6.743
    2    HA   CYS  20           HA       CYS  20   8.997  -6.298   6.469
    3    HB2  CYS  20           1HB      CYS  20   7.722  -5.314   9.074
    4    HB3  CYS  20           2HB      CYS  20   7.151  -6.635   8.074
    5    HG   CYS  20           HG       CYS  20   9.360  -8.094   8.261
    6    H    LYS  21           H        LYS  21   8.828  -4.643   4.645
    7    HA   LYS  21           HA       LYS  21   6.265  -3.177   4.814
    8    HB2  LYS  21           1HB      LYS  21   8.076  -1.662   5.682
    9    HB3  LYS  21           2HB      LYS  21   8.863  -1.745   4.103
   10    HG2  LYS  21           1HG      LYS  21   6.931  -0.696   3.031
   11    HG3  LYS  21           2HG      LYS  21   5.975  -0.855   4.506
   12    HD2  LYS  21           1HD      LYS  21   7.509   0.744   5.648
   13    HD3  LYS  21           2HD      LYS  21   8.402   0.939   4.124
   14    HE2  LYS  21           1HE      LYS  21   6.413   1.754   2.983
   15    HE3  LYS  21           2HE      LYS  21   5.382   1.361   4.377
   16    HZ1  LYS  21           3HZ      LYS  21   6.062   3.753   4.096
   17    HZ2  LYS  21           1HZ      LYS  21   6.300   3.111   5.600
   18    HZ3  LYS  21           2HZ      LYS  21   7.567   3.327   4.539
   19    H    MET  22           H        MET  22   5.272  -2.644   2.955
   20    HA   MET  22           HA       MET  22   6.339  -3.716   0.389
   21    HB2  MET  22           1HB      MET  22   3.606  -4.293   1.608
   22    HB3  MET  22           2HB      MET  22   4.158  -4.786   0.003
   23    HG2  MET  22           1HG      MET  22   6.070  -6.025   1.148
   24    HG3  MET  22           2HG      MET  22   5.299  -5.645   2.682
   25    HE1  MET  22           3HE      MET  22   4.066  -8.688  -0.485
   26    HE2  MET  22           1HE      MET  22   3.925  -6.964  -0.897
   27    HE3  MET  22           2HE      MET  22   5.498  -7.645  -0.424
   28    H    PHE  23           H        PHE  23   5.803  -2.700  -1.361
   29    HA   PHE  23           HA       PHE  23   4.212  -0.187  -1.376
   30    HB2  PHE  23           1HB      PHE  23   6.304  -0.024  -2.540
   31    HB3  PHE  23           2HB      PHE  23   6.103  -1.596  -3.298
   32    HD1  PHE  23           2HD      PHE  23   4.516  -1.918  -5.185
   33    HD2  PHE  23           1HD      PHE  23   5.270   1.975  -3.514
   34    HE1  PHE  23           2HE      PHE  23   3.557  -0.869  -7.213
   35    HE2  PHE  23           1HE      PHE  23   4.324   3.012  -5.548
   36    HZ   PHE  23           HZ       PHE  23   3.459   1.613  -7.398
   37    H    ILE  24           H        ILE  24   2.200  -0.164  -2.304
   38    HA   ILE  24           HA       ILE  24   1.043  -2.813  -3.144
   39    HB   ILE  24           HB       ILE  24  -0.490  -0.544  -1.856
   40   HG12  ILE  24          1HG1      ILE  24   1.092  -1.122  -0.154
   41   HG13  ILE  24          2HG1      ILE  24  -0.506  -1.711   0.245
   42   HG21  ILE  24          1HG2      ILE  24  -1.754  -2.217  -3.176
   43   HG22  ILE  24          2HG2      ILE  24  -1.097  -3.516  -2.174
   44   HG23  ILE  24          3HG2      ILE  24  -2.150  -2.288  -1.451
   45   HD11  ILE  24          3HD1      ILE  24   1.301  -3.295   0.869
   46   HD12  ILE  24          1HD1      ILE  24   0.158  -4.017  -0.266
   47   HD13  ILE  24          2HD1      ILE  24   1.751  -3.468  -0.828
   48    H    GLY  25           H        GLY  25   1.272  -2.630  -5.353
   49    HA2  GLY  25           1HA      GLY  25   0.447  -0.165  -6.765
   50    HA3  GLY  25           2HA      GLY  25   1.181  -1.621  -7.464
   51    H    GLY  26           H        GLY  26  -0.972  -0.248  -8.616
   52    HA2  GLY  26           1HA      GLY  26  -2.740  -0.932  -9.917
   53    HA3  GLY  26           2HA      GLY  26  -2.625  -2.555  -9.200
   54    H    LEU  27           H        LEU  27  -3.116   0.174  -7.069
   55    HA   LEU  27           HA       LEU  27  -5.590  -0.883  -6.000
   56    HB2  LEU  27           1HB      LEU  27  -4.297   1.861  -5.681
   57    HB3  LEU  27           2HB      LEU  27  -5.653   1.272  -4.748
   58    HG   LEU  27           HG       LEU  27  -2.820   0.171  -4.650
   59   HD11  LEU  27          1HD1      LEU  27  -3.303   2.375  -3.522
   60   HD12  LEU  27          2HD1      LEU  27  -4.546   1.577  -2.559
   61   HD13  LEU  27          3HD1      LEU  27  -2.842   1.092  -2.387
   62   HD21  LEU  27          3HD2      LEU  27  -3.835  -1.137  -2.655
   63   HD22  LEU  27          1HD2      LEU  27  -5.388  -0.902  -3.478
   64   HD23  LEU  27          2HD2      LEU  27  -4.048  -1.739  -4.299
   65    H    SER  28           H        SER  28  -7.567   0.465  -5.763
   66    HA   SER  28           HA       SER  28  -8.573   1.394  -8.385
   67    HB2  SER  28           1HB      SER  28  -9.867   0.027  -6.573
   68    HB3  SER  28           2HB      SER  28  -9.995   1.563  -5.715
   69    HG   SER  28           HG       SER  28 -11.778   1.208  -7.022
   70    H    TRP  29           H        TRP  29  -9.204   3.600  -8.771
   71    HA   TRP  29           HA       TRP  29  -7.655   5.653  -7.585
   72    HB2  TRP  29           1HB      TRP  29 -10.227   5.760  -9.161
   73    HB3  TRP  29           2HB      TRP  29  -9.324   7.188  -8.667
   74    HD1  TRP  29           HD       TRP  29  -6.400   5.763  -9.358
   75    HE1  TRP  29           1HE      TRP  29  -5.657   5.717 -11.782
   76    HE3  TRP  29           3HE      TRP  29 -10.958   6.460 -11.607
   77    HZ2  TRP  29           2HZ      TRP  29  -6.841   6.165 -14.397
   78    HZ3  TRP  29           3HZ      TRP  29 -11.112   6.653 -14.075
   79    HH2  TRP  29           HH       TRP  29  -9.064   6.516 -15.478
   80    H    GLN  30           H        GLN  30 -10.449   4.183  -6.287
   81    HA   GLN  30           HA       GLN  30 -10.816   6.366  -4.280
   82    HB2  GLN  30           1HB      GLN  30 -13.090   5.578  -4.021
   83    HB3  GLN  30           2HB      GLN  30 -12.760   5.948  -5.712
   84    HG2  GLN  30           1HG      GLN  30 -12.463   3.520  -6.190
   85    HG3  GLN  30           2HG      GLN  30 -12.769   3.147  -4.494
   86   HE21  GLN  30          2HE2      GLN  30 -14.387   1.739  -5.777
   87   HE22  GLN  30          1HE2      GLN  30 -15.988   2.458  -6.013
   88    H    THR  31           H        THR  31  -9.021   3.620  -4.374
   89    HA   THR  31           HA       THR  31  -9.797   2.299  -1.917
   90    HB   THR  31           HB       THR  31  -7.075   2.466  -3.282
   91    HG1  THR  31           1HG      THR  31  -9.121   0.489  -3.377
   92   HG21  THR  31          3HG2      THR  31  -6.717   0.261  -2.086
   93   HG22  THR  31          1HG2      THR  31  -6.755   1.658  -1.013
   94   HG23  THR  31          2HG2      THR  31  -8.173   0.590  -1.133
   95    H    THR  32           H        THR  32  -9.171   2.673   0.174
   96    HA   THR  32           HA       THR  32  -7.659   5.178   0.790
   97    HB   THR  32           HB       THR  32  -8.953   5.333   2.848
   98    HG1  THR  32           1HG      THR  32 -10.769   3.867   3.045
   99   HG21  THR  32          3HG2      THR  32 -11.116   5.944   1.962
  100   HG22  THR  32          1HG2      THR  32  -9.881   6.389   0.771
  101   HG23  THR  32          2HG2      THR  32 -10.879   4.940   0.516
  102    H    GLN  33           H        GLN  33  -6.414   5.155   2.756
  103    HA   GLN  33           HA       GLN  33  -4.841   2.746   3.059
  104    HB2  GLN  33           1HB      GLN  33  -3.628   4.056   4.791
  105    HB3  GLN  33           2HB      GLN  33  -3.709   4.724   3.171
  106    HG2  GLN  33           1HG      GLN  33  -5.551   6.281   3.967
  107    HG3  GLN  33           2HG      GLN  33  -5.192   5.726   5.609
  108   HE21  GLN  33          2HE2      GLN  33  -3.910   7.344   6.613
  109   HE22  GLN  33          1HE2      GLN  33  -2.632   8.213   5.779
  110    H    GLU  34           H        GLU  34  -7.628   3.914   4.787
  111    HA   GLU  34           HA       GLU  34  -7.380   2.002   6.990
  112    HB2  GLU  34           1HB      GLU  34  -9.799   3.452   5.833
  113    HB3  GLU  34           2HB      GLU  34  -9.821   2.428   7.276
  114    HG2  GLU  34           1HG      GLU  34  -8.143   3.918   8.357
  115    HG3  GLU  34           2HG      GLU  34  -8.177   4.976   6.943
  116    H    GLY  35           H        GLY  35  -8.839   2.003   3.716
  117    HA2  GLY  35           1HA      GLY  35  -9.966  -0.637   3.787
  118    HA3  GLY  35           2HA      GLY  35  -9.539   0.311   2.343
  119    H    LEU  36           H        LEU  36  -6.679   0.561   2.945
  120    HA   LEU  36           HA       LEU  36  -5.664  -2.002   2.168
  121    HB2  LEU  36           1HB      LEU  36  -4.105   0.223   3.578
  122    HB3  LEU  36           2HB      LEU  36  -3.431  -1.159   2.744
  123    HG   LEU  36           HG       LEU  36  -4.820   1.224   1.510
  124   HD11  LEU  36          1HD1      LEU  36  -2.422   1.430   2.115
  125   HD12  LEU  36          2HD1      LEU  36  -2.057   0.019   1.100
  126   HD13  LEU  36          3HD1      LEU  36  -2.680   1.503   0.360
  127   HD21  LEU  36          3HD2      LEU  36  -4.445   0.140  -0.693
  128   HD22  LEU  36          1HD2      LEU  36  -4.043  -1.377   0.140
  129   HD23  LEU  36          2HD2      LEU  36  -5.671  -0.663   0.282
  130    H    ARG  37           H        ARG  37  -5.589  -0.487   5.465
  131    HA   ARG  37           HA       ARG  37  -4.538  -2.787   6.740
  132    HB2  ARG  37           1HB      ARG  37  -4.770  -0.591   7.836
  133    HB3  ARG  37           2HB      ARG  37  -6.535  -0.751   7.840
  134    HG2  ARG  37           1HG      ARG  37  -6.389  -2.727   9.322
  135    HG3  ARG  37           2HG      ARG  37  -4.621  -2.677   9.216
  136    HD2  ARG  37           1HD      ARG  37  -4.718  -0.374  10.223
  137    HD3  ARG  37           2HD      ARG  37  -6.462  -0.595  10.427
  138    HE   ARG  37           HE       ARG  37  -4.699  -2.668  11.641
  139   HH11  ARG  37          1HH1      ARG  37  -6.486   0.327  12.296
  140   HH12  ARG  37          2HH1      ARG  37  -6.649  -0.047  13.985
  141   HH21  ARG  37          1HH2      ARG  37  -5.043  -3.131  13.788
  142   HH22  ARG  37          2HH2      ARG  37  -5.814  -1.955  14.823
  143    H    GLU  38           H        GLU  38  -7.918  -2.015   5.975
  144    HA   GLU  38           HA       GLU  38  -9.164  -4.175   7.223
  145    HB2  GLU  38           1HB      GLU  38 -10.042  -2.055   5.782
  146    HB3  GLU  38           2HB      GLU  38 -10.237  -3.303   4.549
  147    HG2  GLU  38           1HG      GLU  38 -11.532  -4.650   6.235
  148    HG3  GLU  38           2HG      GLU  38 -11.328  -3.317   7.383
  149    H    TYR  39           H        TYR  39  -7.532  -4.142   4.056
  150    HA   TYR  39           HA       TYR  39  -8.248  -6.942   3.465
  151    HB2  TYR  39           1HB      TYR  39  -8.145  -5.206   1.720
  152    HB3  TYR  39           2HB      TYR  39  -6.428  -4.974   2.030
  153    HD1  TYR  39           1HD      TYR  39  -8.958  -7.578   1.083
  154    HD2  TYR  39           2HD      TYR  39  -4.828  -6.356   0.916
  155    HE1  TYR  39           1HE      TYR  39  -8.441  -9.540  -0.346
  156    HE2  TYR  39           2HE      TYR  39  -4.306  -8.299  -0.536
  157    HH   TYR  39           HH       TYR  39  -6.820 -10.731  -1.415
  158    H    PHE  40           H        PHE  40  -5.322  -5.120   4.405
  159    HA   PHE  40           HA       PHE  40  -3.644  -7.459   4.174
  160    HB2  PHE  40           1HB      PHE  40  -3.179  -4.567   4.861
  161    HB3  PHE  40           2HB      PHE  40  -1.907  -5.730   5.103
  162    HD1  PHE  40           2HD      PHE  40  -1.572  -7.463   3.021
  163    HD2  PHE  40           1HD      PHE  40  -3.359  -3.557   2.694
  164    HE1  PHE  40           2HE      PHE  40  -1.203  -7.490   0.571
  165    HE2  PHE  40           1HE      PHE  40  -2.997  -3.592   0.253
  166    HZ   PHE  40           HZ       PHE  40  -1.918  -5.558  -0.821
  167    H    GLY  41           H        GLY  41  -5.398  -6.132   6.859
  168    HA2  GLY  41           1HA      GLY  41  -3.991  -7.374   9.008
  169    HA3  GLY  41           2HA      GLY  41  -5.713  -6.949   8.981
  170    H    GLN  42           H        GLN  42  -5.698  -8.899   6.450
  171    HA   GLN  42           HA       GLN  42  -6.503 -11.344   7.812
  172    HB2  GLN  42           1HB      GLN  42  -5.848 -10.833   4.874
  173    HB3  GLN  42           2HB      GLN  42  -6.698 -12.236   5.524
  174    HG2  GLN  42           1HG      GLN  42  -8.550 -10.757   6.295
  175    HG3  GLN  42           2HG      GLN  42  -7.710  -9.364   5.607
  176   HE21  GLN  42          2HE2      GLN  42  -7.225  -9.461   3.205
  177   HE22  GLN  42          1HE2      GLN  42  -8.406 -10.281   2.184
  178    H    PHE  43           H        PHE  43  -3.485 -10.145   6.454
  179    HA   PHE  43           HA       PHE  43  -2.201 -12.823   6.557
  180    HB2  PHE  43           1HB      PHE  43  -1.111 -10.197   5.479
  181    HB3  PHE  43           2HB      PHE  43  -0.451 -11.797   5.245
  182    HD1  PHE  43           1HD      PHE  43  -1.481 -13.374   3.650
  183    HD2  PHE  43           2HD      PHE  43  -3.143  -9.469   4.265
  184    HE1  PHE  43           1HE      PHE  43  -2.848 -13.638   1.595
  185    HE2  PHE  43           2HE      PHE  43  -4.511  -9.709   2.209
  186    HZ   PHE  43           HZ       PHE  43  -4.374 -11.807   0.876
  187    H    GLY  44           H        GLY  44  -2.008  -9.595   8.010
  188    HA2  GLY  44           1HA      GLY  44  -1.115 -10.490  10.540
  189    HA3  GLY  44           2HA      GLY  44   0.292  -9.898   9.671
  190    H    GLU  45           H        GLU  45  -0.900  -8.705  12.063
  191    HA   GLU  45           HA       GLU  45  -2.442  -6.386  11.372
  192    HB2  GLU  45           1HB      GLU  45  -2.378  -7.320  13.640
  193    HB3  GLU  45           2HB      GLU  45  -0.665  -6.920  13.782
  194    HG2  GLU  45           1HG      GLU  45  -2.073  -5.326  14.984
  195    HG3  GLU  45           2HG      GLU  45  -1.168  -4.524  13.712
  196    H    VAL  46           H        VAL  46  -1.806  -4.192  11.234
  197    HA   VAL  46           HA       VAL  46   0.825  -3.932   9.878
  198    HB   VAL  46           HB       VAL  46  -0.124  -2.251   8.506
  199   HG11  VAL  46          1HG1      VAL  46  -0.458  -4.629   7.843
  200   HG12  VAL  46          2HG1      VAL  46  -2.066  -4.597   8.604
  201   HG13  VAL  46          3HG1      VAL  46  -1.722  -3.557   7.215
  202   HG21  VAL  46          3HG2      VAL  46  -2.622  -1.806   8.588
  203   HG22  VAL  46          1HG2      VAL  46  -2.580  -2.435  10.239
  204   HG23  VAL  46          2HG2      VAL  46  -1.616  -1.002   9.796
  205    H    LYS  47           H        LYS  47   2.189  -2.405  10.271
  206    HA   LYS  47           HA       LYS  47   2.094  -0.901  12.808
  207    HB2  LYS  47           1HB      LYS  47   3.966  -2.372  12.066
  208    HB3  LYS  47           2HB      LYS  47   4.259  -1.307  10.692
  209    HG2  LYS  47           1HG      LYS  47   4.835   0.546  12.207
  210    HG3  LYS  47           2HG      LYS  47   4.438  -0.450  13.611
  211    HD2  LYS  47           1HD      LYS  47   6.675  -0.991  11.605
  212    HD3  LYS  47           2HD      LYS  47   6.871  -0.278  13.213
  213    HE2  LYS  47           1HE      LYS  47   5.907  -2.382  14.217
  214    HE3  LYS  47           2HE      LYS  47   5.869  -3.097  12.597
  215    HZ1  LYS  47           3HZ      LYS  47   7.875  -3.729  13.796
  216    HZ2  LYS  47           1HZ      LYS  47   8.284  -2.832  12.492
  217    HZ3  LYS  47           2HZ      LYS  47   8.321  -2.171  13.988
  218    H    GLU  48           H        GLU  48   1.707  -0.309   9.417
  219    HA   GLU  48           HA       GLU  48   1.016   2.495   9.650
  220    HB2  GLU  48           1HB      GLU  48   3.366   2.878   9.793
  221    HB3  GLU  48           2HB      GLU  48   3.726   1.637   8.619
  222    HG2  GLU  48           1HG      GLU  48   2.787   3.070   6.809
  223    HG3  GLU  48           2HG      GLU  48   2.516   4.344   8.012
  224    H    CYS  49           H        CYS  49  -0.198   3.072   7.870
  225    HA   CYS  49           HA       CYS  49  -0.195   1.430   5.405
  226    HB2  CYS  49           1HB      CYS  49  -2.554   1.786   7.287
  227    HB3  CYS  49           2HB      CYS  49  -2.817   1.647   5.536
  228    HG   CYS  49           HG       CYS  49  -0.754  -0.354   7.089
  229    H    LEU  50           H        LEU  50  -0.451   2.685   3.603
  230    HA   LEU  50           HA       LEU  50  -1.182   5.566   3.882
  231    HB2  LEU  50           1HB      LEU  50   1.409   4.377   2.853
  232    HB3  LEU  50           2HB      LEU  50   0.894   5.999   2.434
  233    HG   LEU  50           HG       LEU  50   1.500   5.065   5.266
  234   HD11  LEU  50          1HD1      LEU  50   3.484   5.140   3.778
  235   HD12  LEU  50          2HD1      LEU  50   3.085   6.814   3.322
  236   HD13  LEU  50          3HD1      LEU  50   3.541   6.421   4.997
  237   HD21  LEU  50          3HD2      LEU  50   1.458   7.518   5.769
  238   HD22  LEU  50          1HD2      LEU  50   0.884   7.834   4.116
  239   HD23  LEU  50          2HD2      LEU  50  -0.129   6.929   5.265
  240    H    VAL  51           H        VAL  51  -2.072   6.474   2.118
  241    HA   VAL  51           HA       VAL  51  -1.779   5.157  -0.554
  242    HB   VAL  51           HB       VAL  51  -4.374   6.240   0.619
  243   HG11  VAL  51          1HG1      VAL  51  -4.178   7.139  -1.662
  244   HG12  VAL  51          2HG1      VAL  51  -3.731   5.534  -2.284
  245   HG13  VAL  51          3HG1      VAL  51  -5.359   5.837  -1.643
  246   HG21  VAL  51          3HG2      VAL  51  -5.260   4.024  -0.060
  247   HG22  VAL  51          1HG2      VAL  51  -3.649   3.548  -0.631
  248   HG23  VAL  51          2HG2      VAL  51  -3.935   3.855   1.095
  249    H    MET  52           H        MET  52  -1.093   6.498  -2.050
  250    HA   MET  52           HA       MET  52  -0.269   9.193  -1.180
  251    HB2  MET  52           1HB      MET  52   0.514   7.382  -3.490
  252    HB3  MET  52           2HB      MET  52   1.211   8.988  -3.205
  253    HG2  MET  52           1HG      MET  52   1.318   6.786  -1.113
  254    HG3  MET  52           2HG      MET  52   2.561   7.060  -2.312
  255    HE1  MET  52           3HE      MET  52   2.163   9.044   1.648
  256    HE2  MET  52           1HE      MET  52   0.734   8.410   0.796
  257    HE3  MET  52           2HE      MET  52   2.125   7.344   1.120
  258    H    ARG  53           H        ARG  53  -2.944   9.274  -1.539
  259    HA   ARG  53           HA       ARG  53  -3.762   9.793  -4.201
  260    HB2  ARG  53           1HB      ARG  53  -5.897  10.447  -3.312
  261    HB3  ARG  53           2HB      ARG  53  -5.313   9.024  -2.458
  262    HG2  ARG  53           1HG      ARG  53  -4.631  10.465  -0.537
  263    HG3  ARG  53           2HG      ARG  53  -5.270  11.880  -1.404
  264    HD2  ARG  53           1HD      ARG  53  -7.507  10.773  -1.506
  265    HD3  ARG  53           2HD      ARG  53  -6.860   9.427  -0.546
  266    HE   ARG  53           HE       ARG  53  -6.300  11.781   0.885
  267   HH11  ARG  53          1HH1      ARG  53  -9.221  10.035  -0.094
  268   HH12  ARG  53          2HH1      ARG  53 -10.139  10.639   1.253
  269   HH21  ARG  53          1HH2      ARG  53  -7.544  12.515   2.600
  270   HH22  ARG  53          2HH2      ARG  53  -9.200  12.018   2.756
  271    H    ASP  54           H        ASP  54  -4.455  11.620  -5.267
  272    HA   ASP  54           HA       ASP  54  -2.979  14.099  -4.869
  273    HB2  ASP  54           1HB      ASP  54  -3.481  13.256  -7.098
  274    HB3  ASP  54           2HB      ASP  54  -5.207  13.226  -6.747
  275    HA   PRO  55           HA       PRO  55  -6.134  15.507  -2.045
  276    HB2  PRO  55           1HB      PRO  55  -5.244  18.011  -1.407
  277    HB3  PRO  55           2HB      PRO  55  -4.373  16.520  -0.935
  278    HG2  PRO  55           1HG      PRO  55  -3.834  18.309  -3.328
  279    HG3  PRO  55           2HG      PRO  55  -2.660  17.695  -2.122
  280    HD2  PRO  55           1HD      PRO  55  -3.049  16.470  -4.535
  281    HD3  PRO  55           2HD      PRO  55  -2.693  15.534  -3.050
  282    H    LEU  56           H        LEU  56  -5.822  16.987  -5.189
  283    HA   LEU  56           HA       LEU  56  -8.119  18.823  -4.783
  284    HB2  LEU  56           1HB      LEU  56  -6.175  18.248  -7.045
  285    HB3  LEU  56           2HB      LEU  56  -7.702  19.048  -7.353
  286    HG   LEU  56           HG       LEU  56  -7.141  20.865  -5.796
  287   HD11  LEU  56          1HD1      LEU  56  -5.618  19.816  -4.211
  288   HD12  LEU  56          2HD1      LEU  56  -4.449  19.458  -5.509
  289   HD13  LEU  56          3HD1      LEU  56  -4.773  21.136  -5.019
  290   HD21  LEU  56          3HD2      LEU  56  -5.430  21.917  -7.227
  291   HD22  LEU  56          1HD2      LEU  56  -5.008  20.330  -7.911
  292   HD23  LEU  56          2HD2      LEU  56  -6.615  21.034  -8.204
  293    H    THR  57           H        THR  57  -7.313  15.820  -6.533
  294    HA   THR  57           HA       THR  57 -10.146  15.555  -7.456
  295    HB   THR  57           HB       THR  57  -9.256  14.029  -9.126
  296    HG1  THR  57           1HG      THR  57  -6.709  14.654  -8.038
  297   HG21  THR  57          3HG2      THR  57  -7.942  15.559 -10.470
  298   HG22  THR  57          1HG2      THR  57  -9.232  16.457  -9.650
  299   HG23  THR  57          2HG2      THR  57  -7.559  16.561  -9.057
  300    H    LYS  58           H        LYS  58  -8.065  14.238  -5.140
  301    HA   LYS  58           HA       LYS  58  -8.155  12.584  -3.657
  302    HB2  LYS  58           1HB      LYS  58 -11.077  12.478  -4.472
  303    HB3  LYS  58           2HB      LYS  58 -10.395  11.426  -3.252
  304    HG2  LYS  58           1HG      LYS  58 -11.470  13.331  -2.237
  305    HG3  LYS  58           2HG      LYS  58  -9.752  13.286  -1.846
  306    HD2  LYS  58           1HD      LYS  58  -9.287  15.136  -3.332
  307    HD3  LYS  58           2HD      LYS  58 -10.932  15.074  -4.015
  308    HE2  LYS  58           1HE      LYS  58 -11.876  15.720  -1.840
  309    HE3  LYS  58           2HE      LYS  58 -10.270  15.683  -1.100
  310    HZ1  LYS  58           3HZ      LYS  58 -10.950  17.941  -1.722
  311    HZ2  LYS  58           1HZ      LYS  58  -9.600  17.495  -2.533
  312    HZ3  LYS  58           2HZ      LYS  58 -11.050  17.517  -3.301
  313    H    ARG  59           H        ARG  59  -8.017  11.999  -6.815
  314    HA   ARG  59           HA       ARG  59  -8.165   9.183  -7.206
  315    HB2  ARG  59           1HB      ARG  59  -6.328  11.327  -8.356
  316    HB3  ARG  59           2HB      ARG  59  -6.343   9.653  -8.918
  317    HG2  ARG  59           1HG      ARG  59  -8.668   9.813  -9.607
  318    HG3  ARG  59           2HG      ARG  59  -8.808  11.454  -8.947
  319    HD2  ARG  59           1HD      ARG  59  -7.178  12.309 -10.536
  320    HD3  ARG  59           2HD      ARG  59  -6.832  10.690 -11.142
  321    HE   ARG  59           HE       ARG  59  -9.179  12.373 -11.726
  322   HH11  ARG  59          1HH1      ARG  59  -7.835   9.117 -12.019
  323   HH12  ARG  59          2HH1      ARG  59  -8.954   8.661 -13.266
  324   HH21  ARG  59          1HH2      ARG  59 -10.586  11.731 -13.356
  325   HH22  ARG  59          2HH2      ARG  59 -10.473  10.132 -14.027
  326    H    SER  60           H        SER  60  -7.138   7.605  -6.206
  327    HA   SER  60           HA       SER  60  -5.059   7.864  -4.306
  328    HB2  SER  60           1HB      SER  60  -5.110   5.472  -4.234
  329    HB3  SER  60           2HB      SER  60  -6.767   6.021  -4.566
  330    HG   SER  60           HG       SER  60  -6.368   4.430  -6.024
  331    H    ARG  61           H        ARG  61  -4.633   8.093  -7.638
  332    HA   ARG  61           HA       ARG  61  -2.949   7.916  -9.127
  333    HB2  ARG  61           1HB      ARG  61  -1.052   7.684  -6.750
  334    HB3  ARG  61           2HB      ARG  61  -0.579   7.857  -8.431
  335    HG2  ARG  61           1HG      ARG  61  -1.691  10.057  -8.568
  336    HG3  ARG  61           2HG      ARG  61  -2.216   9.906  -6.888
  337    HD2  ARG  61           1HD      ARG  61  -0.230  11.307  -6.977
  338    HD3  ARG  61           2HD      ARG  61   0.133   9.792  -6.142
  339    HE   ARG  61           HE       ARG  61   0.771   9.941  -9.031
  340   HH11  ARG  61          1HH1      ARG  61   2.148  10.158  -5.744
  341   HH12  ARG  61          2HH1      ARG  61   3.717   9.619  -6.343
  342   HH21  ARG  61          1HH2      ARG  61   2.907   9.302  -9.604
  343   HH22  ARG  61          2HH2      ARG  61   4.105   9.198  -8.319
  344    H    GLY  62           H        GLY  62  -4.131   5.421  -7.466
  345    HA2  GLY  62           1HA      GLY  62  -4.306   3.204  -8.038
  346    HA3  GLY  62           2HA      GLY  62  -3.034   3.408  -9.264
  347    H    PHE  63           H        PHE  63  -2.160   4.428  -6.008
  348    HA   PHE  63           HA       PHE  63  -1.212   1.806  -5.249
  349    HB2  PHE  63           1HB      PHE  63   1.090   2.029  -5.496
  350    HB3  PHE  63           2HB      PHE  63   0.471   2.628  -7.012
  351    HD1  PHE  63           1HD      PHE  63   0.356   5.191  -7.357
  352    HD2  PHE  63           2HD      PHE  63   2.356   3.370  -4.000
  353    HE1  PHE  63           1HE      PHE  63   1.518   7.326  -6.883
  354    HE2  PHE  63           2HE      PHE  63   3.560   5.487  -3.575
  355    HZ   PHE  63           HZ       PHE  63   3.122   7.477  -4.959
  356    H    GLY  64           H        GLY  64   0.043   1.704  -3.329
  357    HA2  GLY  64           1HA      GLY  64   0.355   4.043  -1.585
  358    HA3  GLY  64           2HA      GLY  64  -0.830   2.883  -1.020
  359    H    PHE  65           H        PHE  65   0.480   2.519   0.819
  360    HA   PHE  65           HA       PHE  65   2.638   0.518   0.473
  361    HB2  PHE  65           1HB      PHE  65   2.949   3.187   1.894
  362    HB3  PHE  65           2HB      PHE  65   3.948   1.808   2.263
  363    HD1  PHE  65           1HD      PHE  65   3.199   4.394  -0.301
  364    HD2  PHE  65           2HD      PHE  65   5.689   1.033   0.798
  365    HE1  PHE  65           1HE      PHE  65   4.906   5.102  -1.937
  366    HE2  PHE  65           2HE      PHE  65   7.384   1.758  -0.845
  367    HZ   PHE  65           HZ       PHE  65   6.999   3.819  -2.210
  368    H    VAL  66           H        VAL  66   2.903  -0.842   2.232
  369    HA   VAL  66           HA       VAL  66   1.350  -0.336   4.725
  370    HB   VAL  66           HB       VAL  66   1.149  -2.922   3.127
  371   HG11  VAL  66          1HG1      VAL  66   1.290  -3.509   5.497
  372   HG12  VAL  66          2HG1      VAL  66   0.115  -2.250   5.915
  373   HG13  VAL  66          3HG1      VAL  66  -0.386  -3.668   4.969
  374   HG21  VAL  66          3HG2      VAL  66  -1.291  -2.434   3.154
  375   HG22  VAL  66          1HG2      VAL  66  -0.962  -0.870   3.924
  376   HG23  VAL  66          2HG2      VAL  66  -0.377  -1.191   2.301
  377    H    THR  67           H        THR  67   2.475  -0.752   6.463
  378    HA   THR  67           HA       THR  67   4.976  -2.413   6.377
  379    HB   THR  67           HB       THR  67   4.229  -0.359   8.469
  380    HG1  THR  67           1HG      THR  67   5.292   1.149   7.243
  381   HG21  THR  67          3HG2      THR  67   6.622  -0.366   8.966
  382   HG22  THR  67          1HG2      THR  67   6.009  -2.029   9.059
  383   HG23  THR  67          2HG2      THR  67   6.928  -1.507   7.642
  384    H    PHE  68           H        PHE  68   5.079  -4.117   7.795
  385    HA   PHE  68           HA       PHE  68   2.552  -4.799   9.235
  386    HB2  PHE  68           1HB      PHE  68   4.742  -6.516   8.057
  387    HB3  PHE  68           2HB      PHE  68   3.433  -7.129   9.058
  388    HD1  PHE  68           2HD      PHE  68   4.174  -5.454   5.797
  389    HD2  PHE  68           1HD      PHE  68   1.237  -7.511   8.195
  390    HE1  PHE  68           2HE      PHE  68   2.711  -5.690   3.807
  391    HE2  PHE  68           1HE      PHE  68  -0.227  -7.734   6.205
  392    HZ   PHE  68           HZ       PHE  68   0.515  -6.829   4.006
  393    H    MET  69           H        MET  69   2.596  -5.760  11.274
  394    HA   MET  69           HA       MET  69   4.669  -4.929  13.147
  395    HB2  MET  69           1HB      MET  69   2.282  -6.805  13.395
  396    HB3  MET  69           2HB      MET  69   3.313  -6.327  14.742
  397    HG2  MET  69           1HG      MET  69   1.660  -4.409  13.053
  398    HG3  MET  69           2HG      MET  69   1.231  -5.032  14.642
  399    HE1  MET  69           3HE      MET  69   1.842  -1.422  15.688
  400    HE2  MET  69           1HE      MET  69   0.900  -2.156  14.371
  401    HE3  MET  69           2HE      MET  69   0.900  -2.898  15.983
  402    H    ASP  70           H        ASP  70   4.604  -7.468  10.954
  403    HA   ASP  70           HA       ASP  70   6.874  -8.878  12.106
  404    HB2  ASP  70           1HB      ASP  70   5.737 -11.069  12.175
  405    HB3  ASP  70           2HB      ASP  70   5.095  -9.949  13.363
  406    H    GLN  71           H        GLN  71   7.769 -10.484  10.646
  407    HA   GLN  71           HA       GLN  71   7.475  -9.714   7.848
  408    HB2  GLN  71           1HB      GLN  71   9.633 -10.278   9.050
  409    HB3  GLN  71           2HB      GLN  71   9.121 -11.953   9.098
  410    HG2  GLN  71           1HG      GLN  71  10.702 -11.592   7.275
  411    HG3  GLN  71           2HG      GLN  71   9.143 -12.088   6.646
  412   HE21  GLN  71          2HE2      GLN  71  10.164 -11.187   4.585
  413   HE22  GLN  71          1HE2      GLN  71   9.981  -9.462   4.308
  414    H    ALA  72           H        ALA  72   6.142 -12.237   9.838
  415    HA   ALA  72           HA       ALA  72   5.639 -14.213   7.856
  416    HB1  ALA  72           1HB      ALA  72   5.495 -14.619  10.289
  417    HB2  ALA  72           2HB      ALA  72   4.051 -13.581  10.383
  418    HB3  ALA  72           3HB      ALA  72   4.000 -15.096   9.462
  419    H    GLY  73           H        GLY  73   3.698 -11.294   8.655
  420    HA2  GLY  73           1HA      GLY  73   1.584 -11.911   6.775
  421    HA3  GLY  73           2HA      GLY  73   1.974 -10.303   7.424
  422    H    VAL  74           H        VAL  74   4.656 -10.164   6.435
  423    HA   VAL  74           HA       VAL  74   4.243  -9.231   3.739
  424    HB   VAL  74           HB       VAL  74   6.826  -9.821   5.239
  425   HG11  VAL  74          1HG1      VAL  74   7.369  -9.969   2.874
  426   HG12  VAL  74          2HG1      VAL  74   6.476  -8.473   2.532
  427   HG13  VAL  74          3HG1      VAL  74   7.960  -8.430   3.504
  428   HG21  VAL  74          3HG2      VAL  74   6.993  -7.382   5.445
  429   HG22  VAL  74          1HG2      VAL  74   5.457  -7.190   4.576
  430   HG23  VAL  74          2HG2      VAL  74   5.498  -7.962   6.180
  431    H    ASP  75           H        ASP  75   5.831 -12.189   5.053
  432    HA   ASP  75           HA       ASP  75   6.580 -13.443   2.674
  433    HB2  ASP  75           1HB      ASP  75   7.108 -14.153   5.025
  434    HB3  ASP  75           2HB      ASP  75   5.470 -14.760   5.187
  435    H    LYS  76           H        LYS  76   3.383 -13.673   4.316
  436    HA   LYS  76           HA       LYS  76   2.255 -15.536   2.453
  437    HB2  LYS  76           1HB      LYS  76   0.960 -13.513   4.320
  438    HB3  LYS  76           2HB      LYS  76   0.093 -14.788   3.434
  439    HG2  LYS  76           1HG      LYS  76   1.166 -16.545   4.611
  440    HG3  LYS  76           2HG      LYS  76   2.347 -15.456   5.350
  441    HD2  LYS  76           1HD      LYS  76   0.428 -14.230   6.463
  442    HD3  LYS  76           2HD      LYS  76  -0.679 -15.463   5.848
  443    HE2  LYS  76           1HE      LYS  76   1.711 -15.941   7.682
  444    HE3  LYS  76           2HE      LYS  76   0.035 -15.768   8.222
  445    HZ1  LYS  76           3HZ      LYS  76   0.634 -18.099   8.033
  446    HZ2  LYS  76           1HZ      LYS  76  -0.522 -17.758   6.933
  447    HZ3  LYS  76           2HZ      LYS  76   1.035 -17.938   6.460
  448    H    VAL  77           H        VAL  77   2.337 -11.981   2.412
  449    HA   VAL  77           HA       VAL  77   0.425 -11.734   0.259
  450    HB   VAL  77           HB       VAL  77   2.506  -9.773   1.269
  451   HG11  VAL  77          1HG1      VAL  77   1.907  -9.087  -1.025
  452   HG12  VAL  77          2HG1      VAL  77   0.180  -9.233  -0.635
  453   HG13  VAL  77          3HG1      VAL  77   1.181  -7.990   0.145
  454   HG21  VAL  77          3HG2      VAL  77   0.600  -8.697   2.402
  455   HG22  VAL  77          1HG2      VAL  77  -0.540  -9.835   1.649
  456   HG23  VAL  77          2HG2      VAL  77   0.606 -10.403   2.861
  457    H    LEU  78           H        LEU  78   3.956 -12.216   0.352
  458    HA   LEU  78           HA       LEU  78   4.324 -11.873  -2.535
  459    HB2  LEU  78           1HB      LEU  78   6.012 -13.284  -0.436
  460    HB3  LEU  78           2HB      LEU  78   6.555 -12.806  -2.039
  461    HG   LEU  78           HG       LEU  78   5.609 -10.797   0.063
  462   HD11  LEU  78          1HD1      LEU  78   7.453 -12.118   0.903
  463   HD12  LEU  78          2HD1      LEU  78   8.394 -11.829  -0.577
  464   HD13  LEU  78          3HD1      LEU  78   8.017 -10.472   0.522
  465   HD21  LEU  78          3HD2      LEU  78   6.879  -9.189  -1.315
  466   HD22  LEU  78          1HD2      LEU  78   7.167 -10.456  -2.528
  467   HD23  LEU  78          2HD2      LEU  78   5.508  -9.894  -2.178
  468    H    ALA  79           H        ALA  79   3.899 -14.613  -0.306
  469    HA   ALA  79           HA       ALA  79   4.352 -16.639  -2.215
  470    HB1  ALA  79           1HB      ALA  79   4.576 -16.920   0.223
  471    HB2  ALA  79           2HB      ALA  79   2.816 -16.732   0.420
  472    HB3  ALA  79           3HB      ALA  79   3.473 -18.136  -0.446
  473    H    GLN  80           H        GLN  80   1.362 -14.887  -1.553
  474    HA   GLN  80           HA       GLN  80  -0.356 -16.881  -2.846
  475    HB2  GLN  80           1HB      GLN  80  -1.075 -15.616  -0.867
  476    HB3  GLN  80           2HB      GLN  80  -0.946 -14.100  -1.762
  477    HG2  GLN  80           1HG      GLN  80  -2.730 -14.804  -3.292
  478    HG3  GLN  80           2HG      GLN  80  -2.785 -16.405  -2.555
  479   HE21  GLN  80          2HE2      GLN  80  -4.360 -13.435  -2.582
  480   HE22  GLN  80          1HE2      GLN  80  -5.154 -13.594  -1.014
  481    H    SER  81           H        SER  81  -1.200 -16.825  -4.896
  482    HA   SER  81           HA       SER  81   0.309 -15.351  -6.841
  483    HB2  SER  81           1HB      SER  81  -2.078 -17.170  -7.285
  484    HB3  SER  81           2HB      SER  81  -0.798 -16.785  -8.441
  485    HG   SER  81           HG       SER  81   0.677 -17.939  -7.133
  486    H    ARG  82           H        ARG  82  -2.469 -14.269  -5.299
  487    HA   ARG  82           HA       ARG  82  -3.021 -12.197  -7.263
  488    HB2  ARG  82           1HB      ARG  82  -4.292 -14.011  -8.304
  489    HB3  ARG  82           2HB      ARG  82  -5.099 -14.380  -6.773
  490    HG2  ARG  82           1HG      ARG  82  -6.263 -12.235  -6.807
  491    HG3  ARG  82           2HG      ARG  82  -5.346 -11.711  -8.231
  492    HD2  ARG  82           1HD      ARG  82  -6.441 -13.415  -9.597
  493    HD3  ARG  82           2HD      ARG  82  -7.253 -14.086  -8.172
  494    HE   ARG  82           HE       ARG  82  -8.735 -12.267  -8.109
  495   HH11  ARG  82          1HH1      ARG  82  -6.427 -11.733 -10.754
  496   HH12  ARG  82          2HH1      ARG  82  -7.158 -10.192 -11.143
  497   HH21  ARG  82          1HH2      ARG  82  -9.655 -10.331  -8.783
  498   HH22  ARG  82          2HH2      ARG  82  -8.877  -9.436 -10.081
  499    H    HIS  83           H        HIS  83  -4.106 -10.469  -6.399
  500    HA   HIS  83           HA       HIS  83  -5.417 -10.672  -3.754
  501    HB2  HIS  83           1HB      HIS  83  -3.180  -8.741  -4.483
  502    HB3  HIS  83           2HB      HIS  83  -4.240  -8.539  -3.082
  503    HD1  HIS  83           1HD      HIS  83  -4.003 -10.525  -1.157
  504    HD2  HIS  83           2HD      HIS  83  -1.133 -10.388  -4.225
  505    HE1  HIS  83           1HE      HIS  83  -2.030 -11.950  -0.366
  506    H    GLU  84           H        GLU  84  -7.001  -9.013  -3.392
  507    HA   GLU  84           HA       GLU  84  -7.763  -7.287  -5.656
  508    HB2  GLU  84           1HB      GLU  84  -8.575  -9.623  -6.162
  509    HB3  GLU  84           2HB      GLU  84  -9.570  -9.537  -4.705
  510    HG2  GLU  84           1HG      GLU  84 -10.692  -7.487  -5.690
  511    HG3  GLU  84           2HG      GLU  84  -9.755  -7.747  -7.167
  512    H    LEU  85           H        LEU  85  -8.706  -5.500  -4.983
  513    HA   LEU  85           HA       LEU  85 -10.243  -5.318  -2.475
  514    HB2  LEU  85           1HB      LEU  85  -7.937  -5.044  -1.714
  515    HB3  LEU  85           2HB      LEU  85  -7.615  -3.868  -2.992
  516    HG   LEU  85           HG       LEU  85  -9.152  -2.255  -1.930
  517   HD11  LEU  85          1HD1      LEU  85 -10.773  -3.693  -0.806
  518   HD12  LEU  85          2HD1      LEU  85  -9.502  -4.421   0.190
  519   HD13  LEU  85          3HD1      LEU  85  -9.950  -2.720   0.421
  520   HD21  LEU  85          3HD2      LEU  85  -7.750  -1.776   0.032
  521   HD22  LEU  85          1HD2      LEU  85  -7.078  -3.419  -0.020
  522   HD23  LEU  85          2HD2      LEU  85  -6.756  -2.280  -1.346
  523    H    ASP  86           H        ASP  86 -11.828  -3.808  -2.657
  524    HA   ASP  86           HA       ASP  86 -13.406  -2.603  -3.714
  525    HB2  ASP  86           1HB      ASP  86 -11.668  -0.818  -3.370
  526    HB3  ASP  86           2HB      ASP  86 -11.153  -1.056  -5.038
  527    H    SER  87           H        SER  87 -12.637  -5.053  -4.902
  528    HA   SER  87           HA       SER  87 -12.969  -6.401  -6.690
  529    HB2  SER  87           1HB      SER  87 -14.547  -4.119  -7.916
  530    HB3  SER  87           2HB      SER  87 -14.581  -5.820  -8.386
  531    HG   SER  87           HG       SER  87 -16.332  -5.257  -6.983
  532    H    LYS  88           H        LYS  88 -10.642  -4.353  -6.709
  533    HA   LYS  88           HA       LYS  88  -9.906  -4.522  -9.609
  534    HB2  LYS  88           1HB      LYS  88  -9.096  -2.608  -7.381
  535    HB3  LYS  88           2HB      LYS  88  -8.245  -2.694  -8.913
  536    HG2  LYS  88           1HG      LYS  88 -11.233  -2.331  -8.980
  537    HG3  LYS  88           2HG      LYS  88 -10.226  -0.968  -8.473
  538    HD2  LYS  88           1HD      LYS  88  -8.973  -1.071 -10.597
  539    HD3  LYS  88           2HD      LYS  88  -9.941  -2.465 -11.100
  540    HE2  LYS  88           1HE      LYS  88 -10.844  -0.462 -12.147
  541    HE3  LYS  88           2HE      LYS  88 -12.008  -1.083 -10.974
  542    HZ1  LYS  88           3HZ      LYS  88 -11.738   1.337 -10.833
  543    HZ2  LYS  88           1HZ      LYS  88 -11.266   0.656  -9.415
  544    HZ3  LYS  88           2HZ      LYS  88 -10.158   1.197 -10.494
  545    H    THR  89           H        THR  89  -8.056  -5.499 -10.148
  546    HA   THR  89           HA       THR  89  -6.855  -7.408  -8.259
  547    HB   THR  89           HB       THR  89  -5.895  -6.766 -11.077
  548    HG1  THR  89           1HG      THR  89  -7.856  -7.494 -11.485
  549   HG21  THR  89          3HG2      THR  89  -5.054  -9.107 -10.942
  550   HG22  THR  89          1HG2      THR  89  -4.308  -8.079  -9.715
  551   HG23  THR  89          2HG2      THR  89  -5.601  -9.205  -9.251
  552    H    ILE  90           H        ILE  90  -5.267  -6.891  -6.860
  553    HA   ILE  90           HA       ILE  90  -3.568  -4.496  -7.464
  554    HB   ILE  90           HB       ILE  90  -3.176  -4.219  -5.121
  555   HG12  ILE  90          1HG1      ILE  90  -5.065  -6.516  -4.550
  556   HG13  ILE  90          2HG1      ILE  90  -3.305  -6.519  -4.340
  557   HG21  ILE  90          1HG2      ILE  90  -5.172  -3.168  -6.250
  558   HG22  ILE  90          2HG2      ILE  90  -6.178  -4.514  -5.683
  559   HG23  ILE  90          3HG2      ILE  90  -5.449  -3.415  -4.524
  560   HD11  ILE  90          3HD1      ILE  90  -4.208  -6.096  -2.190
  561   HD12  ILE  90          1HD1      ILE  90  -3.575  -4.534  -2.773
  562   HD13  ILE  90          2HD1      ILE  90  -5.322  -4.867  -2.805
  563    H    ASP  91           H        ASP  91  -1.387  -4.504  -6.998
  564    HA   ASP  91           HA       ASP  91  -0.056  -7.178  -7.229
  565    HB2  ASP  91           1HB      ASP  91  -0.394  -6.123  -9.414
  566    HB3  ASP  91           2HB      ASP  91   0.408  -4.661  -8.844
  567    HA   PRO  92           HA       PRO  92   1.988  -4.669  -3.926
  568    HB2  PRO  92           1HB      PRO  92   1.680  -6.380  -1.798
  569    HB3  PRO  92           2HB      PRO  92   0.463  -5.180  -2.309
  570    HG2  PRO  92           1HG      PRO  92   0.492  -8.139  -2.875
  571    HG3  PRO  92           2HG      PRO  92  -0.905  -7.060  -2.482
  572    HD2  PRO  92           1HD      PRO  92  -0.251  -7.864  -5.032
  573    HD3  PRO  92           2HD      PRO  92  -1.118  -6.358  -4.605
  574    H    LYS  93           H        LYS  93   4.021  -4.886  -3.073
  575    HA   LYS  93           HA       LYS  93   5.687  -7.267  -3.491
  576    HB2  LYS  93           1HB      LYS  93   7.123  -6.130  -5.180
  577    HB3  LYS  93           2HB      LYS  93   5.491  -6.439  -5.765
  578    HG2  LYS  93           1HG      LYS  93   4.867  -4.082  -5.348
  579    HG3  LYS  93           2HG      LYS  93   6.468  -3.754  -4.679
  580    HD2  LYS  93           1HD      LYS  93   6.380  -2.903  -6.938
  581    HD3  LYS  93           2HD      LYS  93   7.495  -4.265  -6.869
  582    HE2  LYS  93           1HE      LYS  93   6.217  -4.470  -8.891
  583    HE3  LYS  93           2HE      LYS  93   5.705  -5.755  -7.799
  584    HZ1  LYS  93           3HZ      LYS  93   3.803  -4.727  -8.815
  585    HZ2  LYS  93           1HZ      LYS  93   3.749  -4.361  -7.236
  586    HZ3  LYS  93           2HZ      LYS  93   4.223  -3.228  -8.338
  587    H    VAL  94           H        VAL  94   8.044  -6.745  -2.979
  588    HA   VAL  94           HA       VAL  94   8.148  -5.593  -0.360
  589    HB   VAL  94           HB       VAL  94  10.467  -6.310  -2.200
  590   HG11  VAL  94          1HG1      VAL  94  11.285  -4.850  -0.406
  591   HG12  VAL  94          2HG1      VAL  94  10.410  -5.805   0.815
  592   HG13  VAL  94          3HG1      VAL  94  11.780  -6.508  -0.073
  593   HG21  VAL  94          3HG2      VAL  94  10.551  -8.400  -0.824
  594   HG22  VAL  94          1HG2      VAL  94   9.050  -7.904  -0.013
  595   HG23  VAL  94          2HG2      VAL  94   9.060  -8.267  -1.754
  596    H    ALA  95           H        ALA  95   8.760  -3.639   0.424
  597    HA   ALA  95           HA       ALA  95   8.772  -1.383  -1.450
  598    HB1  ALA  95           1HB      ALA  95   7.399  -1.339   0.598
  599    HB2  ALA  95           2HB      ALA  95   8.862  -1.510   1.591
  600    HB3  ALA  95           3HB      ALA  95   8.607  -0.045   0.624
  601    H    PHE  96           H        PHE  96  10.391   0.007  -1.890
  602    HA   PHE  96           HA       PHE  96  13.145  -0.492  -1.270
  603    HB2  PHE  96           1HB      PHE  96  11.818   2.110  -2.118
  604    HB3  PHE  96           2HB      PHE  96  13.521   1.733  -2.267
  605    HD1  PHE  96           1HD      PHE  96  12.886  -1.258  -3.374
  606    HD2  PHE  96           2HD      PHE  96  11.700   2.753  -4.448
  607    HE1  PHE  96           1HE      PHE  96  12.488  -1.992  -5.698
  608    HE2  PHE  96           2HE      PHE  96  11.308   2.007  -6.778
  609    HZ   PHE  96           HZ       PHE  96  11.691  -0.370  -7.408
  610    HA   PRO  97           HA       PRO  97  13.876   1.074   2.748
  611    HB2  PRO  97           1HB      PRO  97  15.867   3.019   1.553
  612    HB3  PRO  97           2HB      PRO  97  16.048   1.969   2.997
  613    HG2  PRO  97           1HG      PRO  97  17.118   1.186   0.651
  614    HG3  PRO  97           2HG      PRO  97  16.193  -0.001   1.632
  615    HD2  PRO  97           1HD      PRO  97  15.272   1.580  -0.777
  616    HD3  PRO  97           2HD      PRO  97  15.027  -0.151  -0.395
  617    H    ARG  98           H        ARG  98  13.754   2.833   4.284
  618    HA   ARG  98           HA       ARG  98  12.278   5.216   3.365
  619    HB2  ARG  98           1HB      ARG  98  10.451   4.754   4.835
  620    HB3  ARG  98           2HB      ARG  98  10.709   3.429   3.730
  621    HG2  ARG  98           1HG      ARG  98  10.200   2.300   5.632
  622    HG3  ARG  98           2HG      ARG  98  11.952   2.253   5.681
  623    HD2  ARG  98           1HD      ARG  98  10.937   2.683   7.902
  624    HD3  ARG  98           2HD      ARG  98  11.985   3.994   7.411
  625    HE   ARG  98           HE       ARG  98  10.212   5.446   7.399
  626   HH11  ARG  98          1HH1      ARG  98   8.797   2.191   7.704
  627   HH12  ARG  98          2HH1      ARG  98   7.167   2.853   7.710
  628   HH21  ARG  98          1HH2      ARG  98   8.086   6.130   7.323
  629   HH22  ARG  98          2HH2      ARG  98   6.782   4.997   7.645
  630    H    ARG  99           H        ARG  99  12.259   6.979   4.635
  631    HA   ARG  99           HA       ARG  99  14.374   7.577   6.409
  632    HB2  ARG  99           1HB      ARG  99  13.029   9.145   5.038
  633    HB3  ARG  99           2HB      ARG  99  11.730   9.008   6.240
  634    HG2  ARG  99           1HG      ARG  99  13.270   9.838   7.998
  635    HG3  ARG  99           2HG      ARG  99  14.609   9.899   6.822
  636    HD2  ARG  99           1HD      ARG  99  13.422  11.557   5.488
  637    HD3  ARG  99           2HD      ARG  99  11.986  11.347   6.509
  638    HE   ARG  99           HE       ARG  99  14.209  12.133   8.131
  639   HH11  ARG  99          1HH1      ARG  99  12.029  13.588   5.753
  640   HH12  ARG  99          2HH1      ARG  99  12.227  15.184   6.413
  641   HH21  ARG  99          1HH2      ARG  99  14.417  14.218   8.934
  642   HH22  ARG  99          2HH2      ARG  99  13.561  15.532   8.187
  643    H    ALA 100           H        ALA 100  14.698   7.237   8.495
  644    HA   ALA 100           HA       ALA 100  12.721   7.173  10.587
  645    HB1  ALA 100           1HB      ALA 100  12.306   4.896   9.732
  646    HB2  ALA 100           2HB      ALA 100  14.047   4.535   9.776
  647    HB3  ALA 100           3HB      ALA 100  13.145   4.800  11.283
  648    H    GLN 101           H        GLN 101  13.759   6.931  12.722
  649    HA   GLN 101           HA       GLN 101  16.704   7.104  12.839
  650    HB2  GLN 101           1HB      GLN 101  14.769   9.252  13.823
  651    HB3  GLN 101           2HB      GLN 101  16.439   9.114  14.362
  652    HG2  GLN 101           1HG      GLN 101  17.204   9.370  11.986
  653    HG3  GLN 101           2HG      GLN 101  15.531   9.678  11.508
  654   HE21  GLN 101          2HE2      GLN 101  18.174  11.410  11.694
  655   HE22  GLN 101          1HE2      GLN 101  17.570  12.867  12.470
  656    HA   PRO 102           HA       PRO 102  15.784   4.792  16.564
  657    HB2  PRO 102           1HB      PRO 102  18.150   4.915  17.908
  658    HB3  PRO 102           2HB      PRO 102  17.961   4.007  16.376
  659    HG2  PRO 102           1HG      PRO 102  19.055   6.815  16.751
  660    HG3  PRO 102           2HG      PRO 102  19.769   5.465  15.811
  661    HD2  PRO 102           1HD      PRO 102  18.255   7.421  14.646
  662    HD3  PRO 102           2HD      PRO 102  18.210   5.727  14.071
  663    H    LYS 103           H        LYS 103  15.066   5.130  18.630
  664    HA   LYS 103           HA       LYS 103  15.626   7.419  20.281
  665    HB2  LYS 103           1HB      LYS 103  13.429   8.463  20.233
  666    HB3  LYS 103           2HB      LYS 103  14.220   8.591  18.668
  667    HG2  LYS 103           1HG      LYS 103  12.840   6.652  17.843
  668    HG3  LYS 103           2HG      LYS 103  11.988   6.633  19.393
  669    HD2  LYS 103           1HD      LYS 103  12.069   8.972  17.433
  670    HD3  LYS 103           2HD      LYS 103  10.745   7.808  17.596
  671    HE2  LYS 103           1HE      LYS 103  10.425   8.508  19.969
  672    HE3  LYS 103           2HE      LYS 103  11.712   9.706  19.782
  673    HZ1  LYS 103           3HZ      LYS 103   9.529  10.706  19.457
  674    HZ2  LYS 103           1HZ      LYS 103  10.369  10.790  18.061
  675    HZ3  LYS 103           2HZ      LYS 103   9.176   9.685  18.236
  676    H5'    G 104           H5'        G 104  -4.068  -0.697 -14.286
  677   H5''    G 104          H5"         G 104  -2.464  -0.293 -13.662
  678    H4'    G 104           H4'        G 104  -3.485   1.688 -14.568
  679    H3'    G 104           H3'        G 104  -2.680   1.587 -11.794
  680    H2'    G 104           H2'        G 104  -4.757   2.120 -10.957
  681   HO2'    G 104          HO2         G 104  -3.499   4.437 -11.829
  682    H1'    G 104           H1'        G 104  -5.443   3.570 -13.533
  683    H8     G 104           8H         G 104  -6.800   2.573 -10.229
  684    H1     G 104           1H         G 104 -11.373   3.122 -14.732
  685    H21    G 104           1H2        G 104 -10.380   3.279 -16.754
  686    H22    G 104           2H2        G 104  -8.630   3.206 -16.868
  687   HO5'    G 104          H5T         G 104  -3.864  -1.675 -12.274
  688    H5'    U 105           H5'        U 105  -1.214   2.946 -10.443
  689   H5''    U 105          H5"         U 105  -0.121   4.177 -11.078
  690    H4'    U 105           H4'        U 105   0.811   3.299  -9.073
  691    H3'    U 105           H3'        U 105   2.264   3.418 -11.398
  692    H2'    U 105           H2'        U 105   2.002   1.169 -11.993
  693   HO2'    U 105          HO2         U 105   4.417   1.658 -10.973
  694    H1'    U 105           H1'        U 105   2.390   0.297  -9.135
  695    H3     U 105           3H         U 105   1.974  -4.014 -10.562
  696    H5     U 105           5H         U 105  -1.102  -2.054 -12.610
  697    H6     U 105           6H         U 105  -0.384   0.053 -11.610
  698    H5'    A 106           H5'        A 106   3.878   4.587  -7.065
  699   H5''    A 106          H5"         A 106   4.170   6.001  -8.072
  700    H4'    A 106           H4'        A 106   5.134   6.422  -5.947
  701    H3'    A 106           H3'        A 106   6.624   6.708  -8.235
  702    H2'    A 106           H2'        A 106   7.668   4.604  -8.175
  703   HO2'    A 106          HO2         A 106   9.263   6.502  -6.866
  704    H1'    A 106           H1'        A 106   8.124   4.782  -5.200
  705    H8     A 106           8H         A 106   7.091   2.412  -8.125
  706    H61    A 106           1H6        A 106   9.040  -1.976  -4.063
  707    H62    A 106           2H6        A 106   8.494  -1.760  -5.727
  708    H2     A 106           2H         A 106   9.290   1.841  -2.102
  709    H5'    G 107           H5'        G 107   7.898   8.965  -3.700
  710   H5''    G 107          H5"         G 107   7.420   7.268  -3.569
  711    H4'    G 107           H4'        G 107   5.673   9.345  -2.253
  712    H3'    G 107           H3'        G 107   8.385   8.452  -1.223
  713    H2'    G 107           H2'        G 107   7.438   8.701   0.960
  714   HO2'    G 107          HO2         G 107   6.324  10.787   0.215
  715    H1'    G 107           H1'        G 107   4.861   7.866   0.192
  716    H8     G 107           8H         G 107   4.616   6.125   1.939
  717    H1     G 107           1H         G 107  10.461   3.609   0.960
  718    H21    G 107           1H2        G 107  11.590   4.921  -0.425
  719    H22    G 107           2H2        G 107  10.790   6.254  -1.248
  720    H5'    U 108           H5'        U 108  10.562  11.834   1.744
  721   H5''    U 108          H5"         U 108  11.562  10.849   0.678
  722    H4'    U 108           H4'        U 108  12.062  10.170   2.870
  723    H3'    U 108           H3'        U 108  11.092   8.268   1.059
  724   HO3'    U 108          H3T         U 108  12.978   7.909   2.231
  725    H2'    U 108           H2'        U 108   8.966   8.099   2.014
  726   HO2'    U 108          HO2         U 108  10.709   6.259   2.919
  727    H1'    U 108           H1'        U 108  10.150   8.376   4.772
  728    H3     U 108           3H         U 108   6.012   7.880   6.583
  729    H5     U 108           5H         U 108   5.284  10.340   3.278
  730    H6     U 108           6H         U 108   7.657  10.217   2.704
  Start of MODEL   16
    1    H    CYS  20           1H       CYS  20  11.213  -5.539   6.286
    2    HA   CYS  20           HA       CYS  20   9.005  -6.457   6.023
    3    HB2  CYS  20           1HB      CYS  20   7.146  -5.616   7.420
    4    HB3  CYS  20           2HB      CYS  20   8.359  -6.375   8.433
    5    HG   CYS  20           HG       CYS  20   7.355  -4.283   9.644
    6    H    LYS  21           H        LYS  21   6.999  -4.906   5.492
    7    HA   LYS  21           HA       LYS  21   6.044  -3.061   4.707
    8    HB2  LYS  21           1HB      LYS  21   7.884  -1.613   5.650
    9    HB3  LYS  21           2HB      LYS  21   8.654  -1.668   4.057
   10    HG2  LYS  21           1HG      LYS  21   6.663  -0.650   3.019
   11    HG3  LYS  21           2HG      LYS  21   5.774  -0.784   4.535
   12    HD2  LYS  21           1HD      LYS  21   7.431   0.784   5.580
   13    HD3  LYS  21           2HD      LYS  21   8.158   1.005   3.973
   14    HE2  LYS  21           1HE      LYS  21   6.057   1.848   3.074
   15    HE3  LYS  21           2HE      LYS  21   5.180   1.401   4.555
   16    HZ1  LYS  21           3HZ      LYS  21   5.780   3.801   4.341
   17    HZ2  LYS  21           1HZ      LYS  21   6.278   3.102   5.748
   18    HZ3  LYS  21           2HZ      LYS  21   7.345   3.396   4.494
   19    H    MET  22           H        MET  22   5.102  -2.624   2.879
   20    HA   MET  22           HA       MET  22   6.229  -3.624   0.316
   21    HB2  MET  22           1HB      MET  22   3.500  -4.301   1.499
   22    HB3  MET  22           2HB      MET  22   4.056  -4.719  -0.127
   23    HG2  MET  22           1HG      MET  22   6.006  -5.953   0.968
   24    HG3  MET  22           2HG      MET  22   5.227  -5.654   2.515
   25    HE1  MET  22           3HE      MET  22   4.089  -8.622  -0.758
   26    HE2  MET  22           1HE      MET  22   3.959  -6.886  -1.115
   27    HE3  MET  22           2HE      MET  22   5.521  -7.584  -0.628
   28    H    PHE  23           H        PHE  23   5.724  -2.545  -1.398
   29    HA   PHE  23           HA       PHE  23   4.108  -0.054  -1.365
   30    HB2  PHE  23           1HB      PHE  23   6.186   0.173  -2.525
   31    HB3  PHE  23           2HB      PHE  23   6.042  -1.407  -3.282
   32    HD1  PHE  23           2HD      PHE  23   4.530  -1.783  -5.199
   33    HD2  PHE  23           1HD      PHE  23   5.058   2.134  -3.497
   34    HE1  PHE  23           2HE      PHE  23   3.538  -0.776  -7.234
   35    HE2  PHE  23           1HE      PHE  23   4.081   3.129  -5.538
   36    HZ   PHE  23           HZ       PHE  23   3.309   1.698  -7.404
   37    H    ILE  24           H        ILE  24   2.068  -0.065  -2.206
   38    HA   ILE  24           HA       ILE  24   0.960  -2.730  -3.055
   39    HB   ILE  24           HB       ILE  24  -0.583  -0.479  -1.742
   40   HG12  ILE  24          1HG1      ILE  24   1.030  -1.060  -0.072
   41   HG13  ILE  24          2HG1      ILE  24  -0.545  -1.681   0.363
   42   HG21  ILE  24          1HG2      ILE  24  -1.849  -2.147  -3.066
   43   HG22  ILE  24          2HG2      ILE  24  -1.174  -3.453  -2.089
   44   HG23  ILE  24          3HG2      ILE  24  -2.228  -2.238  -1.340
   45   HD11  ILE  24          3HD1      ILE  24   1.296  -3.245   0.911
   46   HD12  ILE  24          1HD1      ILE  24   0.145  -3.966  -0.214
   47   HD13  ILE  24          2HD1      ILE  24   1.717  -3.375  -0.797
   48    H    GLY  25           H        GLY  25   1.198  -2.542  -5.266
   49    HA2  GLY  25           1HA      GLY  25   0.213  -0.137  -6.692
   50    HA3  GLY  25           2HA      GLY  25   1.029  -1.553  -7.388
   51    H    GLY  26           H        GLY  26  -1.173  -0.408  -8.596
   52    HA2  GLY  26           1HA      GLY  26  -2.930  -1.246  -9.838
   53    HA3  GLY  26           2HA      GLY  26  -2.763  -2.802  -9.000
   54    H    LEU  27           H        LEU  27  -3.262  -0.050  -6.950
   55    HA   LEU  27           HA       LEU  27  -5.731  -1.086  -5.858
   56    HB2  LEU  27           1HB      LEU  27  -4.434   1.665  -5.596
   57    HB3  LEU  27           2HB      LEU  27  -5.784   1.103  -4.644
   58    HG   LEU  27           HG       LEU  27  -2.964  -0.025  -4.541
   59   HD11  LEU  27          1HD1      LEU  27  -3.391   2.225  -3.492
   60   HD12  LEU  27          2HD1      LEU  27  -4.644   1.495  -2.491
   61   HD13  LEU  27          3HD1      LEU  27  -2.950   0.977  -2.310
   62   HD21  LEU  27          3HD2      LEU  27  -3.992  -1.250  -2.495
   63   HD22  LEU  27          1HD2      LEU  27  -5.552  -0.981  -3.288
   64   HD23  LEU  27          2HD2      LEU  27  -4.264  -1.895  -4.112
   65    H    SER  28           H        SER  28  -7.728   0.130  -5.673
   66    HA   SER  28           HA       SER  28  -8.699   1.235  -8.239
   67    HB2  SER  28           1HB      SER  28 -10.032  -0.241  -6.570
   68    HB3  SER  28           2HB      SER  28 -10.150   1.209  -5.575
   69    HG   SER  28           HG       SER  28 -11.923   1.095  -6.896
   70    H    TRP  29           H        TRP  29  -9.249   3.443  -8.564
   71    HA   TRP  29           HA       TRP  29  -7.822   5.467  -7.212
   72    HB2  TRP  29           1HB      TRP  29 -10.157   5.424  -9.091
   73    HB3  TRP  29           2HB      TRP  29  -9.632   6.938  -8.354
   74    HD1  TRP  29           HD       TRP  29  -6.558   5.080  -8.950
   75    HE1  TRP  29           1HE      TRP  29  -5.440   5.721 -11.132
   76    HE3  TRP  29           3HE      TRP  29 -10.454   7.588 -11.143
   77    HZ2  TRP  29           2HZ      TRP  29  -6.084   7.240 -13.510
   78    HZ3  TRP  29           3HZ      TRP  29 -10.173   8.602 -13.390
   79    HH2  TRP  29           HH       TRP  29  -7.999   8.439 -14.583
   80    H    GLN  30           H        GLN  30 -10.605   3.911  -6.019
   81    HA   GLN  30           HA       GLN  30 -11.283   6.174  -4.181
   82    HB2  GLN  30           1HB      GLN  30 -12.861   3.681  -4.951
   83    HB3  GLN  30           2HB      GLN  30 -13.401   4.941  -3.835
   84    HG2  GLN  30           1HG      GLN  30 -13.268   6.624  -5.677
   85    HG3  GLN  30           2HG      GLN  30 -12.824   5.339  -6.803
   86   HE21  GLN  30          2HE2      GLN  30 -14.522   4.185  -7.800
   87   HE22  GLN  30          1HE2      GLN  30 -16.197   4.341  -7.295
   88    H    THR  31           H        THR  31  -9.134   3.746  -4.055
   89    HA   THR  31           HA       THR  31  -9.834   2.336  -1.635
   90    HB   THR  31           HB       THR  31  -7.060   2.721  -2.825
   91    HG1  THR  31           1HG      THR  31  -8.228   1.921  -4.413
   92   HG21  THR  31          3HG2      THR  31  -6.764   0.382  -1.886
   93   HG22  THR  31          1HG2      THR  31  -6.939   1.628  -0.648
   94   HG23  THR  31          2HG2      THR  31  -8.313   0.567  -1.050
   95    H    THR  32           H        THR  32  -9.112   2.613   0.468
   96    HA   THR  32           HA       THR  32  -7.725   5.162   1.185
   97    HB   THR  32           HB       THR  32  -9.029   5.236   3.240
   98    HG1  THR  32           1HG      THR  32 -10.831   3.749   3.387
   99   HG21  THR  32          3HG2      THR  32 -11.198   5.855   2.368
  100   HG22  THR  32          1HG2      THR  32  -9.963   6.355   1.200
  101   HG23  THR  32          2HG2      THR  32 -10.945   4.907   0.889
  102    H    GLN  33           H        GLN  33  -6.475   5.070   3.149
  103    HA   GLN  33           HA       GLN  33  -4.828   2.715   3.351
  104    HB2  GLN  33           1HB      GLN  33  -3.808   3.932   5.299
  105    HB3  GLN  33           2HB      GLN  33  -3.799   4.792   3.762
  106    HG2  GLN  33           1HG      GLN  33  -5.605   6.238   4.439
  107    HG3  GLN  33           2HG      GLN  33  -5.878   5.307   5.923
  108   HE21  GLN  33          2HE2      GLN  33  -3.809   7.753   4.371
  109   HE22  GLN  33          1HE2      GLN  33  -2.914   8.124   5.834
  110    H    GLU  34           H        GLU  34  -7.699   3.680   5.152
  111    HA   GLU  34           HA       GLU  34  -7.440   1.600   7.181
  112    HB2  GLU  34           1HB      GLU  34  -9.861   3.141   6.156
  113    HB3  GLU  34           2HB      GLU  34  -9.876   2.014   7.519
  114    HG2  GLU  34           1HG      GLU  34  -8.185   3.413   8.695
  115    HG3  GLU  34           2HG      GLU  34  -8.222   4.571   7.364
  116    H    GLY  35           H        GLY  35  -8.883   1.827   3.910
  117    HA2  GLY  35           1HA      GLY  35 -10.058  -0.801   3.835
  118    HA3  GLY  35           2HA      GLY  35  -9.615   0.220   2.444
  119    H    LEU  36           H        LEU  36  -6.769   0.422   3.064
  120    HA   LEU  36           HA       LEU  36  -5.748  -2.113   2.180
  121    HB2  LEU  36           1HB      LEU  36  -4.204   0.081   3.651
  122    HB3  LEU  36           2HB      LEU  36  -3.521  -1.264   2.761
  123    HG   LEU  36           HG       LEU  36  -4.950   1.151   1.638
  124   HD11  LEU  36          1HD1      LEU  36  -2.540   1.346   2.218
  125   HD12  LEU  36          2HD1      LEU  36  -2.185  -0.010   1.125
  126   HD13  LEU  36          3HD1      LEU  36  -2.836   1.504   0.475
  127   HD21  LEU  36          3HD2      LEU  36  -4.590   0.147  -0.608
  128   HD22  LEU  36          1HD2      LEU  36  -4.157  -1.394   0.166
  129   HD23  LEU  36          2HD2      LEU  36  -5.794  -0.712   0.347
  130    H    ARG  37           H        ARG  37  -5.698  -0.692   5.513
  131    HA   ARG  37           HA       ARG  37  -4.606  -3.007   6.735
  132    HB2  ARG  37           1HB      ARG  37  -4.856  -0.842   7.875
  133    HB3  ARG  37           2HB      ARG  37  -6.617  -1.013   7.874
  134    HG2  ARG  37           1HG      ARG  37  -6.467  -3.010   9.323
  135    HG3  ARG  37           2HG      ARG  37  -4.698  -2.955   9.233
  136    HD2  ARG  37           1HD      ARG  37  -4.816  -0.653  10.256
  137    HD3  ARG  37           2HD      ARG  37  -6.564  -0.880  10.430
  138    HE   ARG  37           HE       ARG  37  -4.789  -2.937  11.660
  139   HH11  ARG  37          1HH1      ARG  37  -6.679   0.001  12.304
  140   HH12  ARG  37          2HH1      ARG  37  -6.892  -0.408  13.979
  141   HH21  ARG  37          1HH2      ARG  37  -5.211  -3.450  13.775
  142   HH22  ARG  37          2HH2      ARG  37  -6.038  -2.312  14.814
  143    H    GLU  38           H        GLU  38  -7.996  -2.270   5.983
  144    HA   GLU  38           HA       GLU  38  -9.221  -4.461   7.190
  145    HB2  GLU  38           1HB      GLU  38 -10.116  -2.340   5.748
  146    HB3  GLU  38           2HB      GLU  38 -10.287  -3.589   4.514
  147    HG2  GLU  38           1HG      GLU  38 -11.578  -4.954   6.189
  148    HG3  GLU  38           2HG      GLU  38 -11.398  -3.622   7.341
  149    H    TYR  39           H        TYR  39  -7.535  -4.370   4.061
  150    HA   TYR  39           HA       TYR  39  -8.209  -7.175   3.428
  151    HB2  TYR  39           1HB      TYR  39  -8.148  -5.404   1.705
  152    HB3  TYR  39           2HB      TYR  39  -6.432  -5.158   2.009
  153    HD1  TYR  39           2HD      TYR  39  -8.953  -7.751   1.028
  154    HD2  TYR  39           1HD      TYR  39  -4.817  -6.540   0.889
  155    HE1  TYR  39           2HE      TYR  39  -8.440  -9.697  -0.423
  156    HE2  TYR  39           1HE      TYR  39  -4.298  -8.469  -0.580
  157    HH   TYR  39           HH       TYR  39  -6.817 -10.886  -1.493
  158    H    PHE  40           H        PHE  40  -5.320  -5.290   4.371
  159    HA   PHE  40           HA       PHE  40  -3.593  -7.583   4.117
  160    HB2  PHE  40           1HB      PHE  40  -3.189  -4.700   4.870
  161    HB3  PHE  40           2HB      PHE  40  -1.891  -5.842   5.079
  162    HD1  PHE  40           2HD      PHE  40  -1.542  -7.522   2.948
  163    HD2  PHE  40           1HD      PHE  40  -3.375  -3.629   2.742
  164    HE1  PHE  40           2HE      PHE  40  -1.169  -7.468   0.499
  165    HE2  PHE  40           1HE      PHE  40  -3.029  -3.592   0.301
  166    HZ   PHE  40           HZ       PHE  40  -1.921  -5.505  -0.835
  167    H    GLY  41           H        GLY  41  -5.379  -6.341   6.824
  168    HA2  GLY  41           1HA      GLY  41  -3.936  -7.582   8.952
  169    HA3  GLY  41           2HA      GLY  41  -5.665  -7.181   8.941
  170    H    GLN  42           H        GLN  42  -5.617  -9.114   6.388
  171    HA   GLN  42           HA       GLN  42  -6.370 -11.590   7.727
  172    HB2  GLN  42           1HB      GLN  42  -5.722 -11.037   4.797
  173    HB3  GLN  42           2HB      GLN  42  -6.542 -12.464   5.431
  174    HG2  GLN  42           1HG      GLN  42  -8.432 -11.039   6.201
  175    HG3  GLN  42           2HG      GLN  42  -7.620  -9.617   5.540
  176   HE21  GLN  42          2HE2      GLN  42  -7.121  -9.662   3.142
  177   HE22  GLN  42          1HE2      GLN  42  -8.273 -10.495   2.101
  178    H    PHE  43           H        PHE  43  -3.384 -10.293   6.422
  179    HA   PHE  43           HA       PHE  43  -2.023 -12.939   6.455
  180    HB2  PHE  43           1HB      PHE  43  -1.059 -10.248   5.411
  181    HB3  PHE  43           2HB      PHE  43  -0.317 -11.810   5.144
  182    HD1  PHE  43           2HD      PHE  43  -1.368 -13.459   3.583
  183    HD2  PHE  43           1HD      PHE  43  -3.059  -9.565   4.180
  184    HE1  PHE  43           2HE      PHE  43  -2.748 -13.753   1.546
  185    HE2  PHE  43           1HE      PHE  43  -4.442  -9.835   2.139
  186    HZ   PHE  43           HZ       PHE  43  -4.297 -11.944   0.822
  187    H    GLY  44           H        GLY  44  -1.816  -9.683   7.873
  188    HA2  GLY  44           1HA      GLY  44  -0.926 -10.573  10.425
  189    HA3  GLY  44           2HA      GLY  44   0.457  -9.937   9.548
  190    H    GLU  45           H        GLU  45  -0.745  -8.744  11.941
  191    HA   GLU  45           HA       GLU  45  -2.412  -6.524  11.213
  192    HB2  GLU  45           1HB      GLU  45  -2.263  -7.406  13.511
  193    HB3  GLU  45           2HB      GLU  45  -0.584  -6.878  13.620
  194    HG2  GLU  45           1HG      GLU  45  -2.116  -5.352  14.773
  195    HG3  GLU  45           2HG      GLU  45  -1.259  -4.533  13.477
  196    H    VAL  46           H        VAL  46  -1.895  -4.314  10.966
  197    HA   VAL  46           HA       VAL  46   0.734  -3.969   9.646
  198    HB   VAL  46           HB       VAL  46  -0.177  -2.302   8.305
  199   HG11  VAL  46          1HG1      VAL  46  -0.642  -4.657   7.640
  200   HG12  VAL  46          2HG1      VAL  46  -2.236  -4.547   8.420
  201   HG13  VAL  46          3HG1      VAL  46  -1.861  -3.524   7.029
  202   HG21  VAL  46          3HG2      VAL  46  -2.586  -1.661   8.339
  203   HG22  VAL  46          1HG2      VAL  46  -2.684  -2.394   9.962
  204   HG23  VAL  46          2HG2      VAL  46  -1.611  -1.008   9.662
  205    H    LYS  47           H        LYS  47   2.154  -2.571  10.225
  206    HA   LYS  47           HA       LYS  47   2.019  -1.204  12.830
  207    HB2  LYS  47           1HB      LYS  47   3.929  -2.610  12.022
  208    HB3  LYS  47           2HB      LYS  47   4.213  -1.465  10.714
  209    HG2  LYS  47           1HG      LYS  47   4.827   0.284  12.304
  210    HG3  LYS  47           2HG      LYS  47   4.332  -0.741  13.664
  211    HD2  LYS  47           1HD      LYS  47   6.106  -2.390  13.040
  212    HD3  LYS  47           2HD      LYS  47   6.618  -1.314  11.721
  213    HE2  LYS  47           1HE      LYS  47   7.090   0.482  13.380
  214    HE3  LYS  47           2HE      LYS  47   6.555  -0.581  14.689
  215    HZ1  LYS  47           3HZ      LYS  47   8.968  -0.596  14.468
  216    HZ2  LYS  47           1HZ      LYS  47   8.384  -2.084  14.137
  217    HZ3  LYS  47           2HZ      LYS  47   8.882  -1.108  12.920
  218    H    GLU  48           H        GLU  48   1.688  -0.399   9.488
  219    HA   GLU  48           HA       GLU  48   1.013   2.387   9.827
  220    HB2  GLU  48           1HB      GLU  48   3.273   2.899  10.067
  221    HB3  GLU  48           2HB      GLU  48   3.814   1.571   9.070
  222    HG2  GLU  48           1HG      GLU  48   3.104   2.780   7.024
  223    HG3  GLU  48           2HG      GLU  48   2.588   4.142   8.034
  224    H    CYS  49           H        CYS  49  -0.132   3.041   8.004
  225    HA   CYS  49           HA       CYS  49   0.117   1.572   5.480
  226    HB2  CYS  49           1HB      CYS  49  -2.315   1.138   5.316
  227    HB3  CYS  49           2HB      CYS  49  -1.557   0.221   6.624
  228    HG   CYS  49           HG       CYS  49  -4.121   1.391   6.952
  229    H    LEU  50           H        LEU  50  -0.532   2.745   3.688
  230    HA   LEU  50           HA       LEU  50  -1.337   5.589   4.031
  231    HB2  LEU  50           1HB      LEU  50   1.307   4.544   2.955
  232    HB3  LEU  50           2HB      LEU  50   0.710   6.135   2.543
  233    HG   LEU  50           HG       LEU  50   1.383   5.242   5.374
  234   HD11  LEU  50          1HD1      LEU  50   3.372   5.351   3.909
  235   HD12  LEU  50          2HD1      LEU  50   2.949   7.011   3.432
  236   HD13  LEU  50          3HD1      LEU  50   3.378   6.645   5.116
  237   HD21  LEU  50          3HD2      LEU  50   1.268   7.687   5.865
  238   HD22  LEU  50          1HD2      LEU  50   0.705   7.986   4.205
  239   HD23  LEU  50          2HD2      LEU  50  -0.301   7.060   5.343
  240    H    VAL  51           H        VAL  51  -1.953   6.602   2.140
  241    HA   VAL  51           HA       VAL  51  -1.950   5.133  -0.430
  242    HB   VAL  51           HB       VAL  51  -4.427   6.386   0.825
  243   HG11  VAL  51          1HG1      VAL  51  -4.306   7.200  -1.482
  244   HG12  VAL  51          2HG1      VAL  51  -3.992   5.552  -2.076
  245   HG13  VAL  51          3HG1      VAL  51  -5.559   5.973  -1.346
  246   HG21  VAL  51          3HG2      VAL  51  -5.449   4.186   0.249
  247   HG22  VAL  51          1HG2      VAL  51  -3.875   3.613  -0.331
  248   HG23  VAL  51          2HG2      VAL  51  -4.107   4.019   1.386
  249    H    MET  52           H        MET  52  -1.171   6.395  -1.949
  250    HA   MET  52           HA       MET  52  -0.271   9.108  -1.163
  251    HB2  MET  52           1HB      MET  52   0.602   7.053  -3.207
  252    HB3  MET  52           2HB      MET  52   1.351   8.661  -3.064
  253    HG2  MET  52           1HG      MET  52   1.264   6.718  -0.756
  254    HG3  MET  52           2HG      MET  52   2.582   6.838  -1.911
  255    HE1  MET  52           3HE      MET  52   2.048   9.275   1.774
  256    HE2  MET  52           1HE      MET  52   0.637   8.583   0.936
  257    HE3  MET  52           2HE      MET  52   1.985   7.529   1.438
  258    H    ARG  53           H        ARG  53  -2.909   9.140  -1.766
  259    HA   ARG  53           HA       ARG  53  -3.642   9.482  -4.446
  260    HB2  ARG  53           1HB      ARG  53  -5.732  10.350  -3.630
  261    HB3  ARG  53           2HB      ARG  53  -5.216   9.023  -2.599
  262    HG2  ARG  53           1HG      ARG  53  -4.427  10.699  -0.898
  263    HG3  ARG  53           2HG      ARG  53  -5.046  11.994  -1.949
  264    HD2  ARG  53           1HD      ARG  53  -7.309  10.891  -1.867
  265    HD3  ARG  53           2HD      ARG  53  -6.664   9.747  -0.676
  266    HE   ARG  53           HE       ARG  53  -6.073  12.307   0.300
  267   HH11  ARG  53          1HH1      ARG  53  -9.032  10.485  -0.382
  268   HH12  ARG  53          2HH1      ARG  53  -9.954  11.370   0.796
  269   HH21  ARG  53          1HH2      ARG  53  -7.323  13.400   1.810
  270   HH22  ARG  53          2HH2      ARG  53  -8.996  12.990   2.022
  271    H    ASP  54           H        ASP  54  -4.359  11.248  -5.652
  272    HA   ASP  54           HA       ASP  54  -2.713  13.640  -5.660
  273    HB2  ASP  54           1HB      ASP  54  -3.540  12.645  -7.722
  274    HB3  ASP  54           2HB      ASP  54  -5.207  12.769  -7.168
  275    HA   PRO  55           HA       PRO  55  -5.398  15.501  -2.621
  276    HB2  PRO  55           1HB      PRO  55  -4.264  17.968  -2.302
  277    HB3  PRO  55           2HB      PRO  55  -3.456  16.452  -1.800
  278    HG2  PRO  55           1HG      PRO  55  -3.063  18.004  -4.379
  279    HG3  PRO  55           2HG      PRO  55  -1.808  17.381  -3.261
  280    HD2  PRO  55           1HD      PRO  55  -2.568  16.022  -5.511
  281    HD3  PRO  55           2HD      PRO  55  -2.110  15.171  -4.004
  282    H    LEU  56           H        LEU  56  -5.362  16.711  -5.894
  283    HA   LEU  56           HA       LEU  56  -7.477  18.724  -5.382
  284    HB2  LEU  56           1HB      LEU  56  -5.902  17.805  -7.819
  285    HB3  LEU  56           2HB      LEU  56  -7.354  18.753  -7.988
  286    HG   LEU  56           HG       LEU  56  -5.381  20.126  -8.176
  287   HD11  LEU  56          1HD1      LEU  56  -7.474  21.115  -7.272
  288   HD12  LEU  56          2HD1      LEU  56  -6.878  20.841  -5.620
  289   HD13  LEU  56          3HD1      LEU  56  -6.014  21.942  -6.704
  290   HD21  LEU  56          3HD2      LEU  56  -3.859  20.612  -6.372
  291   HD22  LEU  56          1HD2      LEU  56  -4.743  19.559  -5.256
  292   HD23  LEU  56          2HD2      LEU  56  -3.870  18.860  -6.645
  293    H    THR  57           H        THR  57  -7.088  15.532  -6.917
  294    HA   THR  57           HA       THR  57 -10.028  15.415  -7.463
  295    HB   THR  57           HB       THR  57  -9.482  13.722  -9.109
  296    HG1  THR  57           1HG      THR  57  -6.779  14.233  -8.380
  297   HG21  THR  57          3HG2      THR  57  -8.293  15.066 -10.737
  298   HG22  THR  57          1HG2      THR  57  -9.390  16.103  -9.807
  299   HG23  THR  57          2HG2      THR  57  -7.645  16.126  -9.470
  300    H    LYS  58           H        LYS  58  -7.765  14.123  -5.316
  301    HA   LYS  58           HA       LYS  58  -7.795  12.614  -3.686
  302    HB2  LYS  58           1HB      LYS  58 -10.797  12.712  -4.138
  303    HB3  LYS  58           2HB      LYS  58 -10.057  11.707  -2.910
  304    HG2  LYS  58           1HG      LYS  58 -10.825  13.770  -1.948
  305    HG3  LYS  58           2HG      LYS  58  -9.077  13.622  -1.786
  306    HD2  LYS  58           1HD      LYS  58  -8.699  15.293  -3.491
  307    HD3  LYS  58           2HD      LYS  58 -10.421  15.301  -3.946
  308    HE2  LYS  58           1HE      LYS  58 -11.017  16.202  -1.736
  309    HE3  LYS  58           2HE      LYS  58  -9.331  16.104  -1.211
  310    HZ1  LYS  58           3HZ      LYS  58  -9.944  18.346  -1.949
  311    HZ2  LYS  58           1HZ      LYS  58  -8.747  17.733  -2.880
  312    HZ3  LYS  58           2HZ      LYS  58 -10.283  17.799  -3.455
  313    H    ARG  59           H        ARG  59  -8.150  11.747  -6.755
  314    HA   ARG  59           HA       ARG  59  -8.496   8.906  -6.829
  315    HB2  ARG  59           1HB      ARG  59  -6.903  10.896  -8.469
  316    HB3  ARG  59           2HB      ARG  59  -6.968   9.175  -8.867
  317    HG2  ARG  59           1HG      ARG  59  -9.298   9.210  -9.291
  318    HG3  ARG  59           2HG      ARG  59  -9.533  10.769  -8.513
  319    HD2  ARG  59           1HD      ARG  59  -9.663  10.783 -11.024
  320    HD3  ARG  59           2HD      ARG  59  -8.603  11.976 -10.306
  321    HE   ARG  59           HE       ARG  59  -7.804   9.553 -11.828
  322   HH11  ARG  59          1HH1      ARG  59  -6.711  12.528 -10.207
  323   HH12  ARG  59          2HH1      ARG  59  -5.179  12.502 -11.033
  324   HH21  ARG  59          1HH2      ARG  59  -5.806   9.579 -12.806
  325   HH22  ARG  59          2HH2      ARG  59  -4.664  10.844 -12.463
  326    H    SER  60           H        SER  60  -7.367   7.359  -5.953
  327    HA   SER  60           HA       SER  60  -5.088   7.650  -4.325
  328    HB2  SER  60           1HB      SER  60  -5.150   5.297  -4.112
  329    HB3  SER  60           2HB      SER  60  -6.832   5.794  -4.397
  330    HG   SER  60           HG       SER  60  -6.475   4.115  -5.765
  331    H    ARG  61           H        ARG  61  -5.012   7.796  -7.689
  332    HA   ARG  61           HA       ARG  61  -3.495   7.498  -9.347
  333    HB2  ARG  61           1HB      ARG  61  -1.451   7.737  -7.089
  334    HB3  ARG  61           2HB      ARG  61  -1.016   7.533  -8.779
  335    HG2  ARG  61           1HG      ARG  61  -2.378   9.570  -9.345
  336    HG3  ARG  61           2HG      ARG  61  -2.541   9.882  -7.608
  337    HD2  ARG  61           1HD      ARG  61   0.136   9.481  -9.033
  338    HD3  ARG  61           2HD      ARG  61  -0.605  11.058  -8.831
  339    HE   ARG  61           HE       ARG  61  -0.619  10.445  -6.318
  340   HH11  ARG  61          1HH1      ARG  61   2.080   9.835  -8.552
  341   HH12  ARG  61          2HH1      ARG  61   3.232   9.679  -7.251
  342   HH21  ARG  61          1HH2      ARG  61   0.915  10.266  -4.738
  343   HH22  ARG  61          2HH2      ARG  61   2.617  10.138  -5.154
  344    H    GLY  62           H        GLY  62  -4.469   5.127  -7.522
  345    HA2  GLY  62           1HA      GLY  62  -4.552   2.872  -7.912
  346    HA3  GLY  62           2HA      GLY  62  -3.307   3.028  -9.176
  347    H    PHE  63           H        PHE  63  -2.455   4.338  -6.000
  348    HA   PHE  63           HA       PHE  63  -1.338   1.810  -5.153
  349    HB2  PHE  63           1HB      PHE  63   0.922   2.142  -5.487
  350    HB3  PHE  63           2HB      PHE  63   0.238   2.714  -6.986
  351    HD1  PHE  63           2HD      PHE  63  -0.036   5.286  -7.298
  352    HD2  PHE  63           1HD      PHE  63   2.182   3.520  -4.049
  353    HE1  PHE  63           2HE      PHE  63   1.056   7.473  -6.865
  354    HE2  PHE  63           1HE      PHE  63   3.342   5.673  -3.679
  355    HZ   PHE  63           HZ       PHE  63   2.762   7.643  -4.998
  356    H    GLY  64           H        GLY  64  -0.155   1.750  -3.257
  357    HA2  GLY  64           1HA      GLY  64   0.045   4.077  -1.462
  358    HA3  GLY  64           2HA      GLY  64  -1.074   2.827  -0.940
  359    H    PHE  65           H        PHE  65   0.279   2.535   0.903
  360    HA   PHE  65           HA       PHE  65   2.524   0.634   0.513
  361    HB2  PHE  65           1HB      PHE  65   2.730   3.304   1.953
  362    HB3  PHE  65           2HB      PHE  65   3.796   1.973   2.289
  363    HD1  PHE  65           1HD      PHE  65   2.896   4.555  -0.287
  364    HD2  PHE  65           2HD      PHE  65   5.561   1.320   0.825
  365    HE1  PHE  65           1HE      PHE  65   4.556   5.339  -1.908
  366    HE2  PHE  65           2HE      PHE  65   7.216   2.139  -0.813
  367    HZ   PHE  65           HZ       PHE  65   6.721   4.171  -2.182
  368    H    VAL  66           H        VAL  66   2.793  -0.786   2.231
  369    HA   VAL  66           HA       VAL  66   1.316  -0.304   4.780
  370    HB   VAL  66           HB       VAL  66   1.060  -2.858   3.141
  371   HG11  VAL  66          1HG1      VAL  66   1.308  -3.480   5.515
  372   HG12  VAL  66          2HG1      VAL  66   0.086  -2.272   5.968
  373   HG13  VAL  66          3HG1      VAL  66  -0.364  -3.697   5.003
  374   HG21  VAL  66          3HG2      VAL  66  -1.365  -2.411   3.262
  375   HG22  VAL  66          1HG2      VAL  66  -1.065  -0.907   4.159
  376   HG23  VAL  66          2HG2      VAL  66  -0.538  -1.072   2.476
  377    H    THR  67           H        THR  67   2.548  -0.636   6.446
  378    HA   THR  67           HA       THR  67   4.988  -2.374   6.360
  379    HB   THR  67           HB       THR  67   4.213  -0.403   8.524
  380    HG1  THR  67           1HG      THR  67   5.411   1.127   7.421
  381   HG21  THR  67          3HG2      THR  67   6.650  -0.433   8.986
  382   HG22  THR  67          1HG2      THR  67   5.961  -2.058   9.124
  383   HG23  THR  67          2HG2      THR  67   6.886  -1.617   7.685
  384    H    PHE  68           H        PHE  68   5.064  -4.126   7.731
  385    HA   PHE  68           HA       PHE  68   2.533  -4.827   9.155
  386    HB2  PHE  68           1HB      PHE  68   4.719  -6.536   7.946
  387    HB3  PHE  68           2HB      PHE  68   3.402  -7.152   8.939
  388    HD1  PHE  68           2HD      PHE  68   4.167  -5.481   5.686
  389    HD2  PHE  68           1HD      PHE  68   1.200  -7.497   8.078
  390    HE1  PHE  68           2HE      PHE  68   2.724  -5.731   3.683
  391    HE2  PHE  68           1HE      PHE  68  -0.242  -7.744   6.074
  392    HZ   PHE  68           HZ       PHE  68   0.527  -6.868   3.872
  393    H    MET  69           H        MET  69   2.575  -5.679  11.223
  394    HA   MET  69           HA       MET  69   4.740  -4.857  13.006
  395    HB2  MET  69           1HB      MET  69   2.270  -6.577  13.510
  396    HB3  MET  69           2HB      MET  69   3.367  -5.944  14.736
  397    HG2  MET  69           1HG      MET  69   2.821  -3.601  13.744
  398    HG3  MET  69           2HG      MET  69   1.482  -4.412  12.934
  399    HE1  MET  69           3HE      MET  69   1.935  -3.578  17.451
  400    HE2  MET  69           1HE      MET  69   3.098  -4.614  16.605
  401    HE3  MET  69           2HE      MET  69   2.933  -2.903  16.148
  402    H    ASP  70           H        ASP  70   4.441  -7.478  11.000
  403    HA   ASP  70           HA       ASP  70   6.660  -8.956  12.208
  404    HB2  ASP  70           1HB      ASP  70   5.476 -11.098  12.191
  405    HB3  ASP  70           2HB      ASP  70   4.741  -9.975  13.323
  406    H    GLN  71           H        GLN  71   7.712 -10.372  10.713
  407    HA   GLN  71           HA       GLN  71   7.518  -9.478   7.955
  408    HB2  GLN  71           1HB      GLN  71   9.626 -10.060   9.209
  409    HB3  GLN  71           2HB      GLN  71   9.148 -11.750   9.166
  410    HG2  GLN  71           1HG      GLN  71  10.788 -11.290   7.421
  411    HG3  GLN  71           2HG      GLN  71   9.259 -11.765   6.708
  412   HE21  GLN  71          2HE2      GLN  71  10.130 -10.769   4.698
  413   HE22  GLN  71          1HE2      GLN  71  10.047  -9.027   4.518
  414    H    ALA  72           H        ALA  72   6.213 -12.210   9.718
  415    HA   ALA  72           HA       ALA  72   5.824 -14.033   7.584
  416    HB1  ALA  72           1HB      ALA  72   5.607 -14.614   9.977
  417    HB2  ALA  72           2HB      ALA  72   4.129 -13.627  10.090
  418    HB3  ALA  72           3HB      ALA  72   4.159 -15.075   9.064
  419    H    GLY  73           H        GLY  73   3.752 -11.236   8.523
  420    HA2  GLY  73           1HA      GLY  73   1.687 -11.798   6.611
  421    HA3  GLY  73           2HA      GLY  73   2.064 -10.205   7.287
  422    H    VAL  74           H        VAL  74   4.836 -10.232   6.227
  423    HA   VAL  74           HA       VAL  74   4.315  -9.217   3.531
  424    HB   VAL  74           HB       VAL  74   6.947  -9.728   4.973
  425   HG11  VAL  74          1HG1      VAL  74   7.402  -9.884   2.592
  426   HG12  VAL  74          2HG1      VAL  74   6.488  -8.395   2.279
  427   HG13  VAL  74          3HG1      VAL  74   8.000  -8.342   3.203
  428   HG21  VAL  74          3HG2      VAL  74   7.055  -7.278   5.139
  429   HG22  VAL  74          1HG2      VAL  74   5.468  -7.146   4.356
  430   HG23  VAL  74          2HG2      VAL  74   5.621  -7.902   5.960
  431    H    ASP  75           H        ASP  75   5.958 -12.110   4.922
  432    HA   ASP  75           HA       ASP  75   6.706 -13.407   2.564
  433    HB2  ASP  75           1HB      ASP  75   7.247 -14.046   4.952
  434    HB3  ASP  75           2HB      ASP  75   5.641 -14.735   5.089
  435    H    LYS  76           H        LYS  76   3.527 -13.642   4.241
  436    HA   LYS  76           HA       LYS  76   2.405 -15.579   2.450
  437    HB2  LYS  76           1HB      LYS  76   1.105 -13.466   4.203
  438    HB3  LYS  76           2HB      LYS  76   0.246 -14.803   3.403
  439    HG2  LYS  76           1HG      LYS  76   1.219 -16.461   4.749
  440    HG3  LYS  76           2HG      LYS  76   2.496 -15.389   5.340
  441    HD2  LYS  76           1HD      LYS  76   0.732 -13.947   6.413
  442    HD3  LYS  76           2HD      LYS  76  -0.505 -15.113   5.897
  443    HE2  LYS  76           1HE      LYS  76   0.605 -16.865   7.245
  444    HE3  LYS  76           2HE      LYS  76   1.870 -15.710   7.707
  445    HZ1  LYS  76           3HZ      LYS  76   0.229 -15.816   9.450
  446    HZ2  LYS  76           1HZ      LYS  76   0.084 -14.344   8.733
  447    HZ3  LYS  76           2HZ      LYS  76  -1.004 -15.522   8.420
  448    H    VAL  77           H        VAL  77   2.433 -12.025   2.283
  449    HA   VAL  77           HA       VAL  77   0.492 -11.867   0.149
  450    HB   VAL  77           HB       VAL  77   2.532  -9.852   1.126
  451   HG11  VAL  77          1HG1      VAL  77   1.956  -9.220  -1.191
  452   HG12  VAL  77          2HG1      VAL  77   0.227  -9.368  -0.815
  453   HG13  VAL  77          3HG1      VAL  77   1.210  -8.107  -0.046
  454   HG21  VAL  77          3HG2      VAL  77   0.608  -8.803   2.235
  455   HG22  VAL  77          1HG2      VAL  77  -0.521  -9.925   1.445
  456   HG23  VAL  77          2HG2      VAL  77   0.588 -10.517   2.677
  457    H    LEU  78           H        LEU  78   4.040 -12.228   0.212
  458    HA   LEU  78           HA       LEU  78   4.373 -11.957  -2.680
  459    HB2  LEU  78           1HB      LEU  78   6.098 -13.314  -0.577
  460    HB3  LEU  78           2HB      LEU  78   6.621 -12.844  -2.190
  461    HG   LEU  78           HG       LEU  78   5.668 -10.835  -0.095
  462   HD11  LEU  78          1HD1      LEU  78   7.544 -12.118   0.725
  463   HD12  LEU  78          2HD1      LEU  78   8.455 -11.834  -0.775
  464   HD13  LEU  78          3HD1      LEU  78   8.084 -10.468   0.317
  465   HD21  LEU  78          3HD2      LEU  78   6.881  -9.209  -1.497
  466   HD22  LEU  78          1HD2      LEU  78   7.177 -10.476  -2.710
  467   HD23  LEU  78          2HD2      LEU  78   5.513  -9.946  -2.338
  468    H    ALA  79           H        ALA  79   3.998 -14.666  -0.403
  469    HA   ALA  79           HA       ALA  79   4.442 -16.707  -2.305
  470    HB1  ALA  79           1HB      ALA  79   4.732 -16.967   0.128
  471    HB2  ALA  79           2HB      ALA  79   2.975 -16.810   0.368
  472    HB3  ALA  79           3HB      ALA  79   3.636 -18.205  -0.510
  473    H    GLN  80           H        GLN  80   1.503 -14.902  -1.739
  474    HA   GLN  80           HA       GLN  80  -0.245 -16.938  -2.965
  475    HB2  GLN  80           1HB      GLN  80  -0.967 -15.701  -0.974
  476    HB3  GLN  80           2HB      GLN  80  -0.835 -14.171  -1.844
  477    HG2  GLN  80           1HG      GLN  80  -2.617 -14.841  -3.384
  478    HG3  GLN  80           2HG      GLN  80  -2.675 -16.459  -2.684
  479   HE21  GLN  80          2HE2      GLN  80  -4.319 -13.558  -2.688
  480   HE22  GLN  80          1HE2      GLN  80  -5.093 -13.727  -1.111
  481    H    SER  81           H        SER  81  -1.087 -16.870  -5.014
  482    HA   SER  81           HA       SER  81   0.401 -15.354  -6.942
  483    HB2  SER  81           1HB      SER  81  -1.927 -17.247  -7.384
  484    HB3  SER  81           2HB      SER  81  -0.694 -16.772  -8.564
  485    HG   SER  81           HG       SER  81  -0.239 -18.827  -7.625
  486    H    ARG  82           H        ARG  82  -2.421 -14.352  -5.408
  487    HA   ARG  82           HA       ARG  82  -2.983 -12.260  -7.348
  488    HB2  ARG  82           1HB      ARG  82  -4.218 -14.070  -8.433
  489    HB3  ARG  82           2HB      ARG  82  -5.031 -14.483  -6.918
  490    HG2  ARG  82           1HG      ARG  82  -6.229 -12.356  -6.916
  491    HG3  ARG  82           2HG      ARG  82  -5.309 -11.788  -8.321
  492    HD2  ARG  82           1HD      ARG  82  -6.374 -13.470  -9.735
  493    HD3  ARG  82           2HD      ARG  82  -7.180 -14.191  -8.332
  494    HE   ARG  82           HE       ARG  82  -8.689 -12.396  -8.224
  495   HH11  ARG  82          1HH1      ARG  82  -6.390 -11.765 -10.853
  496   HH12  ARG  82          2HH1      ARG  82  -7.143 -10.226 -11.207
  497   HH21  ARG  82          1HH2      ARG  82  -9.637 -10.448  -8.850
  498   HH22  ARG  82          2HH2      ARG  82  -8.868  -9.518 -10.126
  499    H    HIS  83           H        HIS  83  -4.111 -10.563  -6.475
  500    HA   HIS  83           HA       HIS  83  -5.437 -10.818  -3.842
  501    HB2  HIS  83           1HB      HIS  83  -3.227  -8.844  -4.533
  502    HB3  HIS  83           2HB      HIS  83  -4.289  -8.691  -3.125
  503    HD1  HIS  83           1HD      HIS  83  -4.004 -10.697  -1.236
  504    HD2  HIS  83           2HD      HIS  83  -1.137 -10.434  -4.300
  505    HE1  HIS  83           1HE      HIS  83  -1.987 -12.072  -0.461
  506    H    GLU  84           H        GLU  84  -7.031  -9.165  -3.464
  507    HA   GLU  84           HA       GLU  84  -7.781  -7.397  -5.701
  508    HB2  GLU  84           1HB      GLU  84  -8.594  -9.728  -6.248
  509    HB3  GLU  84           2HB      GLU  84  -9.604  -9.655  -4.800
  510    HG2  GLU  84           1HG      GLU  84 -10.703  -7.584  -5.773
  511    HG3  GLU  84           2HG      GLU  84  -9.753  -7.836  -7.244
  512    H    LEU  85           H        LEU  85  -8.744  -5.626  -5.003
  513    HA   LEU  85           HA       LEU  85 -10.274  -5.499  -2.488
  514    HB2  LEU  85           1HB      LEU  85  -7.979  -5.199  -1.722
  515    HB3  LEU  85           2HB      LEU  85  -7.665  -4.016  -2.993
  516    HG   LEU  85           HG       LEU  85  -9.233  -2.423  -1.928
  517   HD11  LEU  85          1HD1      LEU  85 -10.816  -3.908  -0.800
  518   HD12  LEU  85          2HD1      LEU  85  -9.525  -4.590   0.202
  519   HD13  LEU  85          3HD1      LEU  85 -10.022  -2.900   0.417
  520   HD21  LEU  85          3HD2      LEU  85  -7.832  -1.920   0.028
  521   HD22  LEU  85          1HD2      LEU  85  -7.124  -3.548  -0.033
  522   HD23  LEU  85          2HD2      LEU  85  -6.835  -2.398  -1.356
  523    H    ASP  86           H        ASP  86 -11.895  -4.049  -2.655
  524    HA   ASP  86           HA       ASP  86 -13.493  -2.835  -3.664
  525    HB2  ASP  86           1HB      ASP  86 -11.794  -1.045  -3.197
  526    HB3  ASP  86           2HB      ASP  86 -11.255  -1.173  -4.868
  527    H    SER  87           H        SER  87 -12.715  -5.198  -4.965
  528    HA   SER  87           HA       SER  87 -13.086  -6.462  -6.808
  529    HB2  SER  87           1HB      SER  87 -14.610  -4.102  -7.958
  530    HB3  SER  87           2HB      SER  87 -14.689  -5.790  -8.468
  531    HG   SER  87           HG       SER  87 -15.438  -4.783  -5.903
  532    H    LYS  88           H        LYS  88 -10.706  -4.502  -6.733
  533    HA   LYS  88           HA       LYS  88  -9.959  -4.593  -9.637
  534    HB2  LYS  88           1HB      LYS  88  -9.251  -2.664  -7.391
  535    HB3  LYS  88           2HB      LYS  88  -8.342  -2.732  -8.889
  536    HG2  LYS  88           1HG      LYS  88 -11.330  -2.451  -9.134
  537    HG3  LYS  88           2HG      LYS  88 -10.437  -1.081  -8.488
  538    HD2  LYS  88           1HD      LYS  88  -8.981  -1.049 -10.500
  539    HD3  LYS  88           2HD      LYS  88  -9.880  -2.430 -11.146
  540    HE2  LYS  88           1HE      LYS  88 -10.759  -0.407 -12.168
  541    HE3  LYS  88           2HE      LYS  88 -11.983  -1.063 -11.080
  542    HZ1  LYS  88           3HZ      LYS  88 -11.792   1.322 -10.799
  543    HZ2  LYS  88           1HZ      LYS  88 -11.270   0.622  -9.418
  544    HZ3  LYS  88           2HZ      LYS  88 -10.195   1.242 -10.491
  545    H    THR  89           H        THR  89  -8.046  -5.504 -10.167
  546    HA   THR  89           HA       THR  89  -6.907  -7.456  -8.279
  547    HB   THR  89           HB       THR  89  -5.926  -6.791 -11.085
  548    HG1  THR  89           1HG      THR  89  -7.902  -7.516 -11.469
  549   HG21  THR  89          3HG2      THR  89  -5.066  -9.123 -10.970
  550   HG22  THR  89          1HG2      THR  89  -4.330  -8.105  -9.728
  551   HG23  THR  89          2HG2      THR  89  -5.616  -9.245  -9.282
  552    H    ILE  90           H        ILE  90  -5.359  -6.950  -6.834
  553    HA   ILE  90           HA       ILE  90  -3.670  -4.537  -7.360
  554    HB   ILE  90           HB       ILE  90  -3.303  -4.303  -5.022
  555   HG12  ILE  90          1HG1      ILE  90  -5.074  -6.702  -4.504
  556   HG13  ILE  90          2HG1      ILE  90  -3.315  -6.633  -4.308
  557   HG21  ILE  90          1HG2      ILE  90  -5.375  -3.339  -6.115
  558   HG22  ILE  90          2HG2      ILE  90  -6.295  -4.737  -5.532
  559   HG23  ILE  90          3HG2      ILE  90  -5.588  -3.611  -4.384
  560   HD11  ILE  90          3HD1      ILE  90  -4.218  -6.321  -2.142
  561   HD12  ILE  90          1HD1      ILE  90  -3.657  -4.717  -2.674
  562   HD13  ILE  90          2HD1      ILE  90  -5.390  -5.124  -2.705
  563    H    ASP  91           H        ASP  91  -1.488  -4.528  -6.914
  564    HA   ASP  91           HA       ASP  91  -0.108  -7.172  -7.176
  565    HB2  ASP  91           1HB      ASP  91  -0.514  -6.154  -9.369
  566    HB3  ASP  91           2HB      ASP  91   0.271  -4.669  -8.833
  567    HA   PRO  92           HA       PRO  92   1.920  -4.544  -3.929
  568    HB2  PRO  92           1HB      PRO  92   1.692  -6.259  -1.785
  569    HB3  PRO  92           2HB      PRO  92   0.446  -5.074  -2.261
  570    HG2  PRO  92           1HG      PRO  92   0.525  -8.029  -2.883
  571    HG3  PRO  92           2HG      PRO  92  -0.882  -7.010  -2.387
  572    HD2  PRO  92           1HD      PRO  92  -0.400  -7.711  -4.972
  573    HD3  PRO  92           2HD      PRO  92  -1.169  -6.172  -4.475
  574    H    LYS  93           H        LYS  93   3.983  -4.711  -3.157
  575    HA   LYS  93           HA       LYS  93   5.661  -7.091  -3.542
  576    HB2  LYS  93           1HB      LYS  93   7.078  -5.975  -5.261
  577    HB3  LYS  93           2HB      LYS  93   5.443  -6.309  -5.827
  578    HG2  LYS  93           1HG      LYS  93   4.802  -3.950  -5.450
  579    HG3  LYS  93           2HG      LYS  93   6.409  -3.596  -4.807
  580    HD2  LYS  93           1HD      LYS  93   6.281  -2.794  -7.083
  581    HD3  LYS  93           2HD      LYS  93   7.414  -4.140  -6.998
  582    HE2  LYS  93           1HE      LYS  93   6.104  -4.392  -9.002
  583    HE3  LYS  93           2HE      LYS  93   5.646  -5.673  -7.882
  584    HZ1  LYS  93           3HZ      LYS  93   3.697  -4.701  -8.874
  585    HZ2  LYS  93           1HZ      LYS  93   3.666  -4.325  -7.298
  586    HZ3  LYS  93           2HZ      LYS  93   4.089  -3.189  -8.416
  587    H    VAL  94           H        VAL  94   8.015  -6.553  -3.027
  588    HA   VAL  94           HA       VAL  94   8.060  -5.409  -0.411
  589    HB   VAL  94           HB       VAL  94  10.423  -6.115  -2.195
  590   HG11  VAL  94          1HG1      VAL  94  11.198  -4.660  -0.374
  591   HG12  VAL  94          2HG1      VAL  94  10.294  -5.622   0.820
  592   HG13  VAL  94          3HG1      VAL  94  11.685  -6.320  -0.038
  593   HG21  VAL  94          3HG2      VAL  94  10.469  -8.211  -0.826
  594   HG22  VAL  94          1HG2      VAL  94   8.954  -7.712  -0.043
  595   HG23  VAL  94          2HG2      VAL  94   8.996  -8.069  -1.783
  596    H    ALA  95           H        ALA  95   8.632  -3.474   0.410
  597    HA   ALA  95           HA       ALA  95   8.698  -1.187  -1.448
  598    HB1  ALA  95           1HB      ALA  95   7.173  -1.216   0.507
  599    HB2  ALA  95           2HB      ALA  95   8.568  -1.342   1.592
  600    HB3  ALA  95           3HB      ALA  95   8.324   0.119   0.617
  601    H    PHE  96           H        PHE  96  10.234   0.411  -1.551
  602    HA   PHE  96           HA       PHE  96  12.956  -0.039  -0.704
  603    HB2  PHE  96           1HB      PHE  96  11.617   2.586  -1.444
  604    HB3  PHE  96           2HB      PHE  96  13.340   2.257  -1.457
  605    HD1  PHE  96           2HD      PHE  96  12.986  -0.595  -2.903
  606    HD2  PHE  96           1HD      PHE  96  11.600   3.416  -3.701
  607    HE1  PHE  96           2HE      PHE  96  12.794  -1.133  -5.307
  608    HE2  PHE  96           1HE      PHE  96  11.414   2.866  -6.109
  609    HZ   PHE  96           HZ       PHE  96  12.000   0.587  -6.918
  610    HA   PRO  97           HA       PRO  97  12.945   0.810   3.525
  611    HB2  PRO  97           1HB      PRO  97  15.046   2.949   3.080
  612    HB3  PRO  97           2HB      PRO  97  15.003   1.659   4.326
  613    HG2  PRO  97           1HG      PRO  97  16.489   1.310   2.100
  614    HG3  PRO  97           2HG      PRO  97  15.454  -0.034   2.687
  615    HD2  PRO  97           1HD      PRO  97  14.920   1.913   0.436
  616    HD3  PRO  97           2HD      PRO  97  14.638   0.148   0.510
  617    H    ARG  98           H        ARG  98  12.043   1.980   5.164
  618    HA   ARG  98           HA       ARG  98  10.625   4.463   4.454
  619    HB2  ARG  98           1HB      ARG  98   9.248   4.096   6.345
  620    HB3  ARG  98           2HB      ARG  98   9.377   2.584   5.453
  621    HG2  ARG  98           1HG      ARG  98  11.020   1.733   7.108
  622    HG3  ARG  98           2HG      ARG  98  10.872   3.234   8.028
  623    HD2  ARG  98           1HD      ARG  98   8.613   1.264   7.471
  624    HD3  ARG  98           2HD      ARG  98   9.514   1.370   8.973
  625    HE   ARG  98           HE       ARG  98   7.304   3.048   8.128
  626   HH11  ARG  98          1HH1      ARG  98  10.163   3.097  10.236
  627   HH12  ARG  98          2HH1      ARG  98   9.493   4.349  11.236
  628   HH21  ARG  98          1HH2      ARG  98   6.554   4.679   9.384
  629   HH22  ARG  98          2HH2      ARG  98   7.459   5.214  10.779
  630    H    ARG  99           H        ARG  99  10.703   6.355   5.617
  631    HA   ARG  99           HA       ARG  99  12.657   6.712   7.833
  632    HB2  ARG  99           1HB      ARG  99  12.524   8.490   5.356
  633    HB3  ARG  99           2HB      ARG  99  13.457   8.838   6.803
  634    HG2  ARG  99           1HG      ARG  99  13.936   6.466   4.946
  635    HG3  ARG  99           2HG      ARG  99  14.816   7.988   4.912
  636    HD2  ARG  99           1HD      ARG  99  15.714   7.608   7.157
  637    HD3  ARG  99           2HD      ARG  99  14.737   6.157   7.344
  638    HE   ARG  99           HE       ARG  99  16.175   4.941   6.040
  639   HH11  ARG  99          1HH1      ARG  99  17.115   8.337   5.672
  640   HH12  ARG  99          2HH1      ARG  99  18.597   7.929   4.862
  641   HH21  ARG  99          1HH2      ARG  99  18.099   4.493   4.993
  642   HH22  ARG  99          2HH2      ARG  99  19.140   5.784   4.479
  643    H    ALA 100           H        ALA 100  11.720   7.750   9.453
  644    HA   ALA 100           HA       ALA 100   9.891   9.969   9.230
  645    HB1  ALA 100           1HB      ALA 100   8.282   8.174   8.643
  646    HB2  ALA 100           2HB      ALA 100   8.760   7.258  10.089
  647    HB3  ALA 100           3HB      ALA 100   7.919   8.814  10.250
  648    H    GLN 101           H        GLN 101   9.374  10.885  11.308
  649    HA   GLN 101           HA       GLN 101  10.533   9.701  13.741
  650    HB2  GLN 101           1HB      GLN 101  11.307  12.424  12.599
  651    HB3  GLN 101           2HB      GLN 101  11.536  11.963  14.283
  652    HG2  GLN 101           1HG      GLN 101  12.964  10.039  13.535
  653    HG3  GLN 101           2HG      GLN 101  12.856  10.638  11.877
  654   HE21  GLN 101          2HE2      GLN 101  15.138  10.447  14.074
  655   HE22  GLN 101          1HE2      GLN 101  15.867  12.041  13.939
  656    HA   PRO 102           HA       PRO 102   6.643  11.515  15.090
  657    HB2  PRO 102           1HB      PRO 102   6.746  11.033  17.767
  658    HB3  PRO 102           2HB      PRO 102   6.584   9.715  16.565
  659    HG2  PRO 102           1HG      PRO 102   9.124  10.709  17.903
  660    HG3  PRO 102           2HG      PRO 102   8.541   9.018  17.758
  661    HD2  PRO 102           1HD      PRO 102  10.354  10.086  16.021
  662    HD3  PRO 102           2HD      PRO 102   9.110   8.918  15.477
  663    H    LYS 103           H        LYS 103   5.803  13.296  16.316
  664    HA   LYS 103           HA       LYS 103   7.715  15.401  17.190
  665    HB2  LYS 103           1HB      LYS 103   5.693  15.757  14.936
  666    HB3  LYS 103           2HB      LYS 103   6.735  17.011  15.619
  667    HG2  LYS 103           1HG      LYS 103   8.746  15.762  14.826
  668    HG3  LYS 103           2HG      LYS 103   7.677  14.535  14.122
  669    HD2  LYS 103           1HD      LYS 103   6.643  16.308  12.673
  670    HD3  LYS 103           2HD      LYS 103   7.833  17.453  13.310
  671    HE2  LYS 103           1HE      LYS 103   8.668  16.647  11.208
  672    HE3  LYS 103           2HE      LYS 103   9.672  15.960  12.488
  673    HZ1  LYS 103           3HZ      LYS 103   9.052  14.296  10.821
  674    HZ2  LYS 103           1HZ      LYS 103   8.404  13.869  12.262
  675    HZ3  LYS 103           2HZ      LYS 103   7.463  14.531  11.097
  676    H5'    G 104           H5'        G 104  -4.538  -0.688 -14.016
  677   H5''    G 104          H5"         G 104  -2.907  -0.348 -13.428
  678    H4'    G 104           H4'        G 104  -3.846   1.635 -14.467
  679    H3'    G 104           H3'        G 104  -2.861   1.612 -11.757
  680    H2'    G 104           H2'        G 104  -4.824   2.346 -10.804
  681   HO2'    G 104          HO2         G 104  -3.443   4.496 -11.890
  682    H1'    G 104           H1'        G 104  -5.586   3.736 -13.391
  683    H8     G 104           8H         G 104  -6.900   2.139 -10.132
  684    H1     G 104           1H         G 104 -11.399   4.897 -13.806
  685    H21    G 104           1H2        G 104 -10.438   5.593 -15.725
  686    H22    G 104           2H2        G 104  -8.729   5.299 -15.994
  687   HO5'    G 104          H5T         G 104  -5.305  -0.532 -11.884
  688    H5'    U 105           H5'        U 105  -1.406   2.972 -10.531
  689   H5''    U 105          H5"         U 105  -0.281   4.143 -11.221
  690    H4'    U 105           H4'        U 105   0.576   3.352  -9.133
  691    H3'    U 105           H3'        U 105   2.092   3.390 -11.418
  692    H2'    U 105           H2'        U 105   1.834   1.127 -11.955
  693   HO2'    U 105          HO2         U 105   4.224   1.635 -10.883
  694    H1'    U 105           H1'        U 105   2.149   0.317  -9.071
  695    H3     U 105           3H         U 105   1.792  -3.991 -10.544
  696    H5     U 105           5H         U 105  -1.391  -2.069 -12.464
  697    H6     U 105           6H         U 105  -0.668   0.041 -11.480
  698    H5'    A 106           H5'        A 106   3.585   4.638  -7.069
  699   H5''    A 106          H5"         A 106   3.857   6.032  -8.106
  700    H4'    A 106           H4'        A 106   4.747   6.511  -5.954
  701    H3'    A 106           H3'        A 106   6.236   6.861  -8.234
  702    H2'    A 106           H2'        A 106   7.392   4.817  -8.136
  703   HO2'    A 106          HO2         A 106   8.874   6.821  -6.862
  704    H1'    A 106           H1'        A 106   7.819   5.061  -5.158
  705    H8     A 106           8H         A 106   6.947   2.597  -8.054
  706    H61    A 106           1H6        A 106   9.101  -1.637  -3.944
  707    H62    A 106           2H6        A 106   8.549  -1.456  -5.609
  708    H2     A 106           2H         A 106   9.144   2.217  -2.013
  709    H5'    G 107           H5'        G 107   7.609   8.619  -3.805
  710   H5''    G 107          H5"         G 107   6.865   7.041  -3.540
  711    H4'    G 107           H4'        G 107   5.576   9.376  -2.161
  712    H3'    G 107           H3'        G 107   8.299   8.276  -1.422
  713    H2'    G 107           H2'        G 107   7.727   8.712   0.841
  714   HO2'    G 107          HO2         G 107   6.801  10.882   0.313
  715    H1'    G 107           H1'        G 107   4.963   8.150   0.455
  716    H8     G 107           8H         G 107   4.549   6.330   2.052
  717    H1     G 107           1H         G 107  10.499   3.941   1.569
  718    H21    G 107           1H2        G 107  11.595   5.038  -0.052
  719    H22    G 107           2H2        G 107  10.764   6.246  -1.021
  720    H5'    U 108           H5'        U 108  10.941  11.818   0.844
  721   H5''    U 108          H5"         U 108  11.868  10.523   0.070
  722    H4'    U 108           H4'        U 108  12.105  10.479   2.510
  723    H3'    U 108           H3'        U 108  11.324   8.186   0.951
  724   HO3'    U 108          H3T         U 108  13.311   8.292   2.045
  725    H2'    U 108           H2'        U 108   9.300   7.931   2.039
  726   HO2'    U 108          HO2         U 108  11.336   6.685   3.346
  727    H1'    U 108           H1'        U 108  10.527   9.149   4.530
  728    H3     U 108           3H         U 108   6.555  11.112   6.203
  729    H5     U 108           5H         U 108   5.655   7.359   4.605
  730    H6     U 108           6H         U 108   7.847   7.288   3.588
  Start of MODEL   17
    1    H    CYS  20           1H       CYS  20  10.098  -5.803   5.530
    2    HA   CYS  20           HA       CYS  20   8.076  -6.674   6.500
    3    HB2  CYS  20           1HB      CYS  20   7.103  -5.569   8.494
    4    HB3  CYS  20           2HB      CYS  20   8.583  -6.458   8.841
    5    HG   CYS  20           HG       CYS  20   8.435  -4.209  10.253
    6    H    LYS  21           H        LYS  21   9.218  -3.697   5.155
    7    HA   LYS  21           HA       LYS  21   6.453  -2.689   4.837
    8    HB2  LYS  21           1HB      LYS  21   8.242  -1.184   5.629
    9    HB3  LYS  21           2HB      LYS  21   9.081  -1.372   4.081
   10    HG2  LYS  21           1HG      LYS  21   7.278  -0.302   2.881
   11    HG3  LYS  21           2HG      LYS  21   6.179  -0.451   4.255
   12    HD2  LYS  21           1HD      LYS  21   7.586   1.147   5.547
   13    HD3  LYS  21           2HD      LYS  21   8.642   1.339   4.132
   14    HE2  LYS  21           1HE      LYS  21   6.820   2.220   2.801
   15    HE3  LYS  21           2HE      LYS  21   5.624   1.816   4.049
   16    HZ1  LYS  21           3HZ      LYS  21   6.415   4.197   3.904
   17    HZ2  LYS  21           1HZ      LYS  21   6.389   3.533   5.410
   18    HZ3  LYS  21           2HZ      LYS  21   7.815   3.710   4.577
   19    H    MET  22           H        MET  22   5.426  -2.362   2.967
   20    HA   MET  22           HA       MET  22   6.472  -3.556   0.446
   21    HB2  MET  22           1HB      MET  22   3.784  -4.117   1.776
   22    HB3  MET  22           2HB      MET  22   4.260  -4.645   0.161
   23    HG2  MET  22           1HG      MET  22   6.220  -5.864   1.230
   24    HG3  MET  22           2HG      MET  22   5.532  -5.447   2.795
   25    HE1  MET  22           3HE      MET  22   4.109  -8.575  -0.230
   26    HE2  MET  22           1HE      MET  22   4.059  -6.863  -0.699
   27    HE3  MET  22           2HE      MET  22   5.602  -7.619  -0.229
   28    H    PHE  23           H        PHE  23   5.850  -2.653  -1.356
   29    HA   PHE  23           HA       PHE  23   4.234  -0.157  -1.447
   30    HB2  PHE  23           1HB      PHE  23   6.279  -0.062  -2.691
   31    HB3  PHE  23           2HB      PHE  23   6.044  -1.666  -3.373
   32    HD1  PHE  23           2HD      PHE  23   4.400  -2.047  -5.216
   33    HD2  PHE  23           1HD      PHE  23   5.165   1.893  -3.657
   34    HE1  PHE  23           2HE      PHE  23   3.362  -1.062  -7.230
   35    HE2  PHE  23           1HE      PHE  23   4.121   2.864  -5.664
   36    HZ   PHE  23           HZ       PHE  23   3.219   1.416  -7.467
   37    H    ILE  24           H        ILE  24   2.229  -0.140  -2.433
   38    HA   ILE  24           HA       ILE  24   1.061  -2.790  -3.252
   39    HB   ILE  24           HB       ILE  24  -0.494  -0.570  -1.902
   40   HG12  ILE  24          1HG1      ILE  24   1.138  -1.139  -0.221
   41   HG13  ILE  24          2HG1      ILE  24  -0.463  -1.688   0.209
   42   HG21  ILE  24          1HG2      ILE  24  -1.728  -2.229  -3.229
   43   HG22  ILE  24          2HG2      ILE  24  -1.020  -3.548  -2.287
   44   HG23  ILE  24          3HG2      ILE  24  -2.102  -2.380  -1.504
   45   HD11  ILE  24          3HD1      ILE  24   1.361  -3.277   0.820
   46   HD12  ILE  24          1HD1      ILE  24   0.117  -3.997  -0.205
   47   HD13  ILE  24          2HD1      ILE  24   1.688  -3.543  -0.895
   48    H    GLY  25           H        GLY  25   1.058  -2.619  -5.460
   49    HA2  GLY  25           1HA      GLY  25   0.204  -0.094  -6.785
   50    HA3  GLY  25           2HA      GLY  25   0.923  -1.527  -7.545
   51    H    GLY  26           H        GLY  26  -1.243  -0.243  -8.661
   52    HA2  GLY  26           1HA      GLY  26  -3.056  -0.975  -9.895
   53    HA3  GLY  26           2HA      GLY  26  -2.959  -2.551  -9.078
   54    H    LEU  27           H        LEU  27  -3.295   0.158  -6.959
   55    HA   LEU  27           HA       LEU  27  -5.758  -0.813  -5.838
   56    HB2  LEU  27           1HB      LEU  27  -4.381   1.892  -5.529
   57    HB3  LEU  27           2HB      LEU  27  -5.687   1.298  -4.527
   58    HG   LEU  27           HG       LEU  27  -2.871   0.144  -4.647
   59   HD11  LEU  27          1HD1      LEU  27  -3.200   2.319  -3.442
   60   HD12  LEU  27          2HD1      LEU  27  -4.422   1.558  -2.428
   61   HD13  LEU  27          3HD1      LEU  27  -2.735   0.996  -2.355
   62   HD21  LEU  27          3HD2      LEU  27  -3.784  -1.200  -2.628
   63   HD22  LEU  27          1HD2      LEU  27  -5.380  -0.913  -3.341
   64   HD23  LEU  27          2HD2      LEU  27  -4.113  -1.748  -4.269
   65    H    SER  28           H        SER  28  -7.718   0.473  -5.534
   66    HA   SER  28           HA       SER  28  -8.791   1.484  -8.099
   67    HB2  SER  28           1HB      SER  28 -10.180   0.006  -6.749
   68    HB3  SER  28           2HB      SER  28 -10.016   1.069  -5.349
   69    HG   SER  28           HG       SER  28 -11.978   1.360  -6.413
   70    H    TRP  29           H        TRP  29  -9.596   3.583  -8.397
   71    HA   TRP  29           HA       TRP  29  -8.416   5.820  -7.017
   72    HB2  TRP  29           1HB      TRP  29 -10.693   5.465  -8.972
   73    HB3  TRP  29           2HB      TRP  29 -10.272   7.039  -8.304
   74    HD1  TRP  29           HD       TRP  29  -7.084   5.335  -8.855
   75    HE1  TRP  29           1HE      TRP  29  -6.003   6.002 -11.056
   76    HE3  TRP  29           3HE      TRP  29 -11.143   7.505 -11.099
   77    HZ2  TRP  29           2HZ      TRP  29  -6.748   7.473 -13.445
   78    HZ3  TRP  29           3HZ      TRP  29 -10.937   8.490 -13.366
   79    HH2  TRP  29           HH       TRP  29  -8.744   8.500 -14.540
   80    H    GLN  30           H        GLN  30 -10.842   3.730  -5.942
   81    HA   GLN  30           HA       GLN  30 -11.747   5.734  -3.901
   82    HB2  GLN  30           1HB      GLN  30 -13.172   3.249  -4.924
   83    HB3  GLN  30           2HB      GLN  30 -13.739   4.305  -3.623
   84    HG2  GLN  30           1HG      GLN  30 -13.783   6.228  -5.235
   85    HG3  GLN  30           2HG      GLN  30 -13.346   5.115  -6.534
   86   HE21  GLN  30          2HE2      GLN  30 -15.434   5.989  -7.489
   87   HE22  GLN  30          1HE2      GLN  30 -16.918   5.187  -6.999
   88    H    THR  31           H        THR  31  -9.396   3.433  -4.107
   89    HA   THR  31           HA       THR  31  -9.837   2.017  -1.597
   90    HB   THR  31           HB       THR  31  -7.270   2.518  -3.166
   91    HG1  THR  31           1HG      THR  31  -9.029   0.283  -3.045
   92   HG21  THR  31          3HG2      THR  31  -6.540   0.408  -1.951
   93   HG22  THR  31          1HG2      THR  31  -6.638   1.843  -0.934
   94   HG23  THR  31          2HG2      THR  31  -7.925   0.614  -0.869
   95    H    THR  32           H        THR  32  -9.049   2.478   0.416
   96    HA   THR  32           HA       THR  32  -7.647   5.066   0.912
   97    HB   THR  32           HB       THR  32  -8.876   5.311   2.999
   98    HG1  THR  32           1HG      THR  32 -10.688   3.864   3.324
   99   HG21  THR  32          3HG2      THR  32 -11.069   5.901   2.176
  100   HG22  THR  32          1HG2      THR  32  -9.881   6.293   0.921
  101   HG23  THR  32          2HG2      THR  32 -10.895   4.842   0.762
  102    H    GLN  33           H        GLN  33  -6.387   5.055   2.924
  103    HA   GLN  33           HA       GLN  33  -4.747   2.701   3.168
  104    HB2  GLN  33           1HB      GLN  33  -3.718   3.935   5.098
  105    HB3  GLN  33           2HB      GLN  33  -3.704   4.778   3.551
  106    HG2  GLN  33           1HG      GLN  33  -5.514   6.233   4.216
  107    HG3  GLN  33           2HG      GLN  33  -5.768   5.329   5.719
  108   HE21  GLN  33          2HE2      GLN  33  -3.694   7.728   4.089
  109   HE22  GLN  33          1HE2      GLN  33  -2.789   8.131   5.537
  110    H    GLU  34           H        GLU  34  -7.593   3.737   4.999
  111    HA   GLU  34           HA       GLU  34  -7.339   1.690   7.051
  112    HB2  GLU  34           1HB      GLU  34  -9.762   3.213   6.005
  113    HB3  GLU  34           2HB      GLU  34  -9.773   2.113   7.391
  114    HG2  GLU  34           1HG      GLU  34  -8.072   3.531   8.530
  115    HG3  GLU  34           2HG      GLU  34  -8.115   4.665   7.177
  116    H    GLY  35           H        GLY  35  -8.799   1.849   3.787
  117    HA2  GLY  35           1HA      GLY  35  -9.986  -0.772   3.771
  118    HA3  GLY  35           2HA      GLY  35  -9.539   0.212   2.357
  119    H    LEU  36           H        LEU  36  -6.685   0.402   2.952
  120    HA   LEU  36           HA       LEU  36  -5.705  -2.159   2.115
  121    HB2  LEU  36           1HB      LEU  36  -4.113   0.035   3.542
  122    HB3  LEU  36           2HB      LEU  36  -3.460  -1.330   2.664
  123    HG   LEU  36           HG       LEU  36  -4.874   1.079   1.503
  124   HD11  LEU  36          1HD1      LEU  36  -2.461   1.274   2.089
  125   HD12  LEU  36          2HD1      LEU  36  -2.111  -0.105   1.024
  126   HD13  LEU  36          3HD1      LEU  36  -2.751   1.399   0.342
  127   HD21  LEU  36          3HD2      LEU  36  -4.497   0.019  -0.717
  128   HD22  LEU  36          1HD2      LEU  36  -4.093  -1.506   0.098
  129   HD23  LEU  36          2HD2      LEU  36  -5.722  -0.793   0.253
  130    H    ARG  37           H        ARG  37  -5.616  -0.689   5.429
  131    HA   ARG  37           HA       ARG  37  -4.551  -3.021   6.661
  132    HB2  ARG  37           1HB      ARG  37  -4.713  -0.848   7.793
  133    HB3  ARG  37           2HB      ARG  37  -6.480  -0.943   7.794
  134    HG2  ARG  37           1HG      ARG  37  -6.420  -2.920   9.272
  135    HG3  ARG  37           2HG      ARG  37  -4.651  -2.953   9.184
  136    HD2  ARG  37           1HD      ARG  37  -4.668  -0.624  10.164
  137    HD3  ARG  37           2HD      ARG  37  -6.422  -0.778  10.345
  138    HE   ARG  37           HE       ARG  37  -4.679  -2.850  11.622
  139   HH11  ARG  37          1HH1      ARG  37  -6.635   0.062  12.185
  140   HH12  ARG  37          2HH1      ARG  37  -6.870  -0.326  13.863
  141   HH21  ARG  37          1HH2      ARG  37  -5.119  -3.332  13.741
  142   HH22  ARG  37          2HH2      ARG  37  -5.995  -2.198  14.742
  143    H    GLU  38           H        GLU  38  -7.932  -2.202   5.939
  144    HA   GLU  38           HA       GLU  38  -9.182  -4.359   7.184
  145    HB2  GLU  38           1HB      GLU  38 -10.064  -2.237   5.739
  146    HB3  GLU  38           2HB      GLU  38 -10.270  -3.491   4.514
  147    HG2  GLU  38           1HG      GLU  38 -11.554  -4.825   6.220
  148    HG3  GLU  38           2HG      GLU  38 -11.341  -3.484   7.356
  149    H    TYR  39           H        TYR  39  -7.540  -4.320   4.031
  150    HA   TYR  39           HA       TYR  39  -8.269  -7.110   3.413
  151    HB2  TYR  39           1HB      TYR  39  -8.172  -5.360   1.684
  152    HB3  TYR  39           2HB      TYR  39  -6.457  -5.120   1.998
  153    HD1  TYR  39           2HD      TYR  39  -8.957  -7.756   1.057
  154    HD2  TYR  39           1HD      TYR  39  -4.853  -6.452   0.840
  155    HE1  TYR  39           2HE      TYR  39  -8.426  -9.693  -0.397
  156    HE2  TYR  39           1HE      TYR  39  -4.317  -8.371  -0.633
  157    HH   TYR  39           HH       TYR  39  -6.803 -10.833  -1.523
  158    H    PHE  40           H        PHE  40  -5.320  -5.298   4.325
  159    HA   PHE  40           HA       PHE  40  -3.662  -7.647   4.111
  160    HB2  PHE  40           1HB      PHE  40  -3.163  -4.774   4.853
  161    HB3  PHE  40           2HB      PHE  40  -1.908  -5.965   5.041
  162    HD1  PHE  40           2HD      PHE  40  -1.702  -7.665   2.868
  163    HD2  PHE  40           1HD      PHE  40  -3.233  -3.640   2.765
  164    HE1  PHE  40           2HE      PHE  40  -1.313  -7.576   0.424
  165    HE2  PHE  40           1HE      PHE  40  -2.866  -3.562   0.325
  166    HZ   PHE  40           HZ       PHE  40  -1.910  -5.525  -0.857
  167    H    GLY  41           H        GLY  41  -5.418  -6.289   6.787
  168    HA2  GLY  41           1HA      GLY  41  -4.030  -7.529   8.947
  169    HA3  GLY  41           2HA      GLY  41  -5.738  -7.064   8.919
  170    H    GLN  42           H        GLN  42  -5.748  -9.062   6.410
  171    HA   GLN  42           HA       GLN  42  -6.578 -11.488   7.794
  172    HB2  GLN  42           1HB      GLN  42  -5.883 -11.012   4.860
  173    HB3  GLN  42           2HB      GLN  42  -6.741 -12.408   5.514
  174    HG2  GLN  42           1HG      GLN  42  -8.607 -10.926   6.235
  175    HG3  GLN  42           2HG      GLN  42  -7.758  -9.536   5.547
  176   HE21  GLN  42          2HE2      GLN  42  -7.243  -9.646   3.158
  177   HE22  GLN  42          1HE2      GLN  42  -8.401 -10.484   2.125
  178    H    PHE  43           H        PHE  43  -3.544 -10.300   6.477
  179    HA   PHE  43           HA       PHE  43  -2.268 -12.982   6.577
  180    HB2  PHE  43           1HB      PHE  43  -1.217 -10.347   5.485
  181    HB3  PHE  43           2HB      PHE  43  -0.513 -11.931   5.258
  182    HD1  PHE  43           1HD      PHE  43  -1.582 -13.579   3.698
  183    HD2  PHE  43           2HD      PHE  43  -3.189  -9.638   4.222
  184    HE1  PHE  43           1HE      PHE  43  -2.897 -13.847   1.619
  185    HE2  PHE  43           2HE      PHE  43  -4.514  -9.887   2.138
  186    HZ   PHE  43           HZ       PHE  43  -4.367 -12.005   0.830
  187    H    GLY  44           H        GLY  44  -2.153  -9.822   8.109
  188    HA2  GLY  44           1HA      GLY  44  -1.163 -10.628  10.600
  189    HA3  GLY  44           2HA      GLY  44   0.239 -10.092   9.684
  190    H    GLU  45           H        GLU  45  -0.787  -8.744  12.048
  191    HA   GLU  45           HA       GLU  45  -2.405  -6.488  11.307
  192    HB2  GLU  45           1HB      GLU  45  -2.211  -7.320  13.624
  193    HB3  GLU  45           2HB      GLU  45  -0.516  -6.836  13.666
  194    HG2  GLU  45           1HG      GLU  45  -1.978  -5.243  14.826
  195    HG3  GLU  45           2HG      GLU  45  -1.130  -4.478  13.493
  196    H    VAL  46           H        VAL  46  -1.814  -4.295  11.020
  197    HA   VAL  46           HA       VAL  46   0.825  -4.023   9.690
  198    HB   VAL  46           HB       VAL  46  -0.064  -2.419   8.268
  199   HG11  VAL  46          1HG1      VAL  46  -0.520  -4.795   7.682
  200   HG12  VAL  46          2HG1      VAL  46  -2.132  -4.654   8.426
  201   HG13  VAL  46          3HG1      VAL  46  -1.723  -3.684   7.006
  202   HG21  VAL  46          3HG2      VAL  46  -2.473  -1.764   8.240
  203   HG22  VAL  46          1HG2      VAL  46  -2.603  -2.450   9.882
  204   HG23  VAL  46          2HG2      VAL  46  -1.523  -1.075   9.559
  205    H    LYS  47           H        LYS  47   2.227  -2.619  10.235
  206    HA   LYS  47           HA       LYS  47   2.048  -1.063  12.724
  207    HB2  LYS  47           1HB      LYS  47   3.951  -2.582  12.052
  208    HB3  LYS  47           2HB      LYS  47   4.321  -1.494  10.716
  209    HG2  LYS  47           1HG      LYS  47   4.895   0.303  12.249
  210    HG3  LYS  47           2HG      LYS  47   4.236  -0.607  13.617
  211    HD2  LYS  47           1HD      LYS  47   6.004  -2.368  13.234
  212    HD3  LYS  47           2HD      LYS  47   6.707  -1.319  11.979
  213    HE2  LYS  47           1HE      LYS  47   6.966   0.495  13.679
  214    HE3  LYS  47           2HE      LYS  47   6.253  -0.560  14.907
  215    HZ1  LYS  47           3HZ      LYS  47   8.676  -0.585  15.013
  216    HZ2  LYS  47           1HZ      LYS  47   8.138  -2.071  14.608
  217    HZ3  LYS  47           2HZ      LYS  47   8.795  -1.098  13.467
  218    H    GLU  48           H        GLU  48   1.865  -0.498   9.292
  219    HA   GLU  48           HA       GLU  48   1.210   2.323   9.588
  220    HB2  GLU  48           1HB      GLU  48   3.702   2.385   9.613
  221    HB3  GLU  48           2HB      GLU  48   3.733   1.502   8.088
  222    HG2  GLU  48           1HG      GLU  48   2.688   3.370   6.917
  223    HG3  GLU  48           2HG      GLU  48   2.478   4.244   8.441
  224    H    CYS  49           H        CYS  49   0.125   3.079   7.726
  225    HA   CYS  49           HA       CYS  49   0.041   1.500   5.282
  226    HB2  CYS  49           1HB      CYS  49  -2.449   1.255   5.315
  227    HB3  CYS  49           2HB      CYS  49  -1.616   0.280   6.529
  228    HG   CYS  49           HG       CYS  49  -1.966   1.943   8.535
  229    H    LEU  50           H        LEU  50  -0.482   2.709   3.514
  230    HA   LEU  50           HA       LEU  50  -1.182   5.593   3.800
  231    HB2  LEU  50           1HB      LEU  50   1.324   4.418   2.526
  232    HB3  LEU  50           2HB      LEU  50   0.796   6.066   2.272
  233    HG   LEU  50           HG       LEU  50   1.691   4.945   4.952
  234   HD11  LEU  50          1HD1      LEU  50   3.514   5.078   3.277
  235   HD12  LEU  50          2HD1      LEU  50   3.110   6.774   2.943
  236   HD13  LEU  50          3HD1      LEU  50   3.719   6.292   4.544
  237   HD21  LEU  50          3HD2      LEU  50   1.741   7.335   5.637
  238   HD22  LEU  50          1HD2      LEU  50   1.052   7.805   4.069
  239   HD23  LEU  50          2HD2      LEU  50   0.098   6.838   5.215
  240    H    VAL  51           H        VAL  51  -1.855   6.554   1.890
  241    HA   VAL  51           HA       VAL  51  -1.878   5.068  -0.659
  242    HB   VAL  51           HB       VAL  51  -4.388   6.261   0.603
  243   HG11  VAL  51          1HG1      VAL  51  -4.309   7.035  -1.717
  244   HG12  VAL  51          2HG1      VAL  51  -3.941   5.387  -2.285
  245   HG13  VAL  51          3HG1      VAL  51  -5.520   5.768  -1.558
  246   HG21  VAL  51          3HG2      VAL  51  -5.361   4.027   0.063
  247   HG22  VAL  51          1HG2      VAL  51  -3.766   3.479  -0.485
  248   HG23  VAL  51          2HG2      VAL  51  -4.028   3.925   1.218
  249    H    MET  52           H        MET  52  -1.173   6.400  -2.214
  250    HA   MET  52           HA       MET  52  -0.348   9.104  -1.360
  251    HB2  MET  52           1HB      MET  52   0.411   7.328  -3.702
  252    HB3  MET  52           2HB      MET  52   1.085   8.945  -3.409
  253    HG2  MET  52           1HG      MET  52   1.277   6.706  -1.374
  254    HG3  MET  52           2HG      MET  52   2.497   7.053  -2.573
  255    HE1  MET  52           3HE      MET  52   2.157   8.860   1.443
  256    HE2  MET  52           1HE      MET  52   0.716   8.244   0.595
  257    HE3  MET  52           2HE      MET  52   2.134   7.186   0.828
  258    H    ARG  53           H        ARG  53  -2.962   9.297  -1.569
  259    HA   ARG  53           HA       ARG  53  -3.819   9.934  -4.236
  260    HB2  ARG  53           1HB      ARG  53  -5.985  10.358  -3.362
  261    HB3  ARG  53           2HB      ARG  53  -5.335   8.945  -2.539
  262    HG2  ARG  53           1HG      ARG  53  -4.752  10.442  -0.579
  263    HG3  ARG  53           2HG      ARG  53  -5.591  11.762  -1.435
  264    HD2  ARG  53           1HD      ARG  53  -7.668  10.439  -1.477
  265    HD3  ARG  53           2HD      ARG  53  -6.849   9.111  -0.626
  266    HE   ARG  53           HE       ARG  53  -6.503  11.445   0.924
  267   HH11  ARG  53          1HH1      ARG  53  -9.217   9.387  -0.038
  268   HH12  ARG  53          2HH1      ARG  53 -10.132   9.776   1.388
  269   HH21  ARG  53          1HH2      ARG  53  -7.737  11.900   2.737
  270   HH22  ARG  53          2HH2      ARG  53  -9.303  11.175   2.936
  271    H    ASP  54           H        ASP  54  -4.441  11.844  -5.152
  272    HA   ASP  54           HA       ASP  54  -2.987  14.262  -4.386
  273    HB2  ASP  54           1HB      ASP  54  -3.257  13.504  -6.726
  274    HB3  ASP  54           2HB      ASP  54  -5.004  13.693  -6.590
  275    HA   PRO  55           HA       PRO  55  -6.495  15.534  -1.914
  276    HB2  PRO  55           1HB      PRO  55  -5.688  17.974  -1.002
  277    HB3  PRO  55           2HB      PRO  55  -4.855  16.458  -0.536
  278    HG2  PRO  55           1HG      PRO  55  -4.086  18.398  -2.748
  279    HG3  PRO  55           2HG      PRO  55  -3.040  17.738  -1.449
  280    HD2  PRO  55           1HD      PRO  55  -3.128  16.630  -3.947
  281    HD3  PRO  55           2HD      PRO  55  -2.928  15.623  -2.479
  282    H    LEU  56           H        LEU  56  -5.726  17.193  -4.893
  283    HA   LEU  56           HA       LEU  56  -8.046  19.027  -4.709
  284    HB2  LEU  56           1HB      LEU  56  -5.946  18.624  -6.881
  285    HB3  LEU  56           2HB      LEU  56  -7.140  19.896  -6.793
  286    HG   LEU  56           HG       LEU  56  -4.794  19.513  -4.882
  287   HD11  LEU  56          1HD1      LEU  56  -4.168  20.318  -7.128
  288   HD12  LEU  56          2HD1      LEU  56  -5.344  21.644  -6.991
  289   HD13  LEU  56          3HD1      LEU  56  -3.940  21.579  -5.904
  290   HD21  LEU  56          3HD2      LEU  56  -5.437  21.738  -3.955
  291   HD22  LEU  56          1HD2      LEU  56  -6.925  21.700  -4.926
  292   HD23  LEU  56          2HD2      LEU  56  -6.661  20.507  -3.632
  293    H    THR  57           H        THR  57  -6.830  16.245  -6.628
  294    HA   THR  57           HA       THR  57  -9.439  16.092  -8.080
  295    HB   THR  57           HB       THR  57  -8.268  14.775  -9.722
  296    HG1  THR  57           1HG      THR  57  -6.000  14.438  -9.433
  297   HG21  THR  57          3HG2      THR  57  -6.720  16.394 -10.615
  298   HG22  THR  57          1HG2      THR  57  -8.066  17.269  -9.865
  299   HG23  THR  57          2HG2      THR  57  -6.499  17.157  -9.028
  300    H    LYS  58           H        LYS  58  -7.910  14.633  -5.493
  301    HA   LYS  58           HA       LYS  58  -8.354  12.913  -4.138
  302    HB2  LYS  58           1HB      LYS  58 -11.012  13.000  -5.619
  303    HB3  LYS  58           2HB      LYS  58 -10.696  11.850  -4.337
  304    HG2  LYS  58           1HG      LYS  58 -11.898  13.756  -3.488
  305    HG3  LYS  58           2HG      LYS  58 -10.325  13.599  -2.707
  306    HD2  LYS  58           1HD      LYS  58  -9.438  15.481  -3.935
  307    HD3  LYS  58           2HD      LYS  58 -10.876  15.547  -4.985
  308    HE2  LYS  58           1HE      LYS  58 -12.279  16.155  -3.072
  309    HE3  LYS  58           2HE      LYS  58 -10.914  15.962  -1.962
  310    HZ1  LYS  58           3HZ      LYS  58 -11.303  18.295  -2.585
  311    HZ2  LYS  58           1HZ      LYS  58  -9.810  17.797  -3.030
  312    HZ3  LYS  58           2HZ      LYS  58 -10.995  17.957  -4.158
  313    H    ARG  59           H        ARG  59  -7.606  12.355  -7.265
  314    HA   ARG  59           HA       ARG  59  -7.949   9.514  -7.590
  315    HB2  ARG  59           1HB      ARG  59  -5.718  11.285  -8.679
  316    HB3  ARG  59           2HB      ARG  59  -6.150   9.672  -9.236
  317    HG2  ARG  59           1HG      ARG  59  -7.746  12.223  -9.542
  318    HG3  ARG  59           2HG      ARG  59  -7.036  11.191 -10.793
  319    HD2  ARG  59           1HD      ARG  59  -8.645   9.369  -9.983
  320    HD3  ARG  59           2HD      ARG  59  -9.478  10.625  -9.065
  321    HE   ARG  59           HE       ARG  59  -9.485  10.177 -11.948
  322   HH11  ARG  59          1HH1      ARG  59 -10.174  12.694  -9.504
  323   HH12  ARG  59          2HH1      ARG  59 -11.235  13.531 -10.592
  324   HH21  ARG  59          1HH2      ARG  59 -10.822  11.365 -13.264
  325   HH22  ARG  59          2HH2      ARG  59 -11.582  12.811 -12.677
  326    H    SER  60           H        SER  60  -6.864   7.847  -6.918
  327    HA   SER  60           HA       SER  60  -5.082   8.119  -4.592
  328    HB2  SER  60           1HB      SER  60  -5.334   5.711  -4.425
  329    HB3  SER  60           2HB      SER  60  -6.920   6.439  -4.735
  330    HG   SER  60           HG       SER  60  -6.613   4.658  -6.081
  331    H    ARG  61           H        ARG  61  -4.433   8.262  -7.828
  332    HA   ARG  61           HA       ARG  61  -2.707   7.837  -9.243
  333    HB2  ARG  61           1HB      ARG  61  -1.159   7.713  -6.629
  334    HB3  ARG  61           2HB      ARG  61  -0.396   7.296  -8.137
  335    HG2  ARG  61           1HG      ARG  61  -1.877   9.894  -8.091
  336    HG3  ARG  61           2HG      ARG  61  -0.399   9.785  -7.133
  337    HD2  ARG  61           1HD      ARG  61  -0.556   9.103 -10.102
  338    HD3  ARG  61           2HD      ARG  61  -0.032  10.644  -9.431
  339    HE   ARG  61           HE       ARG  61   1.918   9.672  -8.502
  340   HH11  ARG  61          1HH1      ARG  61   0.284   7.306 -10.644
  341   HH12  ARG  61          2HH1      ARG  61   1.790   6.406 -10.793
  342   HH21  ARG  61          1HH2      ARG  61   3.734   8.286  -8.777
  343   HH22  ARG  61          2HH2      ARG  61   3.534   6.938  -9.891
  344    H    GLY  62           H        GLY  62  -4.214   5.511  -7.549
  345    HA2  GLY  62           1HA      GLY  62  -4.499   3.272  -7.821
  346    HA3  GLY  62           2HA      GLY  62  -3.358   3.293  -9.178
  347    H    PHE  63           H        PHE  63  -2.246   4.487  -6.005
  348    HA   PHE  63           HA       PHE  63  -1.225   1.881  -5.245
  349    HB2  PHE  63           1HB      PHE  63   1.035   2.114  -5.624
  350    HB3  PHE  63           2HB      PHE  63   0.362   2.766  -7.093
  351    HD1  PHE  63           2HD      PHE  63   0.327   5.308  -7.399
  352    HD2  PHE  63           1HD      PHE  63   2.338   3.407  -4.103
  353    HE1  PHE  63           2HE      PHE  63   1.550   7.438  -6.907
  354    HE2  PHE  63           1HE      PHE  63   3.628   5.477  -3.699
  355    HZ   PHE  63           HZ       PHE  63   3.199   7.502  -5.040
  356    H    GLY  64           H        GLY  64   0.042   1.788  -3.372
  357    HA2  GLY  64           1HA      GLY  64   0.343   4.096  -1.582
  358    HA3  GLY  64           2HA      GLY  64  -0.836   2.911  -1.051
  359    H    PHE  65           H        PHE  65   0.483   2.569   0.786
  360    HA   PHE  65           HA       PHE  65   2.624   0.553   0.420
  361    HB2  PHE  65           1HB      PHE  65   2.998   3.224   1.818
  362    HB3  PHE  65           2HB      PHE  65   3.953   1.827   2.232
  363    HD1  PHE  65           1HD      PHE  65   3.286   4.336  -0.443
  364    HD2  PHE  65           2HD      PHE  65   5.725   1.005   0.845
  365    HE1  PHE  65           1HE      PHE  65   4.998   4.921  -2.117
  366    HE2  PHE  65           2HE      PHE  65   7.434   1.617  -0.838
  367    HZ   PHE  65           HZ       PHE  65   7.074   3.599  -2.314
  368    H    VAL  66           H        VAL  66   2.949  -0.769   2.216
  369    HA   VAL  66           HA       VAL  66   1.424  -0.268   4.715
  370    HB   VAL  66           HB       VAL  66   1.142  -2.822   3.076
  371   HG11  VAL  66          1HG1      VAL  66   1.413  -3.492   5.429
  372   HG12  VAL  66          2HG1      VAL  66   0.195  -2.291   5.921
  373   HG13  VAL  66          3HG1      VAL  66  -0.264  -3.692   4.931
  374   HG21  VAL  66          3HG2      VAL  66  -1.295  -2.365   3.278
  375   HG22  VAL  66          1HG2      VAL  66  -0.939  -0.840   4.114
  376   HG23  VAL  66          2HG2      VAL  66  -0.459  -1.074   2.419
  377    H    THR  67           H        THR  67   2.543  -0.836   6.485
  378    HA   THR  67           HA       THR  67   4.969  -2.596   6.244
  379    HB   THR  67           HB       THR  67   4.462  -0.562   8.451
  380    HG1  THR  67           1HG      THR  67   5.891   0.755   7.322
  381   HG21  THR  67          3HG2      THR  67   6.897  -0.831   8.823
  382   HG22  THR  67          1HG2      THR  67   6.043  -2.364   9.028
  383   HG23  THR  67          2HG2      THR  67   6.961  -2.057   7.539
  384    H    PHE  68           H        PHE  68   4.903  -4.439   7.400
  385    HA   PHE  68           HA       PHE  68   2.507  -4.983   9.061
  386    HB2  PHE  68           1HB      PHE  68   4.686  -6.723   7.891
  387    HB3  PHE  68           2HB      PHE  68   3.490  -7.311   9.037
  388    HD1  PHE  68           1HD      PHE  68   3.869  -5.843   5.618
  389    HD2  PHE  68           2HD      PHE  68   1.231  -7.770   8.431
  390    HE1  PHE  68           1HE      PHE  68   2.226  -6.248   3.802
  391    HE2  PHE  68           2HE      PHE  68  -0.403  -8.180   6.614
  392    HZ   PHE  68           HZ       PHE  68   0.093  -7.424   4.299
  393    H    MET  69           H        MET  69   2.582  -5.770  11.176
  394    HA   MET  69           HA       MET  69   4.759  -4.859  12.907
  395    HB2  MET  69           1HB      MET  69   2.303  -6.588  13.466
  396    HB3  MET  69           2HB      MET  69   3.439  -5.990  14.684
  397    HG2  MET  69           1HG      MET  69   2.963  -3.646  13.752
  398    HG3  MET  69           2HG      MET  69   1.556  -4.368  12.955
  399    HE1  MET  69           3HE      MET  69   0.415  -2.140  16.090
  400    HE2  MET  69           1HE      MET  69   1.936  -1.932  15.198
  401    HE3  MET  69           2HE      MET  69   0.418  -2.247  14.319
  402    H    ASP  70           H        ASP  70   4.435  -7.572  10.971
  403    HA   ASP  70           HA       ASP  70   6.778  -8.888  12.114
  404    HB2  ASP  70           1HB      ASP  70   5.692 -11.073  12.358
  405    HB3  ASP  70           2HB      ASP  70   5.053  -9.892  13.486
  406    H    GLN  71           H        GLN  71   7.904 -10.118  10.647
  407    HA   GLN  71           HA       GLN  71   7.425  -9.602   7.859
  408    HB2  GLN  71           1HB      GLN  71   9.647  -9.895   9.029
  409    HB3  GLN  71           2HB      GLN  71   9.307 -11.613   9.165
  410    HG2  GLN  71           1HG      GLN  71  10.806 -11.215   7.297
  411    HG3  GLN  71           2HG      GLN  71   9.277 -11.834   6.701
  412   HE21  GLN  71          2HE2      GLN  71  10.169 -10.925   4.602
  413   HE22  GLN  71          1HE2      GLN  71   9.882  -9.222   4.283
  414    H    ALA  72           H        ALA  72   6.450 -12.222   9.953
  415    HA   ALA  72           HA       ALA  72   5.982 -14.243   7.998
  416    HB1  ALA  72           1HB      ALA  72   6.050 -14.619  10.457
  417    HB2  ALA  72           2HB      ALA  72   4.512 -13.729  10.615
  418    HB3  ALA  72           3HB      ALA  72   4.567 -15.256   9.715
  419    H    GLY  73           H        GLY  73   4.077 -11.330   8.633
  420    HA2  GLY  73           1HA      GLY  73   1.800 -12.300   7.010
  421    HA3  GLY  73           2HA      GLY  73   2.043 -10.664   7.659
  422    H    VAL  74           H        VAL  74   4.726 -10.392   6.493
  423    HA   VAL  74           HA       VAL  74   4.121  -9.555   3.781
  424    HB   VAL  74           HB       VAL  74   6.785  -9.965   5.193
  425   HG11  VAL  74          1HG1      VAL  74   7.297 -10.298   2.885
  426   HG12  VAL  74          2HG1      VAL  74   6.283  -8.933   2.382
  427   HG13  VAL  74          3HG1      VAL  74   7.780  -8.653   3.292
  428   HG21  VAL  74          3HG2      VAL  74   6.866  -7.498   5.130
  429   HG22  VAL  74          1HG2      VAL  74   5.237  -7.466   4.440
  430   HG23  VAL  74          2HG2      VAL  74   5.502  -8.101   6.080
  431    H    ASP  75           H        ASP  75   5.836 -12.398   5.186
  432    HA   ASP  75           HA       ASP  75   6.522 -13.802   2.907
  433    HB2  ASP  75           1HB      ASP  75   6.964 -14.408   5.322
  434    HB3  ASP  75           2HB      ASP  75   5.316 -14.992   5.442
  435    H    LYS  76           H        LYS  76   3.314 -13.982   4.539
  436    HA   LYS  76           HA       LYS  76   2.134 -15.794   2.668
  437    HB2  LYS  76           1HB      LYS  76   0.817 -13.687   4.425
  438    HB3  LYS  76           2HB      LYS  76  -0.001 -15.048   3.622
  439    HG2  LYS  76           1HG      LYS  76   1.247 -16.656   4.984
  440    HG3  LYS  76           2HG      LYS  76   2.117 -15.332   5.769
  441    HD2  LYS  76           1HD      LYS  76  -0.269 -14.388   6.354
  442    HD3  LYS  76           2HD      LYS  76  -0.862 -15.973   5.857
  443    HE2  LYS  76           1HE      LYS  76  -0.655 -16.190   8.164
  444    HE3  LYS  76           2HE      LYS  76   0.830 -16.943   7.560
  445    HZ1  LYS  76           3HZ      LYS  76   1.271 -15.403   9.397
  446    HZ2  LYS  76           1HZ      LYS  76   1.977 -14.833   8.027
  447    HZ3  LYS  76           2HZ      LYS  76   0.586 -14.155   8.579
  448    H    VAL  77           H        VAL  77   2.348 -12.248   2.602
  449    HA   VAL  77           HA       VAL  77   0.462 -11.935   0.416
  450    HB   VAL  77           HB       VAL  77   2.552 -10.017   1.496
  451   HG11  VAL  77          1HG1      VAL  77   2.036  -9.333  -0.821
  452   HG12  VAL  77          2HG1      VAL  77   0.296  -9.439  -0.474
  453   HG13  VAL  77          3HG1      VAL  77   1.303  -8.219   0.332
  454   HG21  VAL  77          3HG2      VAL  77   0.615  -8.910   2.546
  455   HG22  VAL  77          1HG2      VAL  77  -0.502 -10.063   1.783
  456   HG23  VAL  77          2HG2      VAL  77   0.617 -10.608   3.034
  457    H    LEU  78           H        LEU  78   4.006 -12.417   0.556
  458    HA   LEU  78           HA       LEU  78   4.391 -12.085  -2.321
  459    HB2  LEU  78           1HB      LEU  78   6.049 -13.541  -0.230
  460    HB3  LEU  78           2HB      LEU  78   6.608 -13.038  -1.823
  461    HG   LEU  78           HG       LEU  78   5.676 -11.072   0.322
  462   HD11  LEU  78          1HD1      LEU  78   7.505 -12.407   1.132
  463   HD12  LEU  78          2HD1      LEU  78   8.435 -12.149  -0.361
  464   HD13  LEU  78          3HD1      LEU  78   8.119 -10.779   0.736
  465   HD21  LEU  78          3HD2      LEU  78   6.933  -9.423  -1.006
  466   HD22  LEU  78          1HD2      LEU  78   7.249 -10.655  -2.251
  467   HD23  LEU  78          2HD2      LEU  78   5.583 -10.113  -1.913
  468    H    ALA  79           H        ALA  79   3.912 -14.847  -0.134
  469    HA   ALA  79           HA       ALA  79   4.354 -16.859  -2.063
  470    HB1  ALA  79           1HB      ALA  79   4.542 -17.179   0.372
  471    HB2  ALA  79           2HB      ALA  79   2.783 -16.960   0.550
  472    HB3  ALA  79           3HB      ALA  79   3.426 -18.364  -0.328
  473    H    GLN  80           H        GLN  80   1.501 -14.924  -1.686
  474    HA   GLN  80           HA       GLN  80  -0.274 -16.908  -2.989
  475    HB2  GLN  80           1HB      GLN  80  -1.039 -15.692  -0.993
  476    HB3  GLN  80           2HB      GLN  80  -0.838 -14.150  -1.831
  477    HG2  GLN  80           1HG      GLN  80  -2.565 -14.767  -3.459
  478    HG3  GLN  80           2HG      GLN  80  -2.689 -16.390  -2.778
  479   HE21  GLN  80          2HE2      GLN  80  -4.291 -13.485  -2.846
  480   HE22  GLN  80          1HE2      GLN  80  -5.128 -13.637  -1.298
  481    H    SER  81           H        SER  81  -0.971 -16.775  -5.086
  482    HA   SER  81           HA       SER  81   0.662 -15.273  -6.878
  483    HB2  SER  81           1HB      SER  81  -1.771 -16.973  -7.506
  484    HB3  SER  81           2HB      SER  81  -0.449 -16.548  -8.605
  485    HG   SER  81           HG       SER  81  -0.191 -18.664  -7.727
  486    H    ARG  82           H        ARG  82  -2.273 -14.235  -5.496
  487    HA   ARG  82           HA       ARG  82  -2.517 -11.953  -7.266
  488    HB2  ARG  82           1HB      ARG  82  -3.659 -13.657  -8.653
  489    HB3  ARG  82           2HB      ARG  82  -4.745 -14.045  -7.312
  490    HG2  ARG  82           1HG      ARG  82  -5.721 -11.804  -7.398
  491    HG3  ARG  82           2HG      ARG  82  -4.519 -11.287  -8.595
  492    HD2  ARG  82           1HD      ARG  82  -5.479 -12.831 -10.242
  493    HD3  ARG  82           2HD      ARG  82  -6.631 -13.440  -9.048
  494    HE   ARG  82           HE       ARG  82  -6.659 -10.809 -10.411
  495   HH11  ARG  82          1HH1      ARG  82  -8.292 -12.792  -7.918
  496   HH12  ARG  82          2HH1      ARG  82  -9.585 -11.601  -7.812
  497   HH21  ARG  82          1HH2      ARG  82  -8.366  -9.375 -10.044
  498   HH22  ARG  82          2HH2      ARG  82  -9.657  -9.885  -8.948
  499    H    HIS  83           H        HIS  83  -3.815 -10.322  -6.427
  500    HA   HIS  83           HA       HIS  83  -5.300 -10.759  -3.894
  501    HB2  HIS  83           1HB      HIS  83  -3.121  -8.698  -4.406
  502    HB3  HIS  83           2HB      HIS  83  -4.255  -8.609  -3.056
  503    HD1  HIS  83           1HD      HIS  83  -3.990 -10.618  -1.177
  504    HD2  HIS  83           2HD      HIS  83  -1.058 -10.354  -4.177
  505    HE1  HIS  83           1HE      HIS  83  -2.010 -12.030  -0.379
  506    H    GLU  84           H        GLU  84  -6.926  -9.099  -3.491
  507    HA   GLU  84           HA       GLU  84  -7.668  -7.320  -5.722
  508    HB2  GLU  84           1HB      GLU  84  -8.495  -9.625  -6.309
  509    HB3  GLU  84           2HB      GLU  84  -9.473  -9.602  -4.838
  510    HG2  GLU  84           1HG      GLU  84 -10.591  -7.490  -5.735
  511    HG3  GLU  84           2HG      GLU  84  -9.699  -7.738  -7.240
  512    H    LEU  85           H        LEU  85  -8.657  -5.563  -5.012
  513    HA   LEU  85           HA       LEU  85 -10.208  -5.494  -2.505
  514    HB2  LEU  85           1HB      LEU  85  -7.929  -5.128  -1.728
  515    HB3  LEU  85           2HB      LEU  85  -7.639  -3.939  -3.000
  516    HG   LEU  85           HG       LEU  85  -9.248  -2.384  -1.948
  517   HD11  LEU  85          1HD1      LEU  85 -10.816  -3.881  -0.833
  518   HD12  LEU  85          2HD1      LEU  85  -9.523  -4.569   0.164
  519   HD13  LEU  85          3HD1      LEU  85 -10.032  -2.886   0.403
  520   HD21  LEU  85          3HD2      LEU  85  -7.871  -1.848   0.016
  521   HD22  LEU  85          1HD2      LEU  85  -7.138  -3.466  -0.028
  522   HD23  LEU  85          2HD2      LEU  85  -6.854  -2.319  -1.357
  523    H    ASP  86           H        ASP  86 -11.902  -4.158  -2.729
  524    HA   ASP  86           HA       ASP  86 -13.504  -2.944  -3.725
  525    HB2  ASP  86           1HB      ASP  86 -11.859  -1.136  -3.142
  526    HB3  ASP  86           2HB      ASP  86 -11.291  -1.169  -4.809
  527    H    SER  87           H        SER  87 -12.718  -5.232  -5.102
  528    HA   SER  87           HA       SER  87 -13.056  -6.411  -7.009
  529    HB2  SER  87           1HB      SER  87 -14.525  -3.983  -8.088
  530    HB3  SER  87           2HB      SER  87 -14.613  -5.646  -8.675
  531    HG   SER  87           HG       SER  87 -15.409  -4.743  -6.084
  532    H    LYS  88           H        LYS  88 -10.667  -4.514  -6.786
  533    HA   LYS  88           HA       LYS  88  -9.801  -4.503  -9.659
  534    HB2  LYS  88           1HB      LYS  88  -9.512  -2.548  -7.377
  535    HB3  LYS  88           2HB      LYS  88  -8.144  -2.718  -8.453
  536    HG2  LYS  88           1HG      LYS  88 -10.896  -2.272  -9.651
  537    HG3  LYS  88           2HG      LYS  88 -10.024  -0.923  -8.909
  538    HD2  LYS  88           1HD      LYS  88  -8.076  -1.320 -10.327
  539    HD3  LYS  88           2HD      LYS  88  -8.890  -2.675 -11.134
  540    HE2  LYS  88           1HE      LYS  88 -10.518  -1.237 -12.139
  541    HE3  LYS  88           2HE      LYS  88 -10.130   0.100 -11.059
  542    HZ1  LYS  88           3HZ      LYS  88  -9.110   0.477 -13.209
  543    HZ2  LYS  88           1HZ      LYS  88  -7.899   0.190 -12.135
  544    HZ3  LYS  88           2HZ      LYS  88  -8.358  -0.972 -13.190
  545    H    THR  89           H        THR  89  -8.065  -5.728 -10.135
  546    HA   THR  89           HA       THR  89  -6.753  -7.454  -8.234
  547    HB   THR  89           HB       THR  89  -5.800  -6.635 -11.011
  548    HG1  THR  89           1HG      THR  89  -7.091  -8.193 -11.783
  549   HG21  THR  89          3HG2      THR  89  -4.814  -8.947 -10.969
  550   HG22  THR  89          1HG2      THR  89  -4.110  -7.885  -9.742
  551   HG23  THR  89          2HG2      THR  89  -5.316  -9.095  -9.266
  552    H    ILE  90           H        ILE  90  -5.179  -6.910  -6.829
  553    HA   ILE  90           HA       ILE  90  -3.559  -4.442  -7.374
  554    HB   ILE  90           HB       ILE  90  -3.214  -4.162  -5.031
  555   HG12  ILE  90          1HG1      ILE  90  -4.986  -6.557  -4.494
  556   HG13  ILE  90          2HG1      ILE  90  -3.227  -6.470  -4.281
  557   HG21  ILE  90          1HG2      ILE  90  -5.254  -3.189  -6.162
  558   HG22  ILE  90          2HG2      ILE  90  -6.199  -4.573  -5.576
  559   HG23  ILE  90          3HG2      ILE  90  -5.502  -3.443  -4.431
  560   HD11  ILE  90          3HD1      ILE  90  -4.149  -6.127  -2.136
  561   HD12  ILE  90          1HD1      ILE  90  -3.596  -4.526  -2.696
  562   HD13  ILE  90          2HD1      ILE  90  -5.326  -4.946  -2.733
  563    H    ASP  91           H        ASP  91  -1.388  -4.414  -6.756
  564    HA   ASP  91           HA       ASP  91   0.006  -7.057  -7.004
  565    HB2  ASP  91           1HB      ASP  91  -0.196  -5.928  -9.161
  566    HB3  ASP  91           2HB      ASP  91   0.532  -4.472  -8.484
  567    HA   PRO  92           HA       PRO  92   1.933  -4.787  -3.527
  568    HB2  PRO  92           1HB      PRO  92   1.546  -6.620  -1.530
  569    HB3  PRO  92           2HB      PRO  92   0.347  -5.398  -2.025
  570    HG2  PRO  92           1HG      PRO  92   0.311  -8.323  -2.588
  571    HG3  PRO  92           2HG      PRO  92  -1.052  -7.146  -2.470
  572    HD2  PRO  92           1HD      PRO  92   0.184  -8.134  -4.842
  573    HD3  PRO  92           2HD      PRO  92  -1.052  -6.863  -4.671
  574    H    LYS  93           H        LYS  93   4.008  -4.928  -2.894
  575    HA   LYS  93           HA       LYS  93   5.655  -7.349  -3.239
  576    HB2  LYS  93           1HB      LYS  93   6.982  -6.411  -5.059
  577    HB3  LYS  93           2HB      LYS  93   5.287  -6.449  -5.529
  578    HG2  LYS  93           1HG      LYS  93   5.191  -3.976  -4.723
  579    HG3  LYS  93           2HG      LYS  93   6.948  -4.045  -4.656
  580    HD2  LYS  93           1HD      LYS  93   6.303  -3.029  -6.731
  581    HD3  LYS  93           2HD      LYS  93   6.975  -4.630  -7.102
  582    HE2  LYS  93           1HE      LYS  93   4.704  -5.556  -7.336
  583    HE3  LYS  93           2HE      LYS  93   3.986  -4.032  -6.811
  584    HZ1  LYS  93           3HZ      LYS  93   3.989  -4.383  -9.231
  585    HZ2  LYS  93           1HZ      LYS  93   4.742  -2.991  -8.818
  586    HZ3  LYS  93           2HZ      LYS  93   5.624  -4.309  -9.268
  587    H    VAL  94           H        VAL  94   8.024  -6.834  -2.818
  588    HA   VAL  94           HA       VAL  94   8.261  -5.536  -0.272
  589    HB   VAL  94           HB       VAL  94  10.473  -6.402  -2.179
  590   HG11  VAL  94          1HG1      VAL  94  11.402  -4.826  -0.540
  591   HG12  VAL  94          2HG1      VAL  94  10.590  -5.685   0.790
  592   HG13  VAL  94          3HG1      VAL  94  11.902  -6.463  -0.122
  593   HG21  VAL  94          3HG2      VAL  94  10.609  -8.393  -0.674
  594   HG22  VAL  94          1HG2      VAL  94   9.174  -7.815   0.199
  595   HG23  VAL  94          2HG2      VAL  94   9.060  -8.298  -1.507
  596    H    ALA  95           H        ALA  95   8.886  -3.540   0.351
  597    HA   ALA  95           HA       ALA  95   8.735  -1.402  -1.621
  598    HB1  ALA  95           1HB      ALA  95   7.601  -1.245   0.547
  599    HB2  ALA  95           2HB      ALA  95   9.155  -1.390   1.398
  600    HB3  ALA  95           3HB      ALA  95   8.815   0.038   0.403
  601    H    PHE  96           H        PHE  96  10.269  -0.073  -2.371
  602    HA   PHE  96           HA       PHE  96  13.085  -0.486  -2.080
  603    HB2  PHE  96           1HB      PHE  96  11.547   1.993  -2.954
  604    HB3  PHE  96           2HB      PHE  96  13.247   1.718  -3.238
  605    HD1  PHE  96           2HD      PHE  96  12.575  -1.427  -4.036
  606    HD2  PHE  96           1HD      PHE  96  11.351   2.504  -5.339
  607    HE1  PHE  96           2HE      PHE  96  12.070  -2.322  -6.281
  608    HE2  PHE  96           1HE      PHE  96  10.853   1.597  -7.590
  609    HZ   PHE  96           HZ       PHE  96  11.206  -0.821  -8.066
  610    HA   PRO  97           HA       PRO  97  14.358   1.527   1.609
  611    HB2  PRO  97           1HB      PRO  97  16.098   3.331  -0.090
  612    HB3  PRO  97           2HB      PRO  97  16.519   2.459   1.420
  613    HG2  PRO  97           1HG      PRO  97  17.249   1.415  -0.953
  614    HG3  PRO  97           2HG      PRO  97  16.506   0.343   0.282
  615    HD2  PRO  97           1HD      PRO  97  15.201   1.643  -2.118
  616    HD3  PRO  97           2HD      PRO  97  15.063  -0.040  -1.527
  617    H    ARG  98           H        ARG  98  14.622   3.545   2.840
  618    HA   ARG  98           HA       ARG  98  12.918   5.785   2.012
  619    HB2  ARG  98           1HB      ARG  98  11.355   5.479   3.694
  620    HB3  ARG  98           2HB      ARG  98  11.531   3.883   2.998
  621    HG2  ARG  98           1HG      ARG  98  12.662   4.885   5.645
  622    HG3  ARG  98           2HG      ARG  98  11.276   3.831   5.431
  623    HD2  ARG  98           1HD      ARG  98  12.664   2.023   4.593
  624    HD3  ARG  98           2HD      ARG  98  14.104   3.038   4.612
  625    HE   ARG  98           HE       ARG  98  12.833   1.746   6.891
  626   HH11  ARG  98          1HH1      ARG  98  15.079   4.361   5.996
  627   HH12  ARG  98          2HH1      ARG  98  15.862   4.312   7.550
  628   HH21  ARG  98          1HH2      ARG  98  13.886   1.779   8.861
  629   HH22  ARG  98          2HH2      ARG  98  15.188   2.894   9.144
  630    H    ARG  99           H        ARG  99  13.282   7.691   3.030
  631    HA   ARG  99           HA       ARG  99  15.468   7.835   5.083
  632    HB2  ARG  99           1HB      ARG  99  14.727   9.837   2.910
  633    HB3  ARG  99           2HB      ARG  99  15.997  10.040   4.107
  634    HG2  ARG  99           1HG      ARG  99  15.917   7.949   1.887
  635    HG3  ARG  99           2HG      ARG  99  16.912   9.397   1.921
  636    HD2  ARG  99           1HD      ARG  99  17.146   7.052   3.854
  637    HD3  ARG  99           2HD      ARG  99  18.188   7.355   2.461
  638    HE   ARG  99           HE       ARG  99  18.397   9.695   3.867
  639   HH11  ARG  99          1HH1      ARG  99  18.997   6.325   4.761
  640   HH12  ARG  99          2HH1      ARG  99  20.209   6.757   5.929
  641   HH21  ARG  99          1HH2      ARG  99  19.968  10.182   5.386
  642   HH22  ARG  99          2HH2      ARG  99  20.752   8.910   6.271
  643    H    ALA 100           H        ALA 100  14.979   8.677   6.952
  644    HA   ALA 100           HA       ALA 100  13.050  10.773   7.467
  645    HB1  ALA 100           1HB      ALA 100  11.481   8.869   7.170
  646    HB2  ALA 100           2HB      ALA 100  12.399   7.916   8.356
  647    HB3  ALA 100           3HB      ALA 100  11.526   9.377   8.863
  648    H    GLN 101           H        GLN 101  12.934  11.250   9.843
  649    HA   GLN 101           HA       GLN 101  15.105  10.167  11.525
  650    HB2  GLN 101           1HB      GLN 101  14.729  13.109  10.786
  651    HB3  GLN 101           2HB      GLN 101  15.702  12.560  12.137
  652    HG2  GLN 101           1HG      GLN 101  16.241  11.942   9.202
  653    HG3  GLN 101           2HG      GLN 101  17.071  13.140  10.173
  654   HE21  GLN 101          2HE2      GLN 101  18.547  11.155   8.845
  655   HE22  GLN 101          1HE2      GLN 101  19.222  10.079  10.062
  656    HA   PRO 102           HA       PRO 102  11.796  10.742  14.498
  657    HB2  PRO 102           1HB      PRO 102  13.110  10.452  16.866
  658    HB3  PRO 102           2HB      PRO 102  12.872   9.092  15.726
  659    HG2  PRO 102           1HG      PRO 102  15.328  10.847  16.044
  660    HG3  PRO 102           2HG      PRO 102  15.248   9.058  15.957
  661    HD2  PRO 102           1HD      PRO 102  15.814  10.623  13.782
  662    HD3  PRO 102           2HD      PRO 102  14.896   9.093  13.635
  663    H    LYS 103           H        LYS 103  10.845  12.411  15.559
  664    HA   LYS 103           HA       LYS 103  12.318  14.806  16.475
  665    HB2  LYS 103           1HB      LYS 103  10.164  14.844  14.315
  666    HB3  LYS 103           2HB      LYS 103  10.731  16.269  15.171
  667    HG2  LYS 103           1HG      LYS 103  12.456  14.533  13.352
  668    HG3  LYS 103           2HG      LYS 103  11.672  16.043  12.905
  669    HD2  LYS 103           1HD      LYS 103  13.011  17.289  14.570
  670    HD3  LYS 103           2HD      LYS 103  13.761  15.789  15.112
  671    HE2  LYS 103           1HE      LYS 103  15.331  16.837  13.683
  672    HE3  LYS 103           2HE      LYS 103  14.697  15.429  12.829
  673    HZ1  LYS 103           3HZ      LYS 103  14.812  17.402  11.397
  674    HZ2  LYS 103           1HZ      LYS 103  13.257  16.941  11.559
  675    HZ3  LYS 103           2HZ      LYS 103  13.819  18.238  12.383
  676    H5'    G 104           H5'        G 104  -5.546  -0.641 -13.062
  677   H5''    G 104          H5"         G 104  -4.150  -0.353 -12.024
  678    H4'    G 104           H4'        G 104  -4.348   1.194 -13.982
  679    H3'    G 104           H3'        G 104  -3.457   1.821 -11.439
  680    H2'    G 104           H2'        G 104  -5.336   2.819 -10.580
  681   HO2'    G 104          HO2         G 104  -3.894   4.734 -11.997
  682    H1'    G 104           H1'        G 104  -6.167   4.075 -13.189
  683    H8     G 104           8H         G 104  -7.325   2.309  -9.975
  684    H1     G 104           1H         G 104 -12.029   4.885 -13.536
  685    H21    G 104           1H2        G 104 -11.162   5.531 -15.516
  686    H22    G 104           2H2        G 104  -9.451   5.290 -15.831
  687   HO5'    G 104          H5T         G 104  -5.841  -0.581 -10.618
  688    H5'    U 105           H5'        U 105  -1.736   2.868 -10.435
  689   H5''    U 105          H5"         U 105  -0.674   3.969 -11.311
  690    H4'    U 105           H4'        U 105   0.346   3.187  -9.250
  691    H3'    U 105           H3'        U 105   1.639   3.328 -11.658
  692    H2'    U 105           H2'        U 105   1.363   1.051 -12.216
  693   HO2'    U 105          HO2         U 105   3.833   1.674 -11.481
  694    H1'    U 105           H1'        U 105   2.054   0.290  -9.377
  695    H3     U 105           3H         U 105   1.780  -4.094 -10.564
  696    H5     U 105           5H         U 105  -1.533  -2.409 -12.490
  697    H6     U 105           6H         U 105  -0.869  -0.221 -11.638
  698    H5'    A 106           H5'        A 106   3.696   4.112  -7.323
  699   H5''    A 106          H5"         A 106   3.656   5.631  -8.182
  700    H4'    A 106           H4'        A 106   4.920   6.135  -6.334
  701    H3'    A 106           H3'        A 106   6.226   6.365  -8.740
  702    H2'    A 106           H2'        A 106   7.279   4.266  -8.687
  703   HO2'    A 106          HO2         A 106   8.964   6.211  -7.566
  704    H1'    A 106           H1'        A 106   7.958   4.555  -5.760
  705    H8     A 106           8H         A 106   6.889   2.062  -8.552
  706    H61    A 106           1H6        A 106   8.896  -2.131  -4.309
  707    H62    A 106           2H6        A 106   8.367  -1.997  -5.986
  708    H2     A 106           2H         A 106   9.038   1.751  -2.492
  709    H5'    G 107           H5'        G 107   7.718   8.606  -4.356
  710   H5''    G 107          H5"         G 107   7.135   6.956  -4.123
  711    H4'    G 107           H4'        G 107   5.508   9.117  -2.832
  712    H3'    G 107           H3'        G 107   8.335   8.443  -1.970
  713    H2'    G 107           H2'        G 107   7.592   8.762   0.262
  714   HO2'    G 107          HO2         G 107   6.354  10.786  -0.474
  715    H1'    G 107           H1'        G 107   4.946   7.850  -0.202
  716    H8     G 107           8H         G 107   5.017   6.480   1.865
  717    H1     G 107           1H         G 107  10.603   3.643   0.371
  718    H21    G 107           1H2        G 107  11.499   4.686  -1.341
  719    H22    G 107           2H2        G 107  10.577   5.865  -2.267
  720    H5'    U 108           H5'        U 108  10.533  12.279   0.445
  721   H5''    U 108          H5"         U 108  11.487  11.416  -0.761
  722    H4'    U 108           H4'        U 108  12.369  10.849   1.372
  723    H3'    U 108           H3'        U 108  11.490   8.846  -0.377
  724   HO3'    U 108          H3T         U 108  13.515   8.699   0.565
  725    H2'    U 108           H2'        U 108   9.499   8.437   0.808
  726   HO2'    U 108          HO2         U 108  11.501   6.729   1.331
  727    H1'    U 108           H1'        U 108  11.067   8.769   3.381
  728    H3     U 108           3H         U 108   7.428   7.419   5.756
  729    H5     U 108           5H         U 108   5.778  10.005   2.908
  730    H6     U 108           6H         U 108   8.004  10.305   1.943
  Start of MODEL   18
    1    H    CYS  20           1H       CYS  20  10.242  -5.404   5.917
    2    HA   CYS  20           HA       CYS  20   8.293  -6.649   6.484
    3    HB2  CYS  20           1HB      CYS  20   6.927  -6.009   8.461
    4    HB3  CYS  20           2HB      CYS  20   8.512  -6.632   8.908
    5    HG   CYS  20           HG       CYS  20   7.362  -4.453  10.260
    6    H    LYS  21           H        LYS  21   9.014  -4.038   4.885
    7    HA   LYS  21           HA       LYS  21   6.239  -2.940   4.802
    8    HB2  LYS  21           1HB      LYS  21   7.945  -1.379   5.674
    9    HB3  LYS  21           2HB      LYS  21   8.844  -1.508   4.155
   10    HG2  LYS  21           1HG      LYS  21   7.018  -0.504   2.912
   11    HG3  LYS  21           2HG      LYS  21   5.918  -0.663   4.279
   12    HD2  LYS  21           1HD      LYS  21   7.252   1.002   5.549
   13    HD3  LYS  21           2HD      LYS  21   8.345   1.171   4.159
   14    HE2  LYS  21           1HE      LYS  21   6.541   1.933   2.734
   15    HE3  LYS  21           2HE      LYS  21   5.315   1.547   3.959
   16    HZ1  LYS  21           3HZ      LYS  21   6.040   3.942   3.708
   17    HZ2  LYS  21           1HZ      LYS  21   5.953   3.368   5.242
   18    HZ3  LYS  21           2HZ      LYS  21   7.419   3.537   4.464
   19    H    MET  22           H        MET  22   5.250  -2.513   2.914
   20    HA   MET  22           HA       MET  22   6.381  -3.575   0.368
   21    HB2  MET  22           1HB      MET  22   3.655  -4.216   1.574
   22    HB3  MET  22           2HB      MET  22   4.200  -4.674  -0.041
   23    HG2  MET  22           1HG      MET  22   6.125  -5.922   1.051
   24    HG3  MET  22           2HG      MET  22   5.388  -5.556   2.607
   25    HE1  MET  22           3HE      MET  22   4.088  -8.591  -0.560
   26    HE2  MET  22           1HE      MET  22   4.074  -6.864  -0.976
   27    HE3  MET  22           2HE      MET  22   5.586  -7.647  -0.459
   28    H    PHE  23           H        PHE  23   5.781  -2.619  -1.413
   29    HA   PHE  23           HA       PHE  23   4.145  -0.137  -1.468
   30    HB2  PHE  23           1HB      PHE  23   6.225  -0.017  -2.697
   31    HB3  PHE  23           2HB      PHE  23   5.980  -1.602  -3.416
   32    HD1  PHE  23           1HD      PHE  23   4.143  -1.919  -5.164
   33    HD2  PHE  23           2HD      PHE  23   5.328   1.958  -3.724
   34    HE1  PHE  23           1HE      PHE  23   3.071  -0.866  -7.126
   35    HE2  PHE  23           2HE      PHE  23   4.263   2.990  -5.684
   36    HZ   PHE  23           HZ       PHE  23   3.141   1.607  -7.407
   37    H    ILE  24           H        ILE  24   2.127  -0.145  -2.463
   38    HA   ILE  24           HA       ILE  24   1.008  -2.811  -3.304
   39    HB   ILE  24           HB       ILE  24  -0.592  -0.643  -1.926
   40   HG12  ILE  24          1HG1      ILE  24   1.066  -1.186  -0.262
   41   HG13  ILE  24          2HG1      ILE  24  -0.526  -1.760   0.165
   42   HG21  ILE  24          1HG2      ILE  24  -1.790  -2.341  -3.259
   43   HG22  ILE  24          2HG2      ILE  24  -1.051  -3.633  -2.304
   44   HG23  ILE  24          3HG2      ILE  24  -2.159  -2.478  -1.533
   45   HD11  ILE  24          3HD1      ILE  24   1.291  -3.337   0.786
   46   HD12  ILE  24          1HD1      ILE  24   0.108  -4.071  -0.300
   47   HD13  ILE  24          2HD1      ILE  24   1.687  -3.556  -0.922
   48    H    GLY  25           H        GLY  25   0.983  -2.608  -5.517
   49    HA2  GLY  25           1HA      GLY  25   0.031  -0.091  -6.798
   50    HA3  GLY  25           2HA      GLY  25   0.775  -1.492  -7.591
   51    H    GLY  26           H        GLY  26  -1.401  -0.352  -8.734
   52    HA2  GLY  26           1HA      GLY  26  -3.197  -1.172  -9.927
   53    HA3  GLY  26           2HA      GLY  26  -3.012  -2.727  -9.092
   54    H    LEU  27           H        LEU  27  -3.523   0.096  -7.119
   55    HA   LEU  27           HA       LEU  27  -5.964  -0.982  -5.964
   56    HB2  LEU  27           1HB      LEU  27  -4.694   1.771  -5.647
   57    HB3  LEU  27           2HB      LEU  27  -5.942   1.091  -4.631
   58    HG   LEU  27           HG       LEU  27  -3.072   0.080  -4.808
   59   HD11  LEU  27          1HD1      LEU  27  -3.449   2.262  -3.635
   60   HD12  LEU  27          2HD1      LEU  27  -4.624   1.480  -2.581
   61   HD13  LEU  27          3HD1      LEU  27  -2.916   0.978  -2.533
   62   HD21  LEU  27          3HD2      LEU  27  -3.840  -1.283  -2.770
   63   HD22  LEU  27          1HD2      LEU  27  -5.491  -1.027  -3.365
   64   HD23  LEU  27          2HD2      LEU  27  -4.282  -1.846  -4.382
   65    H    SER  28           H        SER  28  -7.902   0.463  -5.635
   66    HA   SER  28           HA       SER  28  -8.926   1.523  -8.221
   67    HB2  SER  28           1HB      SER  28 -10.370   0.042  -6.883
   68    HB3  SER  28           2HB      SER  28 -10.210   1.123  -5.494
   69    HG   SER  28           HG       SER  28 -12.133   1.463  -6.613
   70    H    TRP  29           H        TRP  29  -9.562   3.731  -8.449
   71    HA   TRP  29           HA       TRP  29  -8.256   5.764  -6.884
   72    HB2  TRP  29           1HB      TRP  29 -10.500   5.783  -8.894
   73    HB3  TRP  29           2HB      TRP  29  -9.934   7.248  -8.094
   74    HD1  TRP  29           HD       TRP  29  -6.938   5.252  -8.730
   75    HE1  TRP  29           1HE      TRP  29  -5.766   5.898 -10.884
   76    HE3  TRP  29           3HE      TRP  29 -10.665   8.052 -10.858
   77    HZ2  TRP  29           2HZ      TRP  29  -6.296   7.557 -13.199
   78    HZ3  TRP  29           3HZ      TRP  29 -10.312   9.120 -13.069
   79    HH2  TRP  29           HH       TRP  29  -8.137   8.881 -14.250
   80    H    GLN  30           H        GLN  30 -10.935   3.856  -6.121
   81    HA   GLN  30           HA       GLN  30 -11.992   5.734  -4.064
   82    HB2  GLN  30           1HB      GLN  30 -13.565   4.736  -5.598
   83    HB3  GLN  30           2HB      GLN  30 -12.945   3.125  -5.279
   84    HG2  GLN  30           1HG      GLN  30 -13.889   3.128  -3.039
   85    HG3  GLN  30           2HG      GLN  30 -14.369   4.830  -3.206
   86   HE21  GLN  30          2HE2      GLN  30 -14.804   1.629  -4.908
   87   HE22  GLN  30          1HE2      GLN  30 -16.495   1.944  -5.301
   88    H    THR  31           H        THR  31  -9.542   3.330  -4.224
   89    HA   THR  31           HA       THR  31  -9.950   2.088  -1.639
   90    HB   THR  31           HB       THR  31  -7.389   2.414  -3.262
   91    HG1  THR  31           1HG      THR  31  -9.275   0.287  -3.124
   92   HG21  THR  31          3HG2      THR  31  -6.761   0.286  -2.035
   93   HG22  THR  31          1HG2      THR  31  -6.805   1.724  -1.016
   94   HG23  THR  31          2HG2      THR  31  -8.145   0.554  -0.960
   95    H    THR  32           H        THR  32  -9.159   2.612   0.332
   96    HA   THR  32           HA       THR  32  -7.624   5.147   0.719
   97    HB   THR  32           HB       THR  32  -8.832   5.513   2.797
   98    HG1  THR  32           1HG      THR  32 -10.677   4.114   3.191
   99   HG21  THR  32          3HG2      THR  32 -11.018   6.116   1.978
  100   HG22  THR  32          1HG2      THR  32  -9.846   6.417   0.685
  101   HG23  THR  32          2HG2      THR  32 -10.896   4.985   0.617
  102    H    GLN  33           H        GLN  33  -6.408   5.159   2.799
  103    HA   GLN  33           HA       GLN  33  -4.826   2.767   3.118
  104    HB2  GLN  33           1HB      GLN  33  -3.789   4.000   5.018
  105    HB3  GLN  33           2HB      GLN  33  -3.779   4.868   3.484
  106    HG2  GLN  33           1HG      GLN  33  -5.586   6.313   4.187
  107    HG3  GLN  33           2HG      GLN  33  -5.824   5.386   5.677
  108   HE21  GLN  33          2HE2      GLN  33  -3.767   7.812   4.068
  109   HE22  GLN  33          1HE2      GLN  33  -2.843   8.187   5.513
  110    H    GLU  34           H        GLU  34  -7.748   3.835   4.744
  111    HA   GLU  34           HA       GLU  34  -7.590   1.851   6.885
  112    HB2  GLU  34           1HB      GLU  34  -9.947   3.391   5.719
  113    HB3  GLU  34           2HB      GLU  34 -10.025   2.318   7.124
  114    HG2  GLU  34           1HG      GLU  34  -8.342   3.736   8.296
  115    HG3  GLU  34           2HG      GLU  34  -8.326   4.845   6.921
  116    H    GLY  35           H        GLY  35  -8.912   1.972   3.557
  117    HA2  GLY  35           1HA      GLY  35 -10.113  -0.650   3.557
  118    HA3  GLY  35           2HA      GLY  35  -9.629   0.307   2.137
  119    H    LEU  36           H        LEU  36  -6.800   0.522   2.777
  120    HA   LEU  36           HA       LEU  36  -5.770  -2.056   2.040
  121    HB2  LEU  36           1HB      LEU  36  -4.254   0.195   3.456
  122    HB3  LEU  36           2HB      LEU  36  -3.555  -1.201   2.667
  123    HG   LEU  36           HG       LEU  36  -4.899   1.169   1.359
  124   HD11  LEU  36          1HD1      LEU  36  -2.494   1.307   2.011
  125   HD12  LEU  36          2HD1      LEU  36  -2.159  -0.100   0.980
  126   HD13  LEU  36          3HD1      LEU  36  -2.743   1.407   0.254
  127   HD21  LEU  36          3HD2      LEU  36  -4.486   0.017  -0.817
  128   HD22  LEU  36          1HD2      LEU  36  -4.140  -1.484   0.066
  129   HD23  LEU  36          2HD2      LEU  36  -5.755  -0.733   0.146
  130    H    ARG  37           H        ARG  37  -5.763  -0.474   5.296
  131    HA   ARG  37           HA       ARG  37  -4.749  -2.718   6.674
  132    HB2  ARG  37           1HB      ARG  37  -5.016  -0.464   7.636
  133    HB3  ARG  37           2HB      ARG  37  -6.776  -0.643   7.620
  134    HG2  ARG  37           1HG      ARG  37  -6.617  -2.538   9.219
  135    HG3  ARG  37           2HG      ARG  37  -4.850  -2.411   9.190
  136    HD2  ARG  37           1HD      ARG  37  -5.122  -0.009   9.963
  137    HD3  ARG  37           2HD      ARG  37  -6.845  -0.326  10.152
  138    HE   ARG  37           HE       ARG  37  -4.654  -1.202  11.882
  139   HH11  ARG  37          1HH1      ARG  37  -8.033  -1.893  11.070
  140   HH12  ARG  37          2HH1      ARG  37  -8.319  -2.699  12.582
  141   HH21  ARG  37          1HH2      ARG  37  -5.100  -2.248  13.806
  142   HH22  ARG  37          2HH2      ARG  37  -6.682  -2.897  14.102
  143    H    GLU  38           H        GLU  38  -8.122  -2.029   5.770
  144    HA   GLU  38           HA       GLU  38  -9.354  -4.162   7.079
  145    HB2  GLU  38           1HB      GLU  38 -10.250  -2.111   5.534
  146    HB3  GLU  38           2HB      GLU  38 -10.394  -3.414   4.354
  147    HG2  GLU  38           1HG      GLU  38 -11.690  -4.719   6.073
  148    HG3  GLU  38           2HG      GLU  38 -11.533  -3.335   7.168
  149    H    TYR  39           H        TYR  39  -7.662  -4.190   3.940
  150    HA   TYR  39           HA       TYR  39  -8.336  -7.010   3.400
  151    HB2  TYR  39           1HB      TYR  39  -8.231  -5.285   1.630
  152    HB3  TYR  39           2HB      TYR  39  -6.517  -5.047   1.950
  153    HD1  TYR  39           1HD      TYR  39  -9.048  -7.631   0.970
  154    HD2  TYR  39           2HD      TYR  39  -4.897  -6.466   0.890
  155    HE1  TYR  39           1HE      TYR  39  -8.533  -9.590  -0.461
  156    HE2  TYR  39           2HE      TYR  39  -4.375  -8.409  -0.556
  157    HH   TYR  39           HH       TYR  39  -6.909 -10.798  -1.506
  158    H    PHE  40           H        PHE  40  -5.469  -5.121   4.381
  159    HA   PHE  40           HA       PHE  40  -3.755  -7.440   4.251
  160    HB2  PHE  40           1HB      PHE  40  -3.315  -4.538   4.892
  161    HB3  PHE  40           2HB      PHE  40  -2.057  -5.696   5.192
  162    HD1  PHE  40           1HD      PHE  40  -1.655  -7.468   3.149
  163    HD2  PHE  40           2HD      PHE  40  -3.448  -3.579   2.693
  164    HE1  PHE  40           1HE      PHE  40  -1.194  -7.538   0.720
  165    HE2  PHE  40           2HE      PHE  40  -3.006  -3.661   0.265
  166    HZ   PHE  40           HZ       PHE  40  -1.878  -5.641  -0.734
  167    H    GLY  41           H        GLY  41  -5.664  -6.125   6.817
  168    HA2  GLY  41           1HA      GLY  41  -4.351  -7.282   9.059
  169    HA3  GLY  41           2HA      GLY  41  -6.087  -6.954   8.914
  170    H    GLN  42           H        GLN  42  -5.801  -8.929   6.421
  171    HA   GLN  42           HA       GLN  42  -6.583 -11.386   7.779
  172    HB2  GLN  42           1HB      GLN  42  -5.827 -10.882   4.865
  173    HB3  GLN  42           2HB      GLN  42  -6.662 -12.303   5.496
  174    HG2  GLN  42           1HG      GLN  42  -8.587 -10.874   6.172
  175    HG3  GLN  42           2HG      GLN  42  -7.760  -9.461   5.513
  176   HE21  GLN  42          2HE2      GLN  42  -7.199  -9.526   3.136
  177   HE22  GLN  42          1HE2      GLN  42  -8.300 -10.396   2.070
  178    H    PHE  43           H        PHE  43  -3.551 -10.091   6.566
  179    HA   PHE  43           HA       PHE  43  -2.213 -12.742   6.654
  180    HB2  PHE  43           1HB      PHE  43  -1.210 -10.078   5.596
  181    HB3  PHE  43           2HB      PHE  43  -0.470 -11.644   5.359
  182    HD1  PHE  43           2HD      PHE  43  -1.544 -13.330   3.817
  183    HD2  PHE  43           1HD      PHE  43  -3.150  -9.384   4.306
  184    HE1  PHE  43           2HE      PHE  43  -2.870 -13.621   1.746
  185    HE2  PHE  43           1HE      PHE  43  -4.485  -9.654   2.230
  186    HZ   PHE  43           HZ       PHE  43  -4.351 -11.787   0.948
  187    H    GLY  44           H        GLY  44  -2.402  -9.794   8.459
  188    HA2  GLY  44           1HA      GLY  44  -1.223 -10.640  10.809
  189    HA3  GLY  44           2HA      GLY  44   0.116  -9.959   9.895
  190    H    GLU  45           H        GLU  45  -0.618  -8.803  12.289
  191    HA   GLU  45           HA       GLU  45  -2.421  -6.559  11.955
  192    HB2  GLU  45           1HB      GLU  45  -1.885  -7.556  14.142
  193    HB3  GLU  45           2HB      GLU  45  -0.206  -7.013  13.998
  194    HG2  GLU  45           1HG      GLU  45  -0.893  -4.678  14.073
  195    HG3  GLU  45           2HG      GLU  45  -2.595  -5.122  13.909
  196    H    VAL  46           H        VAL  46  -2.018  -4.586  11.026
  197    HA   VAL  46           HA       VAL  46   0.595  -4.165   9.796
  198    HB   VAL  46           HB       VAL  46  -0.302  -2.449   8.505
  199   HG11  VAL  46          1HG1      VAL  46  -0.918  -4.765   7.829
  200   HG12  VAL  46          2HG1      VAL  46  -2.482  -4.561   8.656
  201   HG13  VAL  46          3HG1      VAL  46  -2.071  -3.537   7.274
  202   HG21  VAL  46          3HG2      VAL  46  -2.684  -1.701   8.661
  203   HG22  VAL  46          1HG2      VAL  46  -2.750  -2.437  10.276
  204   HG23  VAL  46          2HG2      VAL  46  -1.619  -1.096   9.923
  205    H    LYS  47           H        LYS  47   2.053  -2.723  10.269
  206    HA   LYS  47           HA       LYS  47   1.994  -1.154  12.774
  207    HB2  LYS  47           1HB      LYS  47   3.893  -2.614  12.061
  208    HB3  LYS  47           2HB      LYS  47   4.141  -1.589  10.648
  209    HG2  LYS  47           1HG      LYS  47   4.628   0.343  12.161
  210    HG3  LYS  47           2HG      LYS  47   4.400  -0.713  13.560
  211    HD2  LYS  47           1HD      LYS  47   6.534  -0.999  11.396
  212    HD3  LYS  47           2HD      LYS  47   6.775  -0.359  13.027
  213    HE2  LYS  47           1HE      LYS  47   6.051  -2.583  13.963
  214    HE3  LYS  47           2HE      LYS  47   5.959  -3.209  12.308
  215    HZ1  LYS  47           3HZ      LYS  47   8.083  -3.748  13.326
  216    HZ2  LYS  47           1HZ      LYS  47   8.336  -2.733  12.068
  217    HZ3  LYS  47           2HZ      LYS  47   8.419  -2.174  13.605
  218    H    GLU  48           H        GLU  48   1.635  -0.669   9.323
  219    HA   GLU  48           HA       GLU  48   1.003   2.179   9.588
  220    HB2  GLU  48           1HB      GLU  48   3.568   1.992   9.512
  221    HB3  GLU  48           2HB      GLU  48   3.377   1.314   7.897
  222    HG2  GLU  48           1HG      GLU  48   2.282   3.435   7.163
  223    HG3  GLU  48           2HG      GLU  48   2.578   4.107   8.774
  224    H    CYS  49           H        CYS  49  -0.183   2.894   7.792
  225    HA   CYS  49           HA       CYS  49  -0.296   1.298   5.315
  226    HB2  CYS  49           1HB      CYS  49  -2.674   1.862   7.109
  227    HB3  CYS  49           2HB      CYS  49  -2.873   1.691   5.354
  228    HG   CYS  49           HG       CYS  49  -1.031  -0.441   6.997
  229    H    LEU  50           H        LEU  50  -0.515   2.640   3.511
  230    HA   LEU  50           HA       LEU  50  -1.151   5.540   3.830
  231    HB2  LEU  50           1HB      LEU  50   1.334   4.342   2.543
  232    HB3  LEU  50           2HB      LEU  50   0.832   6.001   2.308
  233    HG   LEU  50           HG       LEU  50   1.742   4.828   4.957
  234   HD11  LEU  50          1HD1      LEU  50   3.542   5.014   3.265
  235   HD12  LEU  50          2HD1      LEU  50   3.124   6.712   2.960
  236   HD13  LEU  50          3HD1      LEU  50   3.761   6.211   4.544
  237   HD21  LEU  50          3HD2      LEU  50   1.780   7.190   5.712
  238   HD22  LEU  50          1HD2      LEU  50   1.086   7.708   4.159
  239   HD23  LEU  50          2HD2      LEU  50   0.137   6.705   5.279
  240    H    VAL  51           H        VAL  51  -1.761   6.559   1.902
  241    HA   VAL  51           HA       VAL  51  -1.831   5.059  -0.641
  242    HB   VAL  51           HB       VAL  51  -4.298   6.343   0.606
  243   HG11  VAL  51          1HG1      VAL  51  -4.197   7.130  -1.712
  244   HG12  VAL  51          2HG1      VAL  51  -3.877   5.476  -2.286
  245   HG13  VAL  51          3HG1      VAL  51  -5.446   5.899  -1.562
  246   HG21  VAL  51          3HG2      VAL  51  -5.336   4.141   0.031
  247   HG22  VAL  51          1HG2      VAL  51  -3.751   3.550  -0.496
  248   HG23  VAL  51          2HG2      VAL  51  -4.026   3.997   1.206
  249    H    MET  52           H        MET  52  -1.157   6.328  -2.251
  250    HA   MET  52           HA       MET  52  -0.204   9.031  -1.495
  251    HB2  MET  52           1HB      MET  52   0.490   7.101  -3.723
  252    HB3  MET  52           2HB      MET  52   1.227   8.704  -3.534
  253    HG2  MET  52           1HG      MET  52   1.336   6.566  -1.375
  254    HG3  MET  52           2HG      MET  52   2.570   6.812  -2.586
  255    HE1  MET  52           3HE      MET  52   2.192   8.937   1.329
  256    HE2  MET  52           1HE      MET  52   0.736   8.379   0.476
  257    HE3  MET  52           2HE      MET  52   2.036   7.225   0.868
  258    H    ARG  53           H        ARG  53  -2.766   9.311  -1.692
  259    HA   ARG  53           HA       ARG  53  -3.773   9.734  -4.327
  260    HB2  ARG  53           1HB      ARG  53  -5.795  10.548  -3.281
  261    HB3  ARG  53           2HB      ARG  53  -5.228   9.096  -2.462
  262    HG2  ARG  53           1HG      ARG  53  -4.294  10.503  -0.623
  263    HG3  ARG  53           2HG      ARG  53  -4.918  11.947  -1.448
  264    HD2  ARG  53           1HD      ARG  53  -7.220  10.962  -1.346
  265    HD3  ARG  53           2HD      ARG  53  -6.564   9.602  -0.413
  266    HE   ARG  53           HE       ARG  53  -5.757  11.954   0.905
  267   HH11  ARG  53          1HH1      ARG  53  -8.838  10.342   0.234
  268   HH12  ARG  53          2HH1      ARG  53  -9.599  11.016   1.645
  269   HH21  ARG  53          1HH2      ARG  53  -6.802  12.785   2.706
  270   HH22  ARG  53          2HH2      ARG  53  -8.459  12.376   3.023
  271    H    ASP  54           H        ASP  54  -4.442  11.561  -5.389
  272    HA   ASP  54           HA       ASP  54  -2.810  13.974  -5.147
  273    HB2  ASP  54           1HB      ASP  54  -3.427  13.088  -7.332
  274    HB3  ASP  54           2HB      ASP  54  -5.140  13.175  -6.928
  275    HA   PRO  55           HA       PRO  55  -5.832  15.654  -2.314
  276    HB2  PRO  55           1HB      PRO  55  -4.747  18.087  -1.726
  277    HB3  PRO  55           2HB      PRO  55  -3.988  16.542  -1.240
  278    HG2  PRO  55           1HG      PRO  55  -3.334  18.257  -3.656
  279    HG3  PRO  55           2HG      PRO  55  -2.201  17.558  -2.458
  280    HD2  PRO  55           1HD      PRO  55  -2.731  16.358  -4.866
  281    HD3  PRO  55           2HD      PRO  55  -2.398  15.411  -3.383
  282    H    LEU  56           H        LEU  56  -5.482  17.005  -5.503
  283    HA   LEU  56           HA       LEU  56  -7.630  19.020  -5.097
  284    HB2  LEU  56           1HB      LEU  56  -5.757  18.272  -7.380
  285    HB3  LEU  56           2HB      LEU  56  -7.180  19.234  -7.665
  286    HG   LEU  56           HG       LEU  56  -5.213  20.616  -7.508
  287   HD11  LEU  56          1HD1      LEU  56  -7.407  21.542  -6.797
  288   HD12  LEU  56          2HD1      LEU  56  -7.015  21.146  -5.108
  289   HD13  LEU  56          3HD1      LEU  56  -6.033  22.324  -5.997
  290   HD21  LEU  56          3HD2      LEU  56  -3.925  20.971  -5.503
  291   HD22  LEU  56          1HD2      LEU  56  -4.930  19.840  -4.583
  292   HD23  LEU  56          2HD2      LEU  56  -3.889  19.243  -5.901
  293    H    THR  57           H        THR  57  -7.076  15.887  -6.624
  294    HA   THR  57           HA       THR  57  -9.927  15.792  -7.560
  295    HB   THR  57           HB       THR  57  -9.149  14.250  -9.269
  296    HG1  THR  57           1HG      THR  57  -6.571  14.778  -8.180
  297   HG21  THR  57          3HG2      THR  57  -7.888  15.759 -10.659
  298   HG22  THR  57          1HG2      THR  57  -9.076  16.698  -9.739
  299   HG23  THR  57          2HG2      THR  57  -7.364  16.716  -9.257
  300    H    LYS  58           H        LYS  58  -7.875  14.405  -5.276
  301    HA   LYS  58           HA       LYS  58  -8.064  12.796  -3.745
  302    HB2  LYS  58           1HB      LYS  58 -10.988  12.980  -4.530
  303    HB3  LYS  58           2HB      LYS  58 -10.422  11.850  -3.319
  304    HG2  LYS  58           1HG      LYS  58 -11.241  13.833  -2.261
  305    HG3  LYS  58           2HG      LYS  58  -9.524  13.630  -1.931
  306    HD2  LYS  58           1HD      LYS  58  -8.946  15.406  -3.490
  307    HD3  LYS  58           2HD      LYS  58 -10.623  15.556  -4.035
  308    HE2  LYS  58           1HE      LYS  58  -9.645  16.056  -1.180
  309    HE3  LYS  58           2HE      LYS  58  -9.792  17.315  -2.406
  310    HZ1  LYS  58           3HZ      LYS  58 -11.754  17.252  -1.012
  311    HZ2  LYS  58           1HZ      LYS  58 -12.173  16.842  -2.535
  312    HZ3  LYS  58           2HZ      LYS  58 -12.051  15.689  -1.378
  313    H    ARG  59           H        ARG  59  -8.057  12.043  -6.886
  314    HA   ARG  59           HA       ARG  59  -8.399   9.205  -7.050
  315    HB2  ARG  59           1HB      ARG  59  -6.434  11.068  -8.448
  316    HB3  ARG  59           2HB      ARG  59  -6.729   9.386  -8.902
  317    HG2  ARG  59           1HG      ARG  59  -9.094   9.879  -9.383
  318    HG3  ARG  59           2HG      ARG  59  -8.872  11.569  -8.920
  319    HD2  ARG  59           1HD      ARG  59  -7.350  10.196 -11.167
  320    HD3  ARG  59           2HD      ARG  59  -8.811  11.176 -11.393
  321    HE   ARG  59           HE       ARG  59  -7.174  12.852  -9.968
  322   HH11  ARG  59          1HH1      ARG  59  -6.704  11.182 -13.053
  323   HH12  ARG  59          2HH1      ARG  59  -5.596  12.392 -13.631
  324   HH21  ARG  59          1HH2      ARG  59  -5.769  14.332 -10.738
  325   HH22  ARG  59          2HH2      ARG  59  -5.071  14.175 -12.327
  326    H    SER  60           H        SER  60  -7.277   7.569  -6.214
  327    HA   SER  60           HA       SER  60  -5.174   7.910  -4.283
  328    HB2  SER  60           1HB      SER  60  -5.275   5.500  -4.135
  329    HB3  SER  60           2HB      SER  60  -6.929   6.114  -4.336
  330    HG   SER  60           HG       SER  60  -6.692   4.442  -5.771
  331    H    ARG  61           H        ARG  61  -4.890   8.064  -7.609
  332    HA   ARG  61           HA       ARG  61  -3.317   7.713  -9.194
  333    HB2  ARG  61           1HB      ARG  61  -1.390   7.729  -6.831
  334    HB3  ARG  61           2HB      ARG  61  -0.870   7.442  -8.480
  335    HG2  ARG  61           1HG      ARG  61  -1.835   9.615  -9.195
  336    HG3  ARG  61           2HG      ARG  61  -2.303   9.943  -7.521
  337    HD2  ARG  61           1HD      ARG  61  -0.182  11.070  -8.083
  338    HD3  ARG  61           2HD      ARG  61   0.049   9.858  -6.815
  339    HE   ARG  61           HE       ARG  61   0.570   8.876  -9.532
  340   HH11  ARG  61          1HH1      ARG  61   2.197  10.499  -6.800
  341   HH12  ARG  61          2HH1      ARG  61   3.700   9.657  -7.179
  342   HH21  ARG  61          1HH2      ARG  61   2.609   7.787  -9.761
  343   HH22  ARG  61          2HH2      ARG  61   3.906   8.321  -8.713
  344    H    GLY  62           H        GLY  62  -4.536   5.354  -7.402
  345    HA2  GLY  62           1HA      GLY  62  -4.753   3.105  -7.773
  346    HA3  GLY  62           2HA      GLY  62  -3.589   3.212  -9.111
  347    H    PHE  63           H        PHE  63  -2.468   4.402  -5.967
  348    HA   PHE  63           HA       PHE  63  -1.442   1.808  -5.202
  349    HB2  PHE  63           1HB      PHE  63   0.795   1.987  -5.677
  350    HB3  PHE  63           2HB      PHE  63   0.087   2.671  -7.115
  351    HD1  PHE  63           1HD      PHE  63   0.010   5.254  -7.321
  352    HD2  PHE  63           2HD      PHE  63   2.229   3.205  -4.247
  353    HE1  PHE  63           1HE      PHE  63   1.319   7.308  -6.876
  354    HE2  PHE  63           2HE      PHE  63   3.618   5.224  -3.906
  355    HZ   PHE  63           HZ       PHE  63   3.149   7.290  -5.171
  356    H    GLY  64           H        GLY  64  -0.111   1.724  -3.368
  357    HA2  GLY  64           1HA      GLY  64   0.214   4.039  -1.583
  358    HA3  GLY  64           2HA      GLY  64  -0.948   2.842  -1.037
  359    H    PHE  65           H        PHE  65   0.396   2.491   0.784
  360    HA   PHE  65           HA       PHE  65   2.515   0.470   0.384
  361    HB2  PHE  65           1HB      PHE  65   2.943   3.122   1.804
  362    HB3  PHE  65           2HB      PHE  65   3.900   1.712   2.150
  363    HD1  PHE  65           2HD      PHE  65   3.135   4.262  -0.475
  364    HD2  PHE  65           1HD      PHE  65   5.664   0.968   0.737
  365    HE1  PHE  65           2HE      PHE  65   4.830   4.923  -2.147
  366    HE2  PHE  65           1HE      PHE  65   7.352   1.660  -0.936
  367    HZ   PHE  65           HZ       PHE  65   6.937   3.669  -2.363
  368    H    VAL  66           H        VAL  66   2.847  -0.856   2.203
  369    HA   VAL  66           HA       VAL  66   1.283  -0.340   4.684
  370    HB   VAL  66           HB       VAL  66   1.038  -2.923   3.082
  371   HG11  VAL  66          1HG1      VAL  66   1.132  -3.530   5.448
  372   HG12  VAL  66          2HG1      VAL  66  -0.039  -2.255   5.855
  373   HG13  VAL  66          3HG1      VAL  66  -0.535  -3.657   4.889
  374   HG21  VAL  66          3HG2      VAL  66  -1.399  -2.392   3.102
  375   HG22  VAL  66          1HG2      VAL  66  -1.039  -0.829   3.858
  376   HG23  VAL  66          2HG2      VAL  66  -0.457  -1.183   2.235
  377    H    THR  67           H        THR  67   2.264  -1.059   6.501
  378    HA   THR  67           HA       THR  67   4.744  -2.745   6.292
  379    HB   THR  67           HB       THR  67   4.252  -0.645   8.433
  380    HG1  THR  67           1HG      THR  67   4.519   0.315   6.375
  381   HG21  THR  67          3HG2      THR  67   6.702  -0.872   8.774
  382   HG22  THR  67          1HG2      THR  67   5.857  -2.397   9.078
  383   HG23  THR  67          2HG2      THR  67   6.747  -2.168   7.563
  384    H    PHE  68           H        PHE  68   4.809  -4.465   7.649
  385    HA   PHE  68           HA       PHE  68   2.420  -5.010   9.348
  386    HB2  PHE  68           1HB      PHE  68   4.575  -6.771   8.150
  387    HB3  PHE  68           2HB      PHE  68   3.418  -7.337   9.348
  388    HD1  PHE  68           1HD      PHE  68   1.050  -7.592   8.867
  389    HD2  PHE  68           2HD      PHE  68   3.800  -6.232   5.838
  390    HE1  PHE  68           1HE      PHE  68  -0.631  -8.085   7.118
  391    HE2  PHE  68           2HE      PHE  68   2.116  -6.742   4.083
  392    HZ   PHE  68           HZ       PHE  68  -0.105  -7.665   4.727
  393    H    MET  69           H        MET  69   2.627  -5.831  11.476
  394    HA   MET  69           HA       MET  69   4.707  -4.729  13.144
  395    HB2  MET  69           1HB      MET  69   2.603  -6.863  13.639
  396    HB3  MET  69           2HB      MET  69   3.683  -6.243  14.889
  397    HG2  MET  69           1HG      MET  69   1.731  -4.542  13.291
  398    HG3  MET  69           2HG      MET  69   1.472  -5.166  14.915
  399    HE1  MET  69           3HE      MET  69   1.767  -1.447  15.743
  400    HE2  MET  69           1HE      MET  69   0.883  -2.301  14.458
  401    HE3  MET  69           2HE      MET  69   0.940  -2.979  16.096
  402    H    ASP  70           H        ASP  70   4.679  -7.591  11.235
  403    HA   ASP  70           HA       ASP  70   7.439  -8.151  11.942
  404    HB2  ASP  70           1HB      ASP  70   6.131  -9.507  13.628
  405    HB3  ASP  70           2HB      ASP  70   5.380 -10.366  12.275
  406    H    GLN  71           H        GLN  71   8.445  -9.594  10.424
  407    HA   GLN  71           HA       GLN  71   7.733  -9.188   7.702
  408    HB2  GLN  71           1HB      GLN  71  10.010  -9.637   8.739
  409    HB3  GLN  71           2HB      GLN  71   9.522 -11.311   8.954
  410    HG2  GLN  71           1HG      GLN  71  10.927 -11.106   6.979
  411    HG3  GLN  71           2HG      GLN  71   9.310 -11.565   6.479
  412   HE21  GLN  71          2HE2      GLN  71  10.316 -10.737   4.335
  413   HE22  GLN  71          1HE2      GLN  71  10.129  -9.019   4.020
  414    H    ALA  72           H        ALA  72   6.777 -11.775   9.924
  415    HA   ALA  72           HA       ALA  72   6.153 -13.793   8.062
  416    HB1  ALA  72           1HB      ALA  72   6.258 -14.088  10.520
  417    HB2  ALA  72           2HB      ALA  72   4.766 -13.123  10.692
  418    HB3  ALA  72           3HB      ALA  72   4.727 -14.687   9.848
  419    H    GLY  73           H        GLY  73   4.370 -10.804   8.543
  420    HA2  GLY  73           1HA      GLY  73   2.027 -11.864   7.054
  421    HA3  GLY  73           2HA      GLY  73   2.225 -10.210   7.654
  422    H    VAL  74           H        VAL  74   5.001 -10.164   6.366
  423    HA   VAL  74           HA       VAL  74   4.245  -9.282   3.671
  424    HB   VAL  74           HB       VAL  74   6.965  -9.663   4.990
  425   HG11  VAL  74          1HG1      VAL  74   7.364 -10.075   2.666
  426   HG12  VAL  74          2HG1      VAL  74   6.376  -8.686   2.176
  427   HG13  VAL  74          3HG1      VAL  74   7.912  -8.440   3.029
  428   HG21  VAL  74          3HG2      VAL  74   7.040  -7.181   4.810
  429   HG22  VAL  74          1HG2      VAL  74   5.359  -7.196   4.248
  430   HG23  VAL  74          2HG2      VAL  74   5.760  -7.766   5.884
  431    H    ASP  75           H        ASP  75   5.982 -12.073   5.134
  432    HA   ASP  75           HA       ASP  75   6.600 -13.586   2.907
  433    HB2  ASP  75           1HB      ASP  75   7.100 -14.083   5.332
  434    HB3  ASP  75           2HB      ASP  75   5.447 -14.632   5.531
  435    H    LYS  76           H        LYS  76   3.431 -13.656   4.621
  436    HA   LYS  76           HA       LYS  76   2.202 -15.552   2.868
  437    HB2  LYS  76           1HB      LYS  76   0.943 -13.362   4.567
  438    HB3  LYS  76           2HB      LYS  76   0.092 -14.743   3.835
  439    HG2  LYS  76           1HG      LYS  76   1.385 -16.316   5.208
  440    HG3  LYS  76           2HG      LYS  76   2.264 -14.964   5.937
  441    HD2  LYS  76           1HD      LYS  76  -0.096 -14.010   6.546
  442    HD3  LYS  76           2HD      LYS  76  -0.716 -15.598   6.089
  443    HE2  LYS  76           1HE      LYS  76  -0.472 -15.780   8.395
  444    HE3  LYS  76           2HE      LYS  76   0.998 -16.554   7.781
  445    HZ1  LYS  76           3HZ      LYS  76   1.475 -14.979   9.583
  446    HZ2  LYS  76           1HZ      LYS  76   2.168 -14.445   8.191
  447    HZ3  LYS  76           2HZ      LYS  76   0.789 -13.746   8.742
  448    H    VAL  77           H        VAL  77   2.406 -12.015   2.623
  449    HA   VAL  77           HA       VAL  77   0.468 -11.817   0.466
  450    HB   VAL  77           HB       VAL  77   2.575  -9.840   1.381
  451   HG11  VAL  77          1HG1      VAL  77   1.971  -9.283  -0.952
  452   HG12  VAL  77          2HG1      VAL  77   0.246  -9.377  -0.541
  453   HG13  VAL  77          3HG1      VAL  77   1.269  -8.109   0.162
  454   HG21  VAL  77          3HG2      VAL  77   0.680  -8.689   2.455
  455   HG22  VAL  77          1HG2      VAL  77  -0.467  -9.862   1.776
  456   HG23  VAL  77          2HG2      VAL  77   0.686 -10.367   3.011
  457    H    LEU  78           H        LEU  78   4.009 -12.303   0.551
  458    HA   LEU  78           HA       LEU  78   4.332 -12.128  -2.347
  459    HB2  LEU  78           1HB      LEU  78   6.026 -13.484  -0.217
  460    HB3  LEU  78           2HB      LEU  78   6.553 -13.072  -1.845
  461    HG   LEU  78           HG       LEU  78   5.684 -10.988   0.211
  462   HD11  LEU  78          1HD1      LEU  78   7.523 -12.288   1.048
  463   HD12  LEU  78          2HD1      LEU  78   8.417 -12.123  -0.479
  464   HD13  LEU  78          3HD1      LEU  78   8.140 -10.691   0.547
  465   HD21  LEU  78          3HD2      LEU  78   6.916  -9.421  -1.236
  466   HD22  LEU  78          1HD2      LEU  78   7.196 -10.721  -2.418
  467   HD23  LEU  78          2HD2      LEU  78   5.540 -10.152  -2.072
  468    H    ALA  79           H        ALA  79   3.892 -14.771  -0.005
  469    HA   ALA  79           HA       ALA  79   4.269 -16.882  -1.840
  470    HB1  ALA  79           1HB      ALA  79   4.505 -17.084   0.604
  471    HB2  ALA  79           2HB      ALA  79   2.752 -16.845   0.806
  472    HB3  ALA  79           3HB      ALA  79   3.368 -18.292  -0.019
  473    H    GLN  80           H        GLN  80   1.455 -14.892  -1.498
  474    HA   GLN  80           HA       GLN  80  -0.353 -16.880  -2.761
  475    HB2  GLN  80           1HB      GLN  80  -1.126 -15.641  -0.787
  476    HB3  GLN  80           2HB      GLN  80  -0.881 -14.105  -1.625
  477    HG2  GLN  80           1HG      GLN  80  -2.593 -14.682  -3.278
  478    HG3  GLN  80           2HG      GLN  80  -2.762 -16.304  -2.606
  479   HE21  GLN  80          2HE2      GLN  80  -4.415 -13.493  -2.763
  480   HE22  GLN  80          1HE2      GLN  80  -5.240 -13.584  -1.204
  481    H    SER  81           H        SER  81  -1.006 -16.762  -4.873
  482    HA   SER  81           HA       SER  81   0.667 -15.267  -6.642
  483    HB2  SER  81           1HB      SER  81  -1.737 -16.993  -7.310
  484    HB3  SER  81           2HB      SER  81  -0.397 -16.563  -8.384
  485    HG   SER  81           HG       SER  81  -0.139 -18.671  -7.484
  486    H    ARG  82           H        ARG  82  -2.331 -14.256  -5.347
  487    HA   ARG  82           HA       ARG  82  -2.586 -12.016  -7.178
  488    HB2  ARG  82           1HB      ARG  82  -3.613 -13.906  -8.489
  489    HB3  ARG  82           2HB      ARG  82  -4.800 -14.117  -7.201
  490    HG2  ARG  82           1HG      ARG  82  -5.694 -11.856  -7.622
  491    HG3  ARG  82           2HG      ARG  82  -4.399 -11.545  -8.799
  492    HD2  ARG  82           1HD      ARG  82  -5.268 -13.378 -10.219
  493    HD3  ARG  82           2HD      ARG  82  -6.563 -13.677  -9.040
  494    HE   ARG  82           HE       ARG  82  -6.712 -10.949  -9.719
  495   HH11  ARG  82          1HH1      ARG  82  -7.189 -14.023 -11.415
  496   HH12  ARG  82          2HH1      ARG  82  -8.269 -13.308 -12.575
  497   HH21  ARG  82          1HH2      ARG  82  -8.055 -10.098 -11.233
  498   HH22  ARG  82          2HH2      ARG  82  -8.770 -11.105 -12.469
  499    H    HIS  83           H        HIS  83  -3.990 -10.415  -6.431
  500    HA   HIS  83           HA       HIS  83  -5.469 -10.793  -3.883
  501    HB2  HIS  83           1HB      HIS  83  -3.276  -8.750  -4.433
  502    HB3  HIS  83           2HB      HIS  83  -4.391  -8.658  -3.066
  503    HD1  HIS  83           1HD      HIS  83  -4.090 -10.652  -1.181
  504    HD2  HIS  83           2HD      HIS  83  -1.173 -10.337  -4.191
  505    HE1  HIS  83           1HE      HIS  83  -2.060 -11.979  -0.362
  506    H    GLU  84           H        GLU  84  -7.098  -9.118  -3.531
  507    HA   GLU  84           HA       GLU  84  -7.732  -7.295  -5.759
  508    HB2  GLU  84           1HB      GLU  84  -8.606  -9.616  -6.361
  509    HB3  GLU  84           2HB      GLU  84  -9.678  -9.488  -4.961
  510    HG2  GLU  84           1HG      GLU  84 -10.564  -7.315  -6.006
  511    HG3  GLU  84           2HG      GLU  84  -9.617  -7.719  -7.442
  512    H    LEU  85           H        LEU  85  -8.725  -5.528  -5.068
  513    HA   LEU  85           HA       LEU  85 -10.277  -5.435  -2.562
  514    HB2  LEU  85           1HB      LEU  85  -7.996  -5.128  -1.779
  515    HB3  LEU  85           2HB      LEU  85  -7.669  -3.945  -3.048
  516    HG   LEU  85           HG       LEU  85  -9.225  -2.344  -2.001
  517   HD11  LEU  85          1HD1      LEU  85 -10.860  -3.783  -0.906
  518   HD12  LEU  85          2HD1      LEU  85  -9.607  -4.517   0.107
  519   HD13  LEU  85          3HD1      LEU  85 -10.058  -2.815   0.335
  520   HD21  LEU  85          3HD2      LEU  85  -7.855  -1.858  -0.024
  521   HD22  LEU  85          1HD2      LEU  85  -7.175  -3.498  -0.061
  522   HD23  LEU  85          2HD2      LEU  85  -6.838  -2.363  -1.386
  523    H    ASP  86           H        ASP  86 -11.915  -4.046  -2.737
  524    HA   ASP  86           HA       ASP  86 -13.503  -2.781  -3.681
  525    HB2  ASP  86           1HB      ASP  86 -11.726  -1.050  -3.103
  526    HB3  ASP  86           2HB      ASP  86 -11.315  -1.011  -4.817
  527    H    SER  87           H        SER  87 -12.760  -5.046  -5.135
  528    HA   SER  87           HA       SER  87 -13.144  -6.166  -7.065
  529    HB2  SER  87           1HB      SER  87 -14.609  -3.697  -8.053
  530    HB3  SER  87           2HB      SER  87 -14.718  -5.341  -8.686
  531    HG   SER  87           HG       SER  87 -15.466  -4.511  -6.058
  532    H    LYS  88           H        LYS  88 -10.673  -4.418  -6.814
  533    HA   LYS  88           HA       LYS  88  -9.859  -4.508  -9.688
  534    HB2  LYS  88           1HB      LYS  88  -9.259  -2.471  -7.509
  535    HB3  LYS  88           2HB      LYS  88  -8.176  -2.682  -8.875
  536    HG2  LYS  88           1HG      LYS  88 -11.132  -2.184  -9.265
  537    HG3  LYS  88           2HG      LYS  88  -9.993  -0.845  -9.026
  538    HD2  LYS  88           1HD      LYS  88  -8.706  -1.571 -11.004
  539    HD3  LYS  88           2HD      LYS  88  -9.846  -2.890 -11.294
  540    HE2  LYS  88           1HE      LYS  88 -10.572   0.078 -11.251
  541    HE3  LYS  88           2HE      LYS  88 -10.225  -0.849 -12.713
  542    HZ1  LYS  88           3HZ      LYS  88 -12.599  -0.724 -12.327
  543    HZ2  LYS  88           1HZ      LYS  88 -12.123  -2.280 -12.185
  544    HZ3  LYS  88           2HZ      LYS  88 -12.465  -1.400 -10.848
  545    H    THR  89           H        THR  89  -8.075  -5.578 -10.121
  546    HA   THR  89           HA       THR  89  -6.956  -7.406  -8.090
  547    HB   THR  89           HB       THR  89  -6.301  -7.062 -11.041
  548    HG1  THR  89           1HG      THR  89  -8.391  -7.881 -10.466
  549   HG21  THR  89          3HG2      THR  89  -5.230  -9.302 -10.795
  550   HG22  THR  89          1HG2      THR  89  -4.369  -8.060  -9.881
  551   HG23  THR  89          2HG2      THR  89  -5.437  -9.194  -9.029
  552    H    ILE  90           H        ILE  90  -5.295  -6.924  -6.825
  553    HA   ILE  90           HA       ILE  90  -3.700  -4.474  -7.453
  554    HB   ILE  90           HB       ILE  90  -3.306  -4.168  -5.142
  555   HG12  ILE  90          1HG1      ILE  90  -4.836  -6.698  -4.508
  556   HG13  ILE  90          2HG1      ILE  90  -3.077  -6.491  -4.414
  557   HG21  ILE  90          1HG2      ILE  90  -5.509  -3.405  -6.142
  558   HG22  ILE  90          2HG2      ILE  90  -6.266  -4.859  -5.458
  559   HG23  ILE  90          3HG2      ILE  90  -5.579  -3.640  -4.394
  560   HD11  ILE  90          3HD1      ILE  90  -3.877  -6.223  -2.206
  561   HD12  ILE  90          1HD1      ILE  90  -3.466  -4.590  -2.786
  562   HD13  ILE  90          2HD1      ILE  90  -5.165  -5.115  -2.709
  563    H    ASP  91           H        ASP  91  -1.482  -4.396  -6.829
  564    HA   ASP  91           HA       ASP  91  -0.026  -6.979  -7.273
  565    HB2  ASP  91           1HB      ASP  91  -0.390  -5.793  -9.380
  566    HB3  ASP  91           2HB      ASP  91   0.336  -4.333  -8.705
  567    HA   PRO  92           HA       PRO  92   1.979  -4.713  -3.832
  568    HB2  PRO  92           1HB      PRO  92   1.757  -6.644  -1.865
  569    HB3  PRO  92           2HB      PRO  92   0.544  -5.388  -2.218
  570    HG2  PRO  92           1HG      PRO  92   0.387  -8.283  -2.803
  571    HG3  PRO  92           2HG      PRO  92  -0.919  -7.050  -2.706
  572    HD2  PRO  92           1HD      PRO  92   0.368  -8.123  -5.061
  573    HD3  PRO  92           2HD      PRO  92  -0.960  -6.948  -4.936
  574    H    LYS  93           H        LYS  93   4.043  -4.866  -3.062
  575    HA   LYS  93           HA       LYS  93   5.781  -7.183  -3.543
  576    HB2  LYS  93           1HB      LYS  93   7.185  -5.999  -5.201
  577    HB3  LYS  93           2HB      LYS  93   5.547  -6.258  -5.795
  578    HG2  LYS  93           1HG      LYS  93   4.973  -3.899  -5.196
  579    HG3  LYS  93           2HG      LYS  93   6.625  -3.648  -4.629
  580    HD2  LYS  93           1HD      LYS  93   6.450  -2.692  -6.824
  581    HD3  LYS  93           2HD      LYS  93   7.467  -4.127  -6.920
  582    HE2  LYS  93           1HE      LYS  93   6.043  -4.155  -8.836
  583    HE3  LYS  93           2HE      LYS  93   5.474  -5.431  -7.762
  584    HZ1  LYS  93           3HZ      LYS  93   3.645  -4.161  -8.642
  585    HZ2  LYS  93           1HZ      LYS  93   3.690  -3.912  -7.038
  586    HZ3  LYS  93           2HZ      LYS  93   4.234  -2.746  -8.081
  587    H    VAL  94           H        VAL  94   8.083  -6.683  -2.914
  588    HA   VAL  94           HA       VAL  94   8.104  -5.465  -0.312
  589    HB   VAL  94           HB       VAL  94  10.469  -6.315  -2.031
  590   HG11  VAL  94          1HG1      VAL  94  11.262  -4.795  -0.271
  591   HG12  VAL  94          2HG1      VAL  94  10.321  -5.677   0.955
  592   HG13  VAL  94          3HG1      VAL  94  11.702  -6.450   0.146
  593   HG21  VAL  94          3HG2      VAL  94  10.441  -8.345  -0.569
  594   HG22  VAL  94          1HG2      VAL  94   8.934  -7.768   0.177
  595   HG23  VAL  94          2HG2      VAL  94   8.980  -8.207  -1.545
  596    H    ALA  95           H        ALA  95   8.736  -3.501   0.428
  597    HA   ALA  95           HA       ALA  95   8.757  -1.311  -1.507
  598    HB1  ALA  95           1HB      ALA  95   7.413  -1.205   0.548
  599    HB2  ALA  95           2HB      ALA  95   8.884  -1.357   1.535
  600    HB3  ALA  95           3HB      ALA  95   8.625   0.087   0.537
  601    H    PHE  96           H        PHE  96  10.376   0.076  -2.020
  602    HA   PHE  96           HA       PHE  96  13.129  -0.430  -1.469
  603    HB2  PHE  96           1HB      PHE  96  11.819   2.195  -2.260
  604    HB3  PHE  96           2HB      PHE  96  13.519   1.794  -2.432
  605    HD1  PHE  96           2HD      PHE  96  12.832  -1.174  -3.561
  606    HD2  PHE  96           1HD      PHE  96  11.653   2.855  -4.577
  607    HE1  PHE  96           2HE      PHE  96  12.372  -1.886  -5.880
  608    HE2  PHE  96           1HE      PHE  96  11.199   2.129  -6.901
  609    HZ   PHE  96           HZ       PHE  96  11.549  -0.246  -7.558
  610    HA   PRO  97           HA       PRO  97  13.295   0.790   2.706
  611    HB2  PRO  97           1HB      PRO  97  15.968   1.290   3.122
  612    HB3  PRO  97           2HB      PRO  97  15.299  -0.334   2.779
  613    HG2  PRO  97           1HG      PRO  97  16.513   1.629   0.803
  614    HG3  PRO  97           2HG      PRO  97  16.918  -0.106   1.028
  615    HD2  PRO  97           1HD      PRO  97  15.190   0.678  -0.897
  616    HD3  PRO  97           2HD      PRO  97  14.866  -0.801   0.059
  617    H    ARG  98           H        ARG  98  13.988   2.435   4.298
  618    HA   ARG  98           HA       ARG  98  14.083   5.221   3.320
  619    HB2  ARG  98           1HB      ARG  98  12.098   5.796   4.563
  620    HB3  ARG  98           2HB      ARG  98  11.726   4.571   3.349
  621    HG2  ARG  98           1HG      ARG  98  11.590   2.835   5.063
  622    HG3  ARG  98           2HG      ARG  98  12.135   3.969   6.317
  623    HD2  ARG  98           1HD      ARG  98  10.136   5.349   5.995
  624    HD3  ARG  98           2HD      ARG  98   9.588   4.287   4.686
  625    HE   ARG  98           HE       ARG  98   9.923   2.581   6.837
  626   HH11  ARG  98          1HH1      ARG  98   7.978   5.574   6.509
  627   HH12  ARG  98          2HH1      ARG  98   6.669   4.825   7.431
  628   HH21  ARG  98          1HH2      ARG  98   8.146   1.881   8.132
  629   HH22  ARG  98          2HH2      ARG  98   6.786   2.985   8.315
  630    H    ARG  99           H        ARG  99  14.089   6.771   5.190
  631    HA   ARG  99           HA       ARG  99  15.455   5.794   7.655
  632    HB2  ARG  99           1HB      ARG  99  17.142   6.515   6.055
  633    HB3  ARG  99           2HB      ARG  99  16.383   8.117   5.971
  634    HG2  ARG  99           1HG      ARG  99  16.796   8.480   8.360
  635    HG3  ARG  99           2HG      ARG  99  17.414   6.820   8.552
  636    HD2  ARG  99           1HD      ARG  99  19.308   7.282   7.132
  637    HD3  ARG  99           2HD      ARG  99  18.574   8.813   6.622
  638    HE   ARG  99           HE       ARG  99  18.941   8.829   9.471
  639   HH11  ARG  99          1HH1      ARG  99  20.941   9.103   6.554
  640   HH12  ARG  99          2HH1      ARG  99  22.147  10.042   7.383
  641   HH21  ARG  99          1HH2      ARG  99  20.458   9.991  10.439
  642   HH22  ARG  99          2HH2      ARG  99  21.888  10.551   9.591
  643    H    ALA 100           H        ALA 100  14.656   6.653   9.449
  644    HA   ALA 100           HA       ALA 100  13.433   9.303   9.620
  645    HB1  ALA 100           1HB      ALA 100  11.515   7.950   8.835
  646    HB2  ALA 100           2HB      ALA 100  11.788   6.776  10.142
  647    HB3  ALA 100           3HB      ALA 100  11.281   8.434  10.523
  648    H    GLN 101           H        GLN 101  13.663  10.139  11.668
  649    HA   GLN 101           HA       GLN 101  14.570   8.458  13.923
  650    HB2  GLN 101           1HB      GLN 101  16.205  10.645  12.546
  651    HB3  GLN 101           2HB      GLN 101  16.531  10.077  14.180
  652    HG2  GLN 101           1HG      GLN 101  16.913   7.771  13.313
  653    HG3  GLN 101           2HG      GLN 101  16.643   8.357  11.666
  654   HE21  GLN 101          2HE2      GLN 101  18.855   8.718  14.499
  655   HE22  GLN 101          1HE2      GLN 101  20.202   9.265  13.516
  656    HA   PRO 102           HA       PRO 102  12.282  11.616  16.094
  657    HB2  PRO 102           1HB      PRO 102  13.159  11.335  18.656
  658    HB3  PRO 102           2HB      PRO 102  12.227  10.055  17.819
  659    HG2  PRO 102           1HG      PRO 102  15.245  10.265  18.112
  660    HG3  PRO 102           2HG      PRO 102  14.196   8.856  18.480
  661    HD2  PRO 102           1HD      PRO 102  15.502   9.096  16.102
  662    HD3  PRO 102           2HD      PRO 102  13.861   8.390  16.193
  663    H    LYS 103           H        LYS 103  12.505  13.595  17.391
  664    HA   LYS 103           HA       LYS 103  15.043  14.923  17.699
  665    HB2  LYS 103           1HB      LYS 103  14.884  16.645  16.128
  666    HB3  LYS 103           2HB      LYS 103  14.692  15.165  15.225
  667    HG2  LYS 103           1HG      LYS 103  12.496  17.137  16.011
  668    HG3  LYS 103           2HG      LYS 103  13.225  16.971  14.431
  669    HD2  LYS 103           1HD      LYS 103  11.415  14.960  15.815
  670    HD3  LYS 103           2HD      LYS 103  11.006  15.973  14.444
  671    HE2  LYS 103           1HE      LYS 103  13.134  13.785  14.418
  672    HE3  LYS 103           2HE      LYS 103  11.475  13.578  13.865
  673    HZ1  LYS 103           3HZ      LYS 103  12.950  14.048  12.022
  674    HZ2  LYS 103           1HZ      LYS 103  11.885  15.276  12.171
  675    HZ3  LYS 103           2HZ      LYS 103  13.432  15.464  12.670
  676    H5'    G 104           H5'        G 104  -5.264  -0.666 -13.733
  677   H5''    G 104          H5"         G 104  -3.600  -0.375 -13.211
  678    H4'    G 104           H4'        G 104  -4.461   1.580 -14.367
  679    H3'    G 104           H3'        G 104  -3.366   1.689 -11.722
  680    H2'    G 104           H2'        G 104  -5.316   2.470 -10.723
  681   HO2'    G 104          HO2         G 104  -3.933   4.606 -11.897
  682    H1'    G 104           H1'        G 104  -6.021   3.843 -13.342
  683    H8     G 104           8H         G 104  -7.453   2.364 -10.061
  684    H1     G 104           1H         G 104 -11.608   5.730 -13.642
  685    H21    G 104           1H2        G 104 -10.606   6.277 -15.586
  686    H22    G 104           2H2        G 104  -8.956   5.760 -15.886
  687   HO5'    G 104          H5T         G 104  -5.957  -0.288 -11.592
  688    H5'    U 105           H5'        U 105  -1.966   3.001 -10.605
  689   H5''    U 105          H5"         U 105  -0.975   4.262 -11.339
  690    H4'    U 105           H4'        U 105  -0.045   3.583  -9.226
  691    H3'    U 105           H3'        U 105   1.387   3.788 -11.576
  692    H2'    U 105           H2'        U 105   1.603   1.539 -12.034
  693   HO2'    U 105          HO2         U 105   3.784   2.505 -11.081
  694    H1'    U 105           H1'        U 105   1.904   0.757  -9.155
  695    H3     U 105           3H         U 105   1.941  -3.589 -10.553
  696    H5     U 105           5H         U 105  -1.396  -1.991 -12.501
  697    H6     U 105           6H         U 105  -0.850   0.191 -11.580
  698    H5'    A 106           H5'        A 106   5.105   3.885  -8.399
  699   H5''    A 106          H5"         A 106   3.753   4.276  -7.324
  700    H4'    A 106           H4'        A 106   4.948   6.214  -6.434
  701    H3'    A 106           H3'        A 106   6.426   6.383  -8.713
  702    H2'    A 106           H2'        A 106   7.365   4.226  -8.562
  703   HO2'    A 106          HO2         A 106   9.139   6.152  -7.529
  704    H1'    A 106           H1'        A 106   8.057   4.656  -5.636
  705    H8     A 106           8H         A 106   6.998   2.045  -8.328
  706    H61    A 106           1H6        A 106   9.075  -1.977  -3.978
  707    H62    A 106           2H6        A 106   8.519  -1.883  -5.648
  708    H2     A 106           2H         A 106   9.230   1.986  -2.291
  709    H5'    G 107           H5'        G 107   7.924   8.481  -4.284
  710   H5''    G 107          H5"         G 107   7.254   6.860  -4.082
  711    H4'    G 107           H4'        G 107   5.779   9.124  -2.760
  712    H3'    G 107           H3'        G 107   8.489   8.102  -1.865
  713    H2'    G 107           H2'        G 107   7.740   8.462   0.343
  714   HO2'    G 107          HO2         G 107   6.629  10.592  -0.489
  715    H1'    G 107           H1'        G 107   5.035   7.799  -0.176
  716    H8     G 107           8H         G 107   4.781   6.178   1.627
  717    H1     G 107           1H         G 107  10.507   3.392   0.638
  718    H21    G 107           1H2        G 107  11.561   4.482  -1.022
  719    H22    G 107           2H2        G 107  10.731   5.748  -1.909
  720    H5'    U 108           H5'        U 108   8.722  10.305   0.832
  721   H5''    U 108          H5"         U 108  10.030  11.475   0.775
  722    H4'    U 108           H4'        U 108  11.494  10.151   2.000
  723    H3'    U 108           H3'        U 108  10.603   7.847   0.737
  724   HO3'    U 108          H3T         U 108  12.018   8.249   3.198
  725    H2'    U 108           H2'        U 108   8.567   7.619   1.921
  726   HO2'    U 108          HO2         U 108  10.655   6.242   3.030
  727    H1'    U 108           H1'        U 108   9.868   8.441   4.496
  728    H3     U 108           3H         U 108   5.802   7.681   6.377
  729    H5     U 108           5H         U 108   4.904  10.197   3.159
  730    H6     U 108           6H         U 108   7.232  10.078   2.456
  Start of MODEL   19
    1    H    CYS  20           1H       CYS  20  10.480  -4.465   6.592
    2    HA   CYS  20           HA       CYS  20   8.915  -6.285   6.468
    3    HB2  CYS  20           1HB      CYS  20   7.686  -5.124   9.017
    4    HB3  CYS  20           2HB      CYS  20   7.171  -6.563   8.148
    5    HG   CYS  20           HG       CYS  20   8.391  -7.143  10.454
    6    H    LYS  21           H        LYS  21   8.828  -4.592   4.607
    7    HA   LYS  21           HA       LYS  21   6.331  -2.994   4.772
    8    HB2  LYS  21           1HB      LYS  21   8.244  -1.628   5.653
    9    HB3  LYS  21           2HB      LYS  21   9.025  -1.760   4.074
   10    HG2  LYS  21           1HG      LYS  21   7.141  -0.553   3.020
   11    HG3  LYS  21           2HG      LYS  21   6.256  -0.553   4.552
   12    HD2  LYS  21           1HD      LYS  21   8.084   0.810   5.578
   13    HD3  LYS  21           2HD      LYS  21   8.920   0.825   4.006
   14    HE2  LYS  21           1HE      LYS  21   6.857   1.879   2.999
   15    HE3  LYS  21           2HE      LYS  21   6.157   1.981   4.625
   16    HZ1  LYS  21           3HZ      LYS  21   7.271   4.037   3.894
   17    HZ2  LYS  21           1HZ      LYS  21   8.011   3.438   5.242
   18    HZ3  LYS  21           2HZ      LYS  21   8.681   3.261   3.744
   19    H    MET  22           H        MET  22   5.357  -2.462   2.898
   20    HA   MET  22           HA       MET  22   6.374  -3.626   0.348
   21    HB2  MET  22           1HB      MET  22   3.669  -4.165   1.646
   22    HB3  MET  22           2HB      MET  22   4.159  -4.677   0.027
   23    HG2  MET  22           1HG      MET  22   6.077  -5.950   1.091
   24    HG3  MET  22           2HG      MET  22   5.410  -5.527   2.662
   25    HE1  MET  22           3HE      MET  22   3.894  -8.590  -0.369
   26    HE2  MET  22           1HE      MET  22   3.674  -6.875  -0.779
   27    HE3  MET  22           2HE      MET  22   5.302  -7.520  -0.469
   28    H    PHE  23           H        PHE  23   5.794  -2.680  -1.428
   29    HA   PHE  23           HA       PHE  23   4.236  -0.150  -1.517
   30    HB2  PHE  23           1HB      PHE  23   6.291  -0.153  -2.790
   31    HB3  PHE  23           2HB      PHE  23   5.961  -1.743  -3.459
   32    HD1  PHE  23           1HD      PHE  23   4.249  -2.067  -5.237
   33    HD2  PHE  23           2HD      PHE  23   5.265   1.855  -3.789
   34    HE1  PHE  23           1HE      PHE  23   3.214  -1.064  -7.239
   35    HE2  PHE  23           2HE      PHE  23   4.211   2.851  -5.789
   36    HZ   PHE  23           HZ       PHE  23   3.180   1.417  -7.520
   37    H    ILE  24           H        ILE  24   2.190  -0.112  -2.415
   38    HA   ILE  24           HA       ILE  24   0.967  -2.748  -3.200
   39    HB   ILE  24           HB       ILE  24  -0.506  -0.500  -1.808
   40   HG12  ILE  24          1HG1      ILE  24   1.154  -1.107  -0.173
   41   HG13  ILE  24          2HG1      ILE  24  -0.438  -1.653   0.297
   42   HG21  ILE  24          1HG2      ILE  24  -1.792  -2.164  -3.119
   43   HG22  ILE  24          2HG2      ILE  24  -1.117  -3.467  -2.135
   44   HG23  ILE  24          3HG2      ILE  24  -2.158  -2.237  -1.389
   45   HD11  ILE  24          3HD1      ILE  24   1.371  -3.265   0.847
   46   HD12  ILE  24          1HD1      ILE  24   0.120  -3.963  -0.180
   47   HD13  ILE  24          2HD1      ILE  24   1.683  -3.499  -0.876
   48    H    GLY  25           H        GLY  25   1.026  -2.552  -5.411
   49    HA2  GLY  25           1HA      GLY  25   0.212  -0.015  -6.724
   50    HA3  GLY  25           2HA      GLY  25   0.953  -1.440  -7.479
   51    H    GLY  26           H        GLY  26  -1.154  -0.086  -8.630
   52    HA2  GLY  26           1HA      GLY  26  -2.915  -0.735  -9.968
   53    HA3  GLY  26           2HA      GLY  26  -2.814  -2.366  -9.267
   54    H    LEU  27           H        LEU  27  -3.322   0.220  -7.013
   55    HA   LEU  27           HA       LEU  27  -5.757  -0.888  -5.984
   56    HB2  LEU  27           1HB      LEU  27  -4.570   1.902  -5.638
   57    HB3  LEU  27           2HB      LEU  27  -5.852   1.218  -4.664
   58    HG   LEU  27           HG       LEU  27  -2.968   0.241  -4.727
   59   HD11  LEU  27          1HD1      LEU  27  -3.420   2.419  -3.565
   60   HD12  LEU  27          2HD1      LEU  27  -4.617   1.611  -2.551
   61   HD13  LEU  27          3HD1      LEU  27  -2.903   1.142  -2.450
   62   HD21  LEU  27          3HD2      LEU  27  -3.826  -1.112  -2.693
   63   HD22  LEU  27          1HD2      LEU  27  -5.435  -0.903  -3.403
   64   HD23  LEU  27          2HD2      LEU  27  -4.137  -1.707  -4.321
   65    H    SER  28           H        SER  28  -7.816   0.182  -5.776
   66    HA   SER  28           HA       SER  28  -8.880   1.348  -8.277
   67    HB2  SER  28           1HB      SER  28 -10.303  -0.156  -6.954
   68    HB3  SER  28           2HB      SER  28 -10.082   0.857  -5.524
   69    HG   SER  28           HG       SER  28 -12.053   1.245  -6.569
   70    H    TRP  29           H        TRP  29  -9.431   3.552  -8.534
   71    HA   TRP  29           HA       TRP  29  -8.171   5.570  -6.960
   72    HB2  TRP  29           1HB      TRP  29 -10.381   5.564  -8.996
   73    HB3  TRP  29           2HB      TRP  29  -9.933   7.037  -8.141
   74    HD1  TRP  29           HD       TRP  29  -6.785   5.269  -8.658
   75    HE1  TRP  29           1HE      TRP  29  -5.556   6.049 -10.747
   76    HE3  TRP  29           3HE      TRP  29 -10.591   7.855 -10.918
   77    HZ2  TRP  29           2HZ      TRP  29  -6.075   7.755 -13.022
   78    HZ3  TRP  29           3HZ      TRP  29 -10.193   9.035 -13.064
   79    HH2  TRP  29           HH       TRP  29  -7.947   8.995 -14.126
   80    H    GLN  30           H        GLN  30 -10.921   3.709  -6.138
   81    HA   GLN  30           HA       GLN  30 -11.939   5.695  -4.180
   82    HB2  GLN  30           1HB      GLN  30 -12.841   2.833  -4.615
   83    HB3  GLN  30           2HB      GLN  30 -13.694   4.115  -3.761
   84    HG2  GLN  30           1HG      GLN  30 -13.853   5.368  -5.967
   85    HG3  GLN  30           2HG      GLN  30 -13.225   3.917  -6.764
   86   HE21  GLN  30          2HE2      GLN  30 -14.545   1.757  -5.861
   87   HE22  GLN  30          1HE2      GLN  30 -16.285   2.005  -5.962
   88    H    THR  31           H        THR  31  -9.449   3.302  -4.171
   89    HA   THR  31           HA       THR  31  -9.889   2.161  -1.575
   90    HB   THR  31           HB       THR  31  -7.319   2.398  -3.195
   91    HG1  THR  31           1HG      THR  31  -9.275   0.336  -2.999
   92   HG21  THR  31          3HG2      THR  31  -6.729   0.284  -1.939
   93   HG22  THR  31          1HG2      THR  31  -6.738   1.736  -0.935
   94   HG23  THR  31          2HG2      THR  31  -8.099   0.592  -0.856
   95    H    THR  32           H        THR  32  -9.158   2.665   0.404
   96    HA   THR  32           HA       THR  32  -7.550   5.146   0.838
   97    HB   THR  32           HB       THR  32  -8.730   5.456   2.947
   98    HG1  THR  32           1HG      THR  32 -10.592   4.085   3.314
   99   HG21  THR  32          3HG2      THR  32 -10.910   6.132   2.159
  100   HG22  THR  32          1HG2      THR  32  -9.732   6.463   0.878
  101   HG23  THR  32          2HG2      THR  32 -10.808   5.054   0.753
  102    H    GLN  33           H        GLN  33  -6.273   5.088   2.842
  103    HA   GLN  33           HA       GLN  33  -4.769   2.635   3.082
  104    HB2  GLN  33           1HB      GLN  33  -3.514   3.867   4.843
  105    HB3  GLN  33           2HB      GLN  33  -3.596   4.600   3.253
  106    HG2  GLN  33           1HG      GLN  33  -5.457   6.119   4.159
  107    HG3  GLN  33           2HG      GLN  33  -5.004   5.527   5.762
  108   HE21  GLN  33          2HE2      GLN  33  -3.622   7.067   6.748
  109   HE22  GLN  33          1HE2      GLN  33  -2.436   8.009   5.862
  110    H    GLU  34           H        GLU  34  -7.501   3.852   4.900
  111    HA   GLU  34           HA       GLU  34  -7.299   1.860   7.026
  112    HB2  GLU  34           1HB      GLU  34  -9.681   3.422   5.942
  113    HB3  GLU  34           2HB      GLU  34  -9.720   2.360   7.356
  114    HG2  GLU  34           1HG      GLU  34  -7.979   3.760   8.456
  115    HG3  GLU  34           2HG      GLU  34  -7.994   4.858   7.073
  116    H    GLY  35           H        GLY  35  -8.771   1.984   3.762
  117    HA2  GLY  35           1HA      GLY  35  -9.970  -0.635   3.793
  118    HA3  GLY  35           2HA      GLY  35  -9.538   0.333   2.363
  119    H    LEU  36           H        LEU  36  -6.677   0.524   2.917
  120    HA   LEU  36           HA       LEU  36  -5.708  -2.050   2.110
  121    HB2  LEU  36           1HB      LEU  36  -4.100   0.161   3.491
  122    HB3  LEU  36           2HB      LEU  36  -3.453  -1.223   2.642
  123    HG   LEU  36           HG       LEU  36  -4.851   1.171   1.435
  124   HD11  LEU  36          1HD1      LEU  36  -2.440   1.367   1.997
  125   HD12  LEU  36          2HD1      LEU  36  -2.100  -0.056   0.989
  126   HD13  LEU  36          3HD1      LEU  36  -2.722   1.427   0.246
  127   HD21  LEU  36          3HD2      LEU  36  -4.522   0.079  -0.768
  128   HD22  LEU  36          1HD2      LEU  36  -4.112  -1.439   0.061
  129   HD23  LEU  36          2HD2      LEU  36  -5.733  -0.718   0.235
  130    H    ARG  37           H        ARG  37  -5.617  -0.539   5.405
  131    HA   ARG  37           HA       ARG  37  -4.546  -2.844   6.682
  132    HB2  ARG  37           1HB      ARG  37  -4.743  -0.675   7.797
  133    HB3  ARG  37           2HB      ARG  37  -6.509  -0.765   7.753
  134    HG2  ARG  37           1HG      ARG  37  -6.501  -2.721   9.253
  135    HG3  ARG  37           2HG      ARG  37  -4.731  -2.771   9.212
  136    HD2  ARG  37           1HD      ARG  37  -4.743  -0.436  10.175
  137    HD3  ARG  37           2HD      ARG  37  -6.507  -0.561  10.295
  138    HE   ARG  37           HE       ARG  37  -4.849  -2.652  11.643
  139   HH11  ARG  37          1HH1      ARG  37  -6.741   0.317  12.124
  140   HH12  ARG  37          2HH1      ARG  37  -7.030  -0.043  13.799
  141   HH21  ARG  37          1HH2      ARG  37  -5.358  -3.097  13.752
  142   HH22  ARG  37          2HH2      ARG  37  -6.227  -1.929  14.722
  143    H    GLU  38           H        GLU  38  -7.933  -2.067   5.928
  144    HA   GLU  38           HA       GLU  38  -9.155  -4.251   7.160
  145    HB2  GLU  38           1HB      GLU  38 -10.061  -2.119   5.744
  146    HB3  GLU  38           2HB      GLU  38 -10.258  -3.361   4.504
  147    HG2  GLU  38           1HG      GLU  38 -11.527  -4.729   6.193
  148    HG3  GLU  38           2HG      GLU  38 -11.322  -3.402   7.348
  149    H    TYR  39           H        TYR  39  -7.531  -4.155   3.993
  150    HA   TYR  39           HA       TYR  39  -8.235  -6.932   3.324
  151    HB2  TYR  39           1HB      TYR  39  -8.066  -5.124   1.644
  152    HB3  TYR  39           2HB      TYR  39  -6.347  -4.967   1.982
  153    HD1  TYR  39           1HD      TYR  39  -8.951  -7.471   0.956
  154    HD2  TYR  39           2HD      TYR  39  -4.787  -6.360   0.833
  155    HE1  TYR  39           1HE      TYR  39  -8.481  -9.419  -0.509
  156    HE2  TYR  39           2HE      TYR  39  -4.311  -8.287  -0.650
  157    HH   TYR  39           HH       TYR  39  -6.888 -10.632  -1.595
  158    H    PHE  40           H        PHE  40  -5.319  -5.163   4.375
  159    HA   PHE  40           HA       PHE  40  -3.658  -7.517   4.139
  160    HB2  PHE  40           1HB      PHE  40  -3.176  -4.643   4.901
  161    HB3  PHE  40           2HB      PHE  40  -1.913  -5.817   5.118
  162    HD1  PHE  40           1HD      PHE  40  -1.691  -7.536   2.940
  163    HD2  PHE  40           2HD      PHE  40  -3.197  -3.504   2.821
  164    HE1  PHE  40           1HE      PHE  40  -1.361  -7.480   0.485
  165    HE2  PHE  40           2HE      PHE  40  -2.878  -3.455   0.374
  166    HZ   PHE  40           HZ       PHE  40  -1.973  -5.444  -0.809
  167    H    GLY  41           H        GLY  41  -5.430  -6.189   6.818
  168    HA2  GLY  41           1HA      GLY  41  -4.056  -7.478   8.964
  169    HA3  GLY  41           2HA      GLY  41  -5.763  -7.004   8.936
  170    H    GLN  42           H        GLN  42  -5.755  -8.948   6.382
  171    HA   GLN  42           HA       GLN  42  -6.606 -11.402   7.696
  172    HB2  GLN  42           1HB      GLN  42  -5.860 -10.874   4.785
  173    HB3  GLN  42           2HB      GLN  42  -6.741 -12.271   5.399
  174    HG2  GLN  42           1HG      GLN  42  -8.602 -10.770   6.120
  175    HG3  GLN  42           2HG      GLN  42  -7.727  -9.390   5.448
  176   HE21  GLN  42          2HE2      GLN  42  -7.209  -9.477   3.062
  177   HE22  GLN  42          1HE2      GLN  42  -8.359 -10.306   2.016
  178    H    PHE  43           H        PHE  43  -3.547 -10.190   6.468
  179    HA   PHE  43           HA       PHE  43  -2.250 -12.866   6.591
  180    HB2  PHE  43           1HB      PHE  43  -1.196 -10.222   5.513
  181    HB3  PHE  43           2HB      PHE  43  -0.486 -11.809   5.298
  182    HD1  PHE  43           2HD      PHE  43  -1.561 -13.477   3.771
  183    HD2  PHE  43           1HD      PHE  43  -3.126  -9.506   4.213
  184    HE1  PHE  43           2HE      PHE  43  -2.915 -13.779   1.707
  185    HE2  PHE  43           1HE      PHE  43  -4.478  -9.786   2.151
  186    HZ   PHE  43           HZ       PHE  43  -4.388 -11.933   0.905
  187    H    GLY  44           H        GLY  44  -2.128  -9.625   8.001
  188    HA2  GLY  44           1HA      GLY  44  -1.245 -10.439  10.556
  189    HA3  GLY  44           2HA      GLY  44   0.169  -9.872   9.676
  190    H    GLU  45           H        GLU  45  -1.171  -8.636  12.023
  191    HA   GLU  45           HA       GLU  45  -2.639  -6.323  11.232
  192    HB2  GLU  45           1HB      GLU  45  -2.601  -7.175  13.536
  193    HB3  GLU  45           2HB      GLU  45  -0.886  -6.785  13.677
  194    HG2  GLU  45           1HG      GLU  45  -2.292  -5.129  14.803
  195    HG3  GLU  45           2HG      GLU  45  -1.372  -4.386  13.507
  196    H    VAL  46           H        VAL  46  -1.995  -4.148  10.976
  197    HA   VAL  46           HA       VAL  46   0.675  -3.956   9.696
  198    HB   VAL  46           HB       VAL  46  -0.132  -2.275   8.308
  199   HG11  VAL  46          1HG1      VAL  46  -0.667  -4.618   7.666
  200   HG12  VAL  46          2HG1      VAL  46  -2.281  -4.435   8.392
  201   HG13  VAL  46          3HG1      VAL  46  -1.817  -3.448   6.998
  202   HG21  VAL  46          3HG2      VAL  46  -2.523  -1.540   8.273
  203   HG22  VAL  46          1HG2      VAL  46  -2.686  -2.244   9.901
  204   HG23  VAL  46          2HG2      VAL  46  -1.554  -0.906   9.612
  205    H    LYS  47           H        LYS  47   2.137  -2.613  10.295
  206    HA   LYS  47           HA       LYS  47   2.014  -1.159  12.844
  207    HB2  LYS  47           1HB      LYS  47   3.907  -2.577  12.133
  208    HB3  LYS  47           2HB      LYS  47   4.198  -1.528  10.742
  209    HG2  LYS  47           1HG      LYS  47   4.739   0.353  12.239
  210    HG3  LYS  47           2HG      LYS  47   4.360  -0.638  13.651
  211    HD2  LYS  47           1HD      LYS  47   6.607  -1.148  11.650
  212    HD3  LYS  47           2HD      LYS  47   6.787  -0.431  13.258
  213    HE2  LYS  47           1HE      LYS  47   5.857  -2.553  14.258
  214    HE3  LYS  47           2HE      LYS  47   5.845  -3.267  12.638
  215    HZ1  LYS  47           3HZ      LYS  47   7.853  -3.862  13.844
  216    HZ2  LYS  47           1HZ      LYS  47   8.252  -2.952  12.547
  217    HZ3  LYS  47           2HZ      LYS  47   8.268  -2.295  14.047
  218    H    GLU  48           H        GLU  48   1.846  -0.428   9.410
  219    HA   GLU  48           HA       GLU  48   0.823   2.217   9.882
  220    HB2  GLU  48           1HB      GLU  48   3.302   2.638  10.102
  221    HB3  GLU  48           2HB      GLU  48   3.531   1.981   8.488
  222    HG2  GLU  48           1HG      GLU  48   3.599   4.410   8.471
  223    HG3  GLU  48           2HG      GLU  48   2.241   3.843   7.517
  224    H    CYS  49           H        CYS  49  -0.115   3.105   7.944
  225    HA   CYS  49           HA       CYS  49   0.123   1.600   5.433
  226    HB2  CYS  49           1HB      CYS  49  -2.328   1.284   5.192
  227    HB3  CYS  49           2HB      CYS  49  -1.640   0.326   6.510
  228    HG   CYS  49           HG       CYS  49  -4.155   1.566   6.812
  229    H    LEU  50           H        LEU  50  -0.338   2.746   3.629
  230    HA   LEU  50           HA       LEU  50  -1.025   5.635   3.866
  231    HB2  LEU  50           1HB      LEU  50   1.493   4.365   2.748
  232    HB3  LEU  50           2HB      LEU  50   0.994   5.992   2.328
  233    HG   LEU  50           HG       LEU  50   1.715   5.084   5.142
  234   HD11  LEU  50          1HD1      LEU  50   3.630   5.089   3.578
  235   HD12  LEU  50          2HD1      LEU  50   3.239   6.749   3.076
  236   HD13  LEU  50          3HD1      LEU  50   3.766   6.413   4.742
  237   HD21  LEU  50          3HD2      LEU  50   1.733   7.531   5.629
  238   HD22  LEU  50          1HD2      LEU  50   1.114   7.858   3.994
  239   HD23  LEU  50          2HD2      LEU  50   0.118   6.982   5.180
  240    H    VAL  51           H        VAL  51  -1.976   6.488   2.110
  241    HA   VAL  51           HA       VAL  51  -1.777   5.095  -0.535
  242    HB   VAL  51           HB       VAL  51  -4.320   6.201   0.723
  243   HG11  VAL  51          1HG1      VAL  51  -4.185   7.089  -1.584
  244   HG12  VAL  51          2HG1      VAL  51  -3.856   5.458  -2.203
  245   HG13  VAL  51          3HG1      VAL  51  -5.424   5.846  -1.456
  246   HG21  VAL  51          3HG2      VAL  51  -5.232   3.985   0.058
  247   HG22  VAL  51          1HG2      VAL  51  -3.642   3.515  -0.568
  248   HG23  VAL  51          2HG2      VAL  51  -3.869   3.813   1.167
  249    H    MET  52           H        MET  52  -1.093   6.392  -2.077
  250    HA   MET  52           HA       MET  52  -0.254   9.118  -1.308
  251    HB2  MET  52           1HB      MET  52   0.450   7.266  -3.600
  252    HB3  MET  52           2HB      MET  52   1.147   8.881  -3.377
  253    HG2  MET  52           1HG      MET  52   1.373   6.689  -1.280
  254    HG3  MET  52           2HG      MET  52   2.556   6.980  -2.534
  255    HE1  MET  52           3HE      MET  52   2.290   8.977   1.444
  256    HE2  MET  52           1HE      MET  52   0.831   8.365   0.630
  257    HE3  MET  52           2HE      MET  52   2.206   7.274   0.938
  258    H    ARG  53           H        ARG  53  -2.842   9.263  -1.465
  259    HA   ARG  53           HA       ARG  53  -4.005   9.574  -4.025
  260    HB2  ARG  53           1HB      ARG  53  -5.984  10.356  -2.865
  261    HB3  ARG  53           2HB      ARG  53  -5.294   8.960  -2.054
  262    HG2  ARG  53           1HG      ARG  53  -4.283  10.524  -0.343
  263    HG3  ARG  53           2HG      ARG  53  -5.131  11.858  -1.159
  264    HD2  ARG  53           1HD      ARG  53  -7.284  10.523  -0.856
  265    HD3  ARG  53           2HD      ARG  53  -6.366   9.410   0.173
  266    HE   ARG  53           HE       ARG  53  -5.839  11.937   1.214
  267   HH11  ARG  53          1HH1      ARG  53  -8.789  10.025   0.771
  268   HH12  ARG  53          2HH1      ARG  53  -9.586  10.785   2.114
  269   HH21  ARG  53          1HH2      ARG  53  -6.931  12.871   2.933
  270   HH22  ARG  53          2HH2      ARG  53  -8.548  12.368   3.320
  271    H    ASP  54           H        ASP  54  -4.850  11.299  -5.104
  272    HA   ASP  54           HA       ASP  54  -3.267  13.753  -5.204
  273    HB2  ASP  54           1HB      ASP  54  -4.077  12.682  -7.230
  274    HB3  ASP  54           2HB      ASP  54  -5.742  12.768  -6.667
  275    HA   PRO  55           HA       PRO  55  -6.122  15.622  -2.196
  276    HB2  PRO  55           1HB      PRO  55  -4.969  18.084  -1.890
  277    HB3  PRO  55           2HB      PRO  55  -4.265  16.585  -1.209
  278    HG2  PRO  55           1HG      PRO  55  -3.551  17.950  -3.830
  279    HG3  PRO  55           2HG      PRO  55  -2.439  17.407  -2.529
  280    HD2  PRO  55           1HD      PRO  55  -2.915  15.874  -4.714
  281    HD3  PRO  55           2HD      PRO  55  -2.738  15.130  -3.097
  282    H    LEU  56           H        LEU  56  -5.591  16.737  -5.492
  283    HA   LEU  56           HA       LEU  56  -7.552  18.900  -5.375
  284    HB2  LEU  56           1HB      LEU  56  -6.212  17.455  -7.703
  285    HB3  LEU  56           2HB      LEU  56  -7.157  18.919  -7.820
  286    HG   LEU  56           HG       LEU  56  -4.499  18.628  -6.344
  287   HD11  LEU  56          1HD1      LEU  56  -4.302  18.540  -8.802
  288   HD12  LEU  56          2HD1      LEU  56  -5.202  20.067  -8.938
  289   HD13  LEU  56          3HD1      LEU  56  -3.608  20.035  -8.154
  290   HD21  LEU  56          3HD2      LEU  56  -4.563  21.116  -6.164
  291   HD22  LEU  56          1HD2      LEU  56  -6.230  21.105  -6.781
  292   HD23  LEU  56          2HD2      LEU  56  -5.840  20.345  -5.219
  293    H    THR  57           H        THR  57  -7.589  15.530  -6.309
  294    HA   THR  57           HA       THR  57 -10.498  15.661  -7.063
  295    HB   THR  57           HB       THR  57 -10.030  13.847  -8.635
  296    HG1  THR  57           1HG      THR  57  -7.272  14.234  -8.186
  297   HG21  THR  57          3HG2      THR  57  -8.723  15.019 -10.307
  298   HG22  THR  57          1HG2      THR  57  -9.779  16.175  -9.476
  299   HG23  THR  57          2HG2      THR  57  -8.045  16.121  -9.091
  300    H    LYS  58           H        LYS  58  -8.319  14.233  -4.879
  301    HA   LYS  58           HA       LYS  58  -8.416  12.684  -3.298
  302    HB2  LYS  58           1HB      LYS  58 -11.408  12.930  -3.732
  303    HB3  LYS  58           2HB      LYS  58 -10.717  11.823  -2.565
  304    HG2  LYS  58           1HG      LYS  58 -11.354  13.848  -1.473
  305    HG3  LYS  58           2HG      LYS  58  -9.612  13.623  -1.362
  306    HD2  LYS  58           1HD      LYS  58  -9.228  15.378  -3.011
  307    HD3  LYS  58           2HD      LYS  58 -10.973  15.498  -3.348
  308    HE2  LYS  58           1HE      LYS  58 -11.360  16.225  -1.007
  309    HE3  LYS  58           2HE      LYS  58  -9.633  16.060  -0.661
  310    HZ1  LYS  58           3HZ      LYS  58 -10.208  18.356  -1.155
  311    HZ2  LYS  58           1HZ      LYS  58  -9.198  17.790  -2.312
  312    HZ3  LYS  58           2HZ      LYS  58 -10.799  17.956  -2.625
  313    H    ARG  59           H        ARG  59  -8.527  11.898  -6.367
  314    HA   ARG  59           HA       ARG  59  -9.028   9.078  -6.497
  315    HB2  ARG  59           1HB      ARG  59  -6.886  10.803  -7.842
  316    HB3  ARG  59           2HB      ARG  59  -7.187   9.123  -8.251
  317    HG2  ARG  59           1HG      ARG  59  -9.477   9.617  -8.962
  318    HG3  ARG  59           2HG      ARG  59  -9.298  11.315  -8.514
  319    HD2  ARG  59           1HD      ARG  59  -7.629   9.859 -10.603
  320    HD3  ARG  59           2HD      ARG  59  -9.000  10.927 -10.956
  321    HE   ARG  59           HE       ARG  59  -7.428  12.546  -9.461
  322   HH11  ARG  59          1HH1      ARG  59  -6.680  10.679 -12.365
  323   HH12  ARG  59          2HH1      ARG  59  -5.374  11.735 -12.820
  324   HH21  ARG  59          1HH2      ARG  59  -5.686  13.814 -10.026
  325   HH22  ARG  59          2HH2      ARG  59  -4.846  13.518 -11.526
  326    H    SER  60           H        SER  60  -7.957   7.379  -5.526
  327    HA   SER  60           HA       SER  60  -5.794   7.599  -3.712
  328    HB2  SER  60           1HB      SER  60  -5.717   5.253  -3.721
  329    HB3  SER  60           2HB      SER  60  -7.400   5.647  -4.112
  330    HG   SER  60           HG       SER  60  -6.833   4.183  -5.625
  331    H    ARG  61           H        ARG  61  -5.668   7.750  -7.126
  332    HA   ARG  61           HA       ARG  61  -4.118   7.987  -8.667
  333    HB2  ARG  61           1HB      ARG  61  -2.863   9.143  -6.476
  334    HB3  ARG  61           2HB      ARG  61  -1.676   7.958  -6.951
  335    HG2  ARG  61           1HG      ARG  61  -2.681   9.363  -9.331
  336    HG3  ARG  61           2HG      ARG  61  -2.306  10.532  -8.086
  337    HD2  ARG  61           1HD      ARG  61  -0.352  10.178  -9.511
  338    HD3  ARG  61           2HD      ARG  61  -0.008   9.593  -7.872
  339    HE   ARG  61           HE       ARG  61  -1.060   7.443  -9.410
  340   HH11  ARG  61          1HH1      ARG  61   2.018   9.227  -9.219
  341   HH12  ARG  61          2HH1      ARG  61   2.899   7.836  -9.800
  342   HH21  ARG  61          1HH2      ARG  61   0.138   5.811 -10.173
  343   HH22  ARG  61          2HH2      ARG  61   1.888   5.961 -10.317
  344    H    GLY  62           H        GLY  62  -4.637   5.306  -7.072
  345    HA2  GLY  62           1HA      GLY  62  -4.539   3.175  -7.942
  346    HA3  GLY  62           2HA      GLY  62  -3.283   3.681  -9.094
  347    H    PHE  63           H        PHE  63  -2.402   4.518  -5.852
  348    HA   PHE  63           HA       PHE  63  -1.342   1.927  -5.175
  349    HB2  PHE  63           1HB      PHE  63   0.929   2.181  -5.542
  350    HB3  PHE  63           2HB      PHE  63   0.227   2.772  -7.018
  351    HD1  PHE  63           2HD      PHE  63  -0.111   5.434  -7.158
  352    HD2  PHE  63           1HD      PHE  63   2.443   3.446  -4.308
  353    HE1  PHE  63           2HE      PHE  63   1.088   7.569  -6.733
  354    HE2  PHE  63           1HE      PHE  63   3.714   5.546  -3.995
  355    HZ   PHE  63           HZ       PHE  63   3.028   7.605  -5.139
  356    H    GLY  64           H        GLY  64  -0.029   1.819  -3.330
  357    HA2  GLY  64           1HA      GLY  64   0.311   4.122  -1.535
  358    HA3  GLY  64           2HA      GLY  64  -0.843   2.918  -0.985
  359    H    PHE  65           H        PHE  65   0.562   2.614   0.810
  360    HA   PHE  65           HA       PHE  65   2.669   0.584   0.401
  361    HB2  PHE  65           1HB      PHE  65   3.125   3.276   1.745
  362    HB3  PHE  65           2HB      PHE  65   4.119   1.882   2.067
  363    HD1  PHE  65           1HD      PHE  65   3.256   4.446  -0.511
  364    HD2  PHE  65           2HD      PHE  65   5.735   1.045   0.506
  365    HE1  PHE  65           1HE      PHE  65   4.854   5.062  -2.271
  366    HE2  PHE  65           2HE      PHE  65   7.308   1.666  -1.296
  367    HZ   PHE  65           HZ       PHE  65   6.874   3.700  -2.684
  368    H    VAL  66           H        VAL  66   3.000  -0.728   2.211
  369    HA   VAL  66           HA       VAL  66   1.492  -0.136   4.718
  370    HB   VAL  66           HB       VAL  66   1.198  -2.724   3.140
  371   HG11  VAL  66          1HG1      VAL  66   1.427  -3.296   5.542
  372   HG12  VAL  66          2HG1      VAL  66   0.196  -2.080   5.949
  373   HG13  VAL  66          3HG1      VAL  66  -0.236  -3.520   5.003
  374   HG21  VAL  66          3HG2      VAL  66  -1.225  -2.218   3.269
  375   HG22  VAL  66          1HG2      VAL  66  -0.873  -0.696   4.111
  376   HG23  VAL  66          2HG2      VAL  66  -0.360  -0.934   2.431
  377    H    THR  67           H        THR  67   2.540  -0.632   6.493
  378    HA   THR  67           HA       THR  67   5.057  -2.273   6.411
  379    HB   THR  67           HB       THR  67   4.339  -0.208   8.525
  380    HG1  THR  67           1HG      THR  67   4.628   0.824   6.519
  381   HG21  THR  67          3HG2      THR  67   6.724  -0.330   9.052
  382   HG22  THR  67          1HG2      THR  67   6.032  -1.962   9.131
  383   HG23  THR  67          2HG2      THR  67   6.997  -1.476   7.724
  384    H    PHE  68           H        PHE  68   5.052  -4.051   7.734
  385    HA   PHE  68           HA       PHE  68   2.489  -4.693   9.119
  386    HB2  PHE  68           1HB      PHE  68   4.695  -6.416   7.973
  387    HB3  PHE  68           2HB      PHE  68   3.390  -7.042   8.966
  388    HD1  PHE  68           1HD      PHE  68   4.103  -5.326   5.719
  389    HD2  PHE  68           2HD      PHE  68   1.197  -7.431   8.113
  390    HE1  PHE  68           1HE      PHE  68   2.627  -5.552   3.737
  391    HE2  PHE  68           2HE      PHE  68  -0.271  -7.659   6.132
  392    HZ   PHE  68           HZ       PHE  68   0.445  -6.718   3.937
  393    H    MET  69           H        MET  69   2.435  -5.686  11.162
  394    HA   MET  69           HA       MET  69   4.386  -4.836  13.123
  395    HB2  MET  69           1HB      MET  69   2.100  -6.838  13.239
  396    HB3  MET  69           2HB      MET  69   3.068  -6.368  14.635
  397    HG2  MET  69           1HG      MET  69   1.412  -4.440  12.963
  398    HG3  MET  69           2HG      MET  69   0.927  -5.160  14.494
  399    HE1  MET  69           3HE      MET  69   1.344  -1.568  15.704
  400    HE2  MET  69           1HE      MET  69   0.529  -2.262  14.285
  401    HE3  MET  69           2HE      MET  69   0.418  -3.075  15.859
  402    H    ASP  70           H        ASP  70   4.310  -7.590  11.032
  403    HA   ASP  70           HA       ASP  70   6.900  -8.475  12.013
  404    HB2  ASP  70           1HB      ASP  70   5.125  -9.710  13.433
  405    HB3  ASP  70           2HB      ASP  70   4.679 -10.541  11.938
  406    H    GLN  71           H        GLN  71   7.951  -9.919  10.556
  407    HA   GLN  71           HA       GLN  71   7.470  -9.452   7.773
  408    HB2  GLN  71           1HB      GLN  71   9.668  -9.886   8.937
  409    HB3  GLN  71           2HB      GLN  71   9.165 -11.549   9.181
  410    HG2  GLN  71           1HG      GLN  71  10.708 -11.371   7.285
  411    HG3  GLN  71           2HG      GLN  71   9.141 -11.933   6.741
  412   HE21  GLN  71          2HE2      GLN  71  10.112 -11.232   4.583
  413   HE22  GLN  71          1HE2      GLN  71   9.909  -9.543   4.141
  414    H    ALA  72           H        ALA  72   6.343 -11.985   9.960
  415    HA   ALA  72           HA       ALA  72   5.746 -14.016   8.092
  416    HB1  ALA  72           1HB      ALA  72   5.692 -14.293  10.545
  417    HB2  ALA  72           2HB      ALA  72   4.258 -13.239  10.639
  418    HB3  ALA  72           3HB      ALA  72   4.161 -14.807   9.806
  419    H    GLY  73           H        GLY  73   3.987 -10.983   8.603
  420    HA2  GLY  73           1HA      GLY  73   1.694 -11.848   6.966
  421    HA3  GLY  73           2HA      GLY  73   2.027 -10.195   7.529
  422    H    VAL  74           H        VAL  74   4.675 -10.007   6.487
  423    HA   VAL  74           HA       VAL  74   4.212  -9.165   3.775
  424    HB   VAL  74           HB       VAL  74   6.815  -9.698   5.261
  425   HG11  VAL  74          1HG1      VAL  74   7.348  -9.898   2.908
  426   HG12  VAL  74          2HG1      VAL  74   6.446  -8.417   2.527
  427   HG13  VAL  74          3HG1      VAL  74   7.930  -8.339   3.493
  428   HG21  VAL  74          3HG2      VAL  74   6.968  -7.253   5.410
  429   HG22  VAL  74          1HG2      VAL  74   5.410  -7.093   4.575
  430   HG23  VAL  74          2HG2      VAL  74   5.498  -7.838   6.189
  431    H    ASP  75           H        ASP  75   5.866 -12.055   5.154
  432    HA   ASP  75           HA       ASP  75   6.612 -13.380   2.823
  433    HB2  ASP  75           1HB      ASP  75   7.153 -14.006   5.194
  434    HB3  ASP  75           2HB      ASP  75   5.515 -14.605   5.392
  435    H    LYS  76           H        LYS  76   3.431 -13.639   4.497
  436    HA   LYS  76           HA       LYS  76   2.308 -15.541   2.672
  437    HB2  LYS  76           1HB      LYS  76   1.010 -13.483   4.494
  438    HB3  LYS  76           2HB      LYS  76   0.144 -14.785   3.646
  439    HG2  LYS  76           1HG      LYS  76   1.294 -16.500   4.858
  440    HG3  LYS  76           2HG      LYS  76   2.405 -15.335   5.597
  441    HD2  LYS  76           1HD      LYS  76   0.382 -14.174   6.610
  442    HD3  LYS  76           2HD      LYS  76  -0.629 -15.500   6.021
  443    HE2  LYS  76           1HE      LYS  76   1.741 -15.743   7.922
  444    HE3  LYS  76           2HE      LYS  76   0.045 -15.657   8.420
  445    HZ1  LYS  76           3HZ      LYS  76   0.800 -17.952   8.345
  446    HZ2  LYS  76           1HZ      LYS  76  -0.351 -17.734   7.208
  447    HZ3  LYS  76           2HZ      LYS  76   1.225 -17.829   6.775
  448    H    VAL  77           H        VAL  77   2.344 -11.987   2.583
  449    HA   VAL  77           HA       VAL  77   0.419 -11.788   0.433
  450    HB   VAL  77           HB       VAL  77   2.449  -9.771   1.435
  451   HG11  VAL  77          1HG1      VAL  77   1.785  -9.125  -0.861
  452   HG12  VAL  77          2HG1      VAL  77   0.074  -9.312  -0.427
  453   HG13  VAL  77          3HG1      VAL  77   1.061  -8.043   0.328
  454   HG21  VAL  77          3HG2      VAL  77   0.528  -8.759   2.590
  455   HG22  VAL  77          1HG2      VAL  77  -0.590  -9.918   1.840
  456   HG23  VAL  77          2HG2      VAL  77   0.574 -10.466   3.042
  457    H    LEU  78           H        LEU  78   3.965 -12.171   0.513
  458    HA   LEU  78           HA       LEU  78   4.303 -11.842  -2.376
  459    HB2  LEU  78           1HB      LEU  78   6.039 -13.207  -0.287
  460    HB3  LEU  78           2HB      LEU  78   6.559 -12.717  -1.895
  461    HG   LEU  78           HG       LEU  78   5.585 -10.737   0.217
  462   HD11  LEU  78          1HD1      LEU  78   7.467 -12.008   1.033
  463   HD12  LEU  78          2HD1      LEU  78   8.380 -11.712  -0.463
  464   HD13  LEU  78          3HD1      LEU  78   8.000 -10.354   0.632
  465   HD21  LEU  78          3HD2      LEU  78   6.777  -9.085  -1.163
  466   HD22  LEU  78          1HD2      LEU  78   7.108 -10.337  -2.385
  467   HD23  LEU  78          2HD2      LEU  78   5.432  -9.837  -2.028
  468    H    ALA  79           H        ALA  79   3.957 -14.594  -0.142
  469    HA   ALA  79           HA       ALA  79   4.441 -16.609  -2.055
  470    HB1  ALA  79           1HB      ALA  79   4.644 -16.909   0.381
  471    HB2  ALA  79           2HB      ALA  79   2.881 -16.742   0.563
  472    HB3  ALA  79           3HB      ALA  79   3.561 -18.129  -0.311
  473    H    GLN  80           H        GLN  80   1.469 -14.843  -1.468
  474    HA   GLN  80           HA       GLN  80  -0.255 -16.773  -2.871
  475    HB2  GLN  80           1HB      GLN  80  -1.052 -15.539  -0.921
  476    HB3  GLN  80           2HB      GLN  80  -0.794 -14.002  -1.747
  477    HG2  GLN  80           1HG      GLN  80  -2.505 -14.529  -3.394
  478    HG3  GLN  80           2HG      GLN  80  -2.658 -16.183  -2.797
  479   HE21  GLN  80          2HE2      GLN  80  -4.371 -13.417  -2.849
  480   HE22  GLN  80          1HE2      GLN  80  -5.192 -13.577  -1.293
  481    H    SER  81           H        SER  81  -1.164 -16.555  -4.905
  482    HA   SER  81           HA       SER  81   0.599 -15.375  -6.852
  483    HB2  SER  81           1HB      SER  81  -1.080 -16.475  -8.401
  484    HB3  SER  81           2HB      SER  81  -0.281 -17.545  -7.230
  485    HG   SER  81           HG       SER  81  -2.565 -17.915  -7.358
  486    H    ARG  82           H        ARG  82  -2.473 -14.390  -5.574
  487    HA   ARG  82           HA       ARG  82  -2.551 -11.954  -7.241
  488    HB2  ARG  82           1HB      ARG  82  -3.645 -13.650  -8.661
  489    HB3  ARG  82           2HB      ARG  82  -4.777 -14.040  -7.357
  490    HG2  ARG  82           1HG      ARG  82  -5.739 -11.787  -7.465
  491    HG3  ARG  82           2HG      ARG  82  -4.514 -11.287  -8.645
  492    HD2  ARG  82           1HD      ARG  82  -5.453 -12.840 -10.295
  493    HD3  ARG  82           2HD      ARG  82  -6.622 -13.440  -9.114
  494    HE   ARG  82           HE       ARG  82  -6.634 -10.826 -10.506
  495   HH11  ARG  82          1HH1      ARG  82  -8.289 -12.767  -7.993
  496   HH12  ARG  82          2HH1      ARG  82  -9.580 -11.570  -7.914
  497   HH21  ARG  82          1HH2      ARG  82  -8.340  -9.381 -10.171
  498   HH22  ARG  82          2HH2      ARG  82  -9.639  -9.871  -9.077
  499    H    HIS  83           H        HIS  83  -3.826 -10.319  -6.457
  500    HA   HIS  83           HA       HIS  83  -5.369 -10.687  -3.943
  501    HB2  HIS  83           1HB      HIS  83  -3.163  -8.659  -4.472
  502    HB3  HIS  83           2HB      HIS  83  -4.304  -8.541  -3.130
  503    HD1  HIS  83           1HD      HIS  83  -4.058 -10.497  -1.206
  504    HD2  HIS  83           2HD      HIS  83  -1.133 -10.363  -4.222
  505    HE1  HIS  83           1HE      HIS  83  -2.093 -11.913  -0.374
  506    H    GLU  84           H        GLU  84  -6.979  -9.016  -3.594
  507    HA   GLU  84           HA       GLU  84  -7.681  -7.255  -5.850
  508    HB2  GLU  84           1HB      GLU  84  -8.508  -9.559  -6.434
  509    HB3  GLU  84           2HB      GLU  84  -9.499  -9.531  -4.973
  510    HG2  GLU  84           1HG      GLU  84 -10.613  -7.426  -5.891
  511    HG3  GLU  84           2HG      GLU  84  -9.709  -7.683  -7.387
  512    H    LEU  85           H        LEU  85  -8.667  -5.480  -5.148
  513    HA   LEU  85           HA       LEU  85 -10.221  -5.403  -2.640
  514    HB2  LEU  85           1HB      LEU  85  -7.918  -5.080  -1.887
  515    HB3  LEU  85           2HB      LEU  85  -7.650  -3.848  -3.128
  516    HG   LEU  85           HG       LEU  85  -9.254  -2.341  -1.989
  517   HD11  LEU  85          1HD1      LEU  85 -10.781  -3.875  -0.883
  518   HD12  LEU  85          2HD1      LEU  85  -9.456  -4.616   0.033
  519   HD13  LEU  85          3HD1      LEU  85  -9.948  -2.948   0.378
  520   HD21  LEU  85          3HD2      LEU  85  -7.827  -1.869  -0.035
  521   HD22  LEU  85          1HD2      LEU  85  -7.077  -3.473  -0.173
  522   HD23  LEU  85          2HD2      LEU  85  -6.846  -2.268  -1.457
  523    H    ASP  86           H        ASP  86 -11.929  -4.117  -2.902
  524    HA   ASP  86           HA       ASP  86 -13.549  -2.964  -3.940
  525    HB2  ASP  86           1HB      ASP  86 -12.033  -1.081  -3.283
  526    HB3  ASP  86           2HB      ASP  86 -11.380  -1.080  -4.919
  527    H    SER  87           H        SER  87 -12.736  -5.201  -5.287
  528    HA   SER  87           HA       SER  87 -13.026  -6.375  -7.205
  529    HB2  SER  87           1HB      SER  87 -14.482  -3.929  -8.254
  530    HB3  SER  87           2HB      SER  87 -14.566  -5.576  -8.887
  531    HG   SER  87           HG       SER  87 -16.333  -5.080  -7.479
  532    H    LYS  88           H        LYS  88 -10.647  -4.444  -6.979
  533    HA   LYS  88           HA       LYS  88  -9.751  -4.458  -9.844
  534    HB2  LYS  88           1HB      LYS  88  -9.463  -2.511  -7.557
  535    HB3  LYS  88           2HB      LYS  88  -8.078  -2.702  -8.606
  536    HG2  LYS  88           1HG      LYS  88 -10.779  -2.232  -9.893
  537    HG3  LYS  88           2HG      LYS  88  -9.960  -0.890  -9.086
  538    HD2  LYS  88           1HD      LYS  88  -7.940  -1.236 -10.424
  539    HD3  LYS  88           2HD      LYS  88  -8.714  -2.573 -11.300
  540    HE2  LYS  88           1HE      LYS  88 -10.340  -1.100 -12.294
  541    HE3  LYS  88           2HE      LYS  88  -9.939   0.214 -11.190
  542    HZ1  LYS  88           3HZ      LYS  88  -8.894   0.607 -13.321
  543    HZ2  LYS  88           1HZ      LYS  88  -7.698   0.281 -12.242
  544    HZ3  LYS  88           2HZ      LYS  88  -8.168  -0.857 -13.320
  545    H    THR  89           H        THR  89  -8.026  -5.714 -10.298
  546    HA   THR  89           HA       THR  89  -6.739  -7.431  -8.364
  547    HB   THR  89           HB       THR  89  -5.759  -6.663 -11.147
  548    HG1  THR  89           1HG      THR  89  -7.061  -8.211 -11.911
  549   HG21  THR  89          3HG2      THR  89  -4.802  -8.988 -11.056
  550   HG22  THR  89          1HG2      THR  89  -4.096  -7.911  -9.842
  551   HG23  THR  89          2HG2      THR  89  -5.320  -9.098  -9.355
  552    H    ILE  90           H        ILE  90  -5.154  -6.882  -6.974
  553    HA   ILE  90           HA       ILE  90  -3.547  -4.409  -7.535
  554    HB   ILE  90           HB       ILE  90  -3.232  -4.103  -5.184
  555   HG12  ILE  90          1HG1      ILE  90  -5.028  -6.483  -4.653
  556   HG13  ILE  90          2HG1      ILE  90  -3.274  -6.416  -4.414
  557   HG21  ILE  90          1HG2      ILE  90  -5.249  -3.149  -6.372
  558   HG22  ILE  90          2HG2      ILE  90  -6.204  -4.518  -5.773
  559   HG23  ILE  90          3HG2      ILE  90  -5.523  -3.369  -4.637
  560   HD11  ILE  90          3HD1      ILE  90  -4.245  -6.050  -2.284
  561   HD12  ILE  90          1HD1      ILE  90  -3.635  -4.469  -2.837
  562   HD13  ILE  90          2HD1      ILE  90  -5.374  -4.841  -2.913
  563    H    ASP  91           H        ASP  91  -1.380  -4.352  -6.903
  564    HA   ASP  91           HA       ASP  91   0.036  -6.993  -7.025
  565    HB2  ASP  91           1HB      ASP  91   0.020  -5.896  -9.200
  566    HB3  ASP  91           2HB      ASP  91   0.672  -4.420  -8.486
  567    HA   PRO  92           HA       PRO  92   1.794  -4.753  -3.451
  568    HB2  PRO  92           1HB      PRO  92   1.326  -6.601  -1.503
  569    HB3  PRO  92           2HB      PRO  92   0.142  -5.380  -2.027
  570    HG2  PRO  92           1HG      PRO  92   0.127  -8.300  -2.615
  571    HG3  PRO  92           2HG      PRO  92  -1.235  -7.122  -2.553
  572    HD2  PRO  92           1HD      PRO  92   0.150  -8.094  -4.869
  573    HD3  PRO  92           2HD      PRO  92  -1.135  -6.865  -4.767
  574    H    LYS  93           H        LYS  93   3.898  -4.867  -3.025
  575    HA   LYS  93           HA       LYS  93   5.478  -7.347  -3.295
  576    HB2  LYS  93           1HB      LYS  93   6.720  -6.549  -5.221
  577    HB3  LYS  93           2HB      LYS  93   5.003  -6.528  -5.594
  578    HG2  LYS  93           1HG      LYS  93   5.298  -3.963  -4.686
  579    HG3  LYS  93           2HG      LYS  93   6.929  -4.247  -5.278
  580    HD2  LYS  93           1HD      LYS  93   4.327  -4.504  -6.848
  581    HD3  LYS  93           2HD      LYS  93   5.504  -3.194  -6.984
  582    HE2  LYS  93           1HE      LYS  93   7.204  -4.776  -7.840
  583    HE3  LYS  93           2HE      LYS  93   6.053  -6.113  -7.675
  584    HZ1  LYS  93           3HZ      LYS  93   6.085  -5.261  -9.942
  585    HZ2  LYS  93           1HZ      LYS  93   4.610  -5.012  -9.274
  586    HZ3  LYS  93           2HZ      LYS  93   5.654  -3.761  -9.439
  587    H    VAL  94           H        VAL  94   7.872  -6.883  -2.972
  588    HA   VAL  94           HA       VAL  94   8.153  -5.665  -0.414
  589    HB   VAL  94           HB       VAL  94  10.364  -6.436  -2.365
  590   HG11  VAL  94          1HG1      VAL  94  11.293  -4.975  -0.634
  591   HG12  VAL  94          2HG1      VAL  94  10.463  -5.898   0.641
  592   HG13  VAL  94          3HG1      VAL  94  11.777  -6.635  -0.302
  593   HG21  VAL  94          3HG2      VAL  94  10.492  -8.514  -0.970
  594   HG22  VAL  94          1HG2      VAL  94   9.033  -7.993  -0.101
  595   HG23  VAL  94          2HG2      VAL  94   8.966  -8.371  -1.838
  596    H    ALA  95           H        ALA  95   8.710  -3.676   0.288
  597    HA   ALA  95           HA       ALA  95   8.827  -1.455  -1.613
  598    HB1  ALA  95           1HB      ALA  95   7.574  -1.278   0.505
  599    HB2  ALA  95           2HB      ALA  95   9.071  -1.552   1.425
  600    HB3  ALA  95           3HB      ALA  95   8.882  -0.084   0.445
  601    H    PHE  96           H        PHE  96  10.612  -0.339  -2.281
  602    HA   PHE  96           HA       PHE  96  13.227  -1.306  -2.066
  603    HB2  PHE  96           1HB      PHE  96  12.369   1.581  -2.468
  604    HB3  PHE  96           2HB      PHE  96  13.937   0.912  -2.884
  605    HD1  PHE  96           1HD      PHE  96  12.736  -1.759  -4.169
  606    HD2  PHE  96           2HD      PHE  96  11.951   2.459  -4.662
  607    HE1  PHE  96           1HE      PHE  96  11.939  -2.170  -6.469
  608    HE2  PHE  96           2HE      PHE  96  11.158   2.036  -6.969
  609    HZ   PHE  96           HZ       PHE  96  11.142  -0.281  -7.877
  610    HA   PRO  97           HA       PRO  97  14.225  -0.446   2.124
  611    HB2  PRO  97           1HB      PRO  97  16.956  -0.688   2.158
  612    HB3  PRO  97           2HB      PRO  97  15.850  -2.070   1.886
  613    HG2  PRO  97           1HG      PRO  97  17.270  -0.387  -0.208
  614    HG3  PRO  97           2HG      PRO  97  17.220  -2.177  -0.075
  615    HD2  PRO  97           1HD      PRO  97  15.527  -0.843  -1.720
  616    HD3  PRO  97           2HD      PRO  97  14.960  -2.258  -0.780
  617    H    ARG  98           H        ARG  98  15.082   1.081   3.586
  618    HA   ARG  98           HA       ARG  98  15.673   3.742   2.372
  619    HB2  ARG  98           1HB      ARG  98  14.470   3.299   5.111
  620    HB3  ARG  98           2HB      ARG  98  14.468   4.762   4.135
  621    HG2  ARG  98           1HG      ARG  98  12.797   2.258   3.776
  622    HG3  ARG  98           2HG      ARG  98  12.250   3.879   4.167
  623    HD2  ARG  98           1HD      ARG  98  13.350   2.938   1.492
  624    HD3  ARG  98           2HD      ARG  98  11.682   3.276   1.887
  625    HE   ARG  98           HE       ARG  98  12.305   5.656   2.215
  626   HH11  ARG  98          1HH1      ARG  98  14.611   3.774   0.248
  627   HH12  ARG  98          2HH1      ARG  98  15.073   5.192  -0.644
  628   HH21  ARG  98          1HH2      ARG  98  12.987   7.345   1.133
  629   HH22  ARG  98          2HH2      ARG  98  14.186   7.223  -0.139
  630    H    ARG  99           H        ARG  99  17.494   1.518   3.421
  631    HA   ARG  99           HA       ARG  99  19.588   3.078   4.715
  632    HB2  ARG  99           1HB      ARG  99  18.090   2.659   6.588
  633    HB3  ARG  99           2HB      ARG  99  18.163   0.914   6.278
  634    HG2  ARG  99           1HG      ARG  99  20.518   0.852   6.771
  635    HG3  ARG  99           2HG      ARG  99  20.638   2.629   6.790
  636    HD2  ARG  99           1HD      ARG  99  19.289   2.772   8.799
  637    HD3  ARG  99           2HD      ARG  99  18.832   1.081   8.631
  638    HE   ARG  99           HE       ARG  99  20.803   0.414   9.645
  639   HH11  ARG  99          1HH1      ARG  99  21.184   3.845   8.851
  640   HH12  ARG  99          2HH1      ARG  99  22.661   3.979   9.756
  641   HH21  ARG  99          1HH2      ARG  99  22.702   0.662  10.795
  642   HH22  ARG  99          2HH2      ARG  99  23.504   2.203  10.841
  643    H    ALA 100           H        ALA 100  21.576   2.040   4.500
  644    HA   ALA 100           HA       ALA 100  21.815  -0.772   3.697
  645    HB1  ALA 100           1HB      ALA 100  21.344   0.353   1.540
  646    HB2  ALA 100           2HB      ALA 100  22.672   1.498   1.836
  647    HB3  ALA 100           3HB      ALA 100  23.016  -0.228   1.593
  648    H    GLN 101           H        GLN 101  24.031  -1.515   3.686
  649    HA   GLN 101           HA       GLN 101  26.076   0.158   5.011
  650    HB2  GLN 101           1HB      GLN 101  24.908  -2.446   6.112
  651    HB3  GLN 101           2HB      GLN 101  26.449  -1.771   6.630
  652    HG2  GLN 101           1HG      GLN 101  25.274   0.317   7.370
  653    HG3  GLN 101           2HG      GLN 101  23.729  -0.434   6.956
  654   HE21  GLN 101          2HE2      GLN 101  26.158  -0.160   9.438
  655   HE22  GLN 101          1HE2      GLN 101  25.456  -1.368  10.504
  656    HA   PRO 102           HA       PRO 102  28.594  -2.157   2.190
  657    HB2  PRO 102           1HB      PRO 102  31.098  -1.938   3.254
  658    HB3  PRO 102           2HB      PRO 102  30.202  -0.538   2.588
  659    HG2  PRO 102           1HG      PRO 102  30.402  -1.406   5.492
  660    HG3  PRO 102           2HG      PRO 102  30.675   0.229   4.807
  661    HD2  PRO 102           1HD      PRO 102  28.291  -0.484   5.904
  662    HD3  PRO 102           2HD      PRO 102  28.366   0.571   4.461
  663    H    LYS 103           H        LYS 103  29.632  -4.124   1.833
  664    HA   LYS 103           HA       LYS 103  30.240  -6.047   3.938
  665    HB2  LYS 103           1HB      LYS 103  27.746  -6.139   3.804
  666    HB3  LYS 103           2HB      LYS 103  27.867  -6.565   2.092
  667    HG2  LYS 103           1HG      LYS 103  29.137  -8.622   2.704
  668    HG3  LYS 103           2HG      LYS 103  29.013  -8.192   4.415
  669    HD2  LYS 103           1HD      LYS 103  26.659  -8.762   2.555
  670    HD3  LYS 103           2HD      LYS 103  27.376  -9.919   3.686
  671    HE2  LYS 103           1HE      LYS 103  26.817  -8.402   5.586
  672    HE3  LYS 103           2HE      LYS 103  26.045  -7.283   4.455
  673    HZ1  LYS 103           3HZ      LYS 103  24.418  -8.761   5.479
  674    HZ2  LYS 103           1HZ      LYS 103  24.475  -9.057   3.876
  675    HZ3  LYS 103           2HZ      LYS 103  25.186 -10.089   4.925
  676    H5'    G 104           H5'        G 104  -5.363  -0.437 -13.251
  677   H5''    G 104          H5"         G 104  -3.981  -0.267 -12.170
  678    H4'    G 104           H4'        G 104  -4.054   1.401 -14.020
  679    H3'    G 104           H3'        G 104  -3.267   1.858 -11.401
  680    H2'    G 104           H2'        G 104  -5.139   2.907 -10.585
  681   HO2'    G 104          HO2         G 104  -3.559   4.803 -11.883
  682    H1'    G 104           H1'        G 104  -5.807   4.296 -13.168
  683    H8     G 104           8H         G 104  -7.170   2.308 -10.153
  684    H1     G 104           1H         G 104 -11.574   5.546 -13.555
  685    H21    G 104           1H2        G 104 -10.595   6.343 -15.424
  686    H22    G 104           2H2        G 104  -8.891   6.030 -15.710
  687   HO5'    G 104          H5T         G 104  -5.687  -0.504 -10.799
  688    H5'    U 105           H5'        U 105  -1.530   2.736 -10.159
  689   H5''    U 105          H5"         U 105  -0.577   3.948 -11.018
  690    H4'    U 105           H4'        U 105   0.587   3.170  -9.043
  691    H3'    U 105           H3'        U 105   1.816   3.432 -11.463
  692    H2'    U 105           H2'        U 105   1.609   1.164 -12.091
  693   HO2'    U 105          HO2         U 105   4.082   1.836 -11.337
  694    H1'    U 105           H1'        U 105   2.395   0.328  -9.301
  695    H3     U 105           3H         U 105   2.178  -4.039 -10.481
  696    H5     U 105           5H         U 105  -1.214  -2.422 -12.327
  697    H6     U 105           6H         U 105  -0.574  -0.223 -11.490
  698    H5'    A 106           H5'        A 106   3.762   4.510  -7.198
  699   H5''    A 106          H5"         A 106   4.004   5.995  -8.107
  700    H4'    A 106           H4'        A 106   5.159   6.302  -6.100
  701    H3'    A 106           H3'        A 106   6.561   6.513  -8.466
  702    H2'    A 106           H2'        A 106   7.452   4.329  -8.418
  703   HO2'    A 106          HO2         A 106   9.248   6.147  -7.243
  704    H1'    A 106           H1'        A 106   8.057   4.618  -5.471
  705    H8     A 106           8H         A 106   6.825   2.137  -8.225
  706    H61    A 106           1H6        A 106   8.993  -2.133  -4.158
  707    H62    A 106           2H6        A 106   8.304  -1.959  -5.774
  708    H2     A 106           2H         A 106   9.512   1.756  -2.384
  709    H5'    G 107           H5'        G 107   8.041   8.882  -3.985
  710   H5''    G 107          H5"         G 107   7.576   7.184  -3.849
  711    H4'    G 107           H4'        G 107   5.893   9.300  -2.477
  712    H3'    G 107           H3'        G 107   8.591   8.247  -1.593
  713    H2'    G 107           H2'        G 107   7.795   8.312   0.624
  714   HO2'    G 107          HO2         G 107   6.650  10.520   0.019
  715    H1'    G 107           H1'        G 107   5.095   7.714  -0.022
  716    H8     G 107           8H         G 107   5.060   5.953   1.841
  717    H1     G 107           1H         G 107  10.570   3.247  -0.128
  718    H21    G 107           1H2        G 107  11.393   4.447  -1.869
  719    H22    G 107           2H2        G 107  10.489   5.826  -2.459
  720    H5'    U 108           H5'        U 108   8.624  10.171   1.381
  721   H5''    U 108          H5"         U 108   9.951  11.316   1.510
  722    H4'    U 108           H4'        U 108  11.364   9.789   2.586
  723    H3'    U 108           H3'        U 108  10.270   7.656   1.145
  724   HO3'    U 108          H3T         U 108  11.798   7.757   3.581
  725    H2'    U 108           H2'        U 108   8.301   7.419   2.423
  726   HO2'    U 108          HO2         U 108  10.335   5.936   3.740
  727    H1'    U 108           H1'        U 108   9.823   8.057   4.944
  728    H3     U 108           3H         U 108   6.085   7.952   7.479
  729    H5     U 108           5H         U 108   4.679   9.564   3.883
  730    H6     U 108           6H         U 108   6.921   9.348   2.945
  Start of MODEL   20
    1    H    CYS  20           1H       CYS  20  11.338  -5.636   6.221
    2    HA   CYS  20           HA       CYS  20   9.138  -6.535   5.852
    3    HB2  CYS  20           1HB      CYS  20   7.248  -5.767   7.262
    4    HB3  CYS  20           2HB      CYS  20   8.432  -6.629   8.224
    5    HG   CYS  20           HG       CYS  20   7.407  -4.591   9.569
    6    H    LYS  21           H        LYS  21   7.108  -4.778   5.542
    7    HA   LYS  21           HA       LYS  21   6.272  -2.911   4.678
    8    HB2  LYS  21           1HB      LYS  21   8.136  -1.558   5.648
    9    HB3  LYS  21           2HB      LYS  21   8.981  -1.692   4.096
   10    HG2  LYS  21           1HG      LYS  21   7.200  -0.541   2.934
   11    HG3  LYS  21           2HG      LYS  21   6.121  -0.672   4.323
   12    HD2  LYS  21           1HD      LYS  21   7.639   0.846   5.614
   13    HD3  LYS  21           2HD      LYS  21   8.635   1.035   4.160
   14    HE2  LYS  21           1HE      LYS  21   6.731   1.922   2.907
   15    HE3  LYS  21           2HE      LYS  21   5.626   1.597   4.255
   16    HZ1  LYS  21           3HZ      LYS  21   6.523   3.946   3.938
   17    HZ2  LYS  21           1HZ      LYS  21   6.493   3.352   5.469
   18    HZ3  LYS  21           2HZ      LYS  21   7.911   3.415   4.608
   19    H    MET  22           H        MET  22   5.363  -2.500   2.823
   20    HA   MET  22           HA       MET  22   6.423  -3.682   0.306
   21    HB2  MET  22           1HB      MET  22   3.724  -4.264   1.608
   22    HB3  MET  22           2HB      MET  22   4.209  -4.760  -0.016
   23    HG2  MET  22           1HG      MET  22   6.157  -6.008   1.038
   24    HG3  MET  22           2HG      MET  22   5.469  -5.618   2.609
   25    HE1  MET  22           3HE      MET  22   3.989  -8.636  -0.503
   26    HE2  MET  22           1HE      MET  22   3.900  -6.905  -0.890
   27    HE3  MET  22           2HE      MET  22   5.467  -7.656  -0.513
   28    H    PHE  23           H        PHE  23   5.793  -2.777  -1.487
   29    HA   PHE  23           HA       PHE  23   4.214  -0.264  -1.587
   30    HB2  PHE  23           1HB      PHE  23   6.269  -0.295  -2.864
   31    HB3  PHE  23           2HB      PHE  23   5.908  -1.875  -3.545
   32    HD1  PHE  23           1HD      PHE  23   4.213  -2.142  -5.345
   33    HD2  PHE  23           2HD      PHE  23   5.189   1.729  -3.758
   34    HE1  PHE  23           1HE      PHE  23   3.106  -1.069  -7.281
   35    HE2  PHE  23           2HE      PHE  23   4.080   2.788  -5.673
   36    HZ   PHE  23           HZ       PHE  23   3.037   1.412  -7.461
   37    H    ILE  24           H        ILE  24   2.172  -0.233  -2.501
   38    HA   ILE  24           HA       ILE  24   0.956  -2.868  -3.296
   39    HB   ILE  24           HB       ILE  24  -0.537  -0.635  -1.901
   40   HG12  ILE  24          1HG1      ILE  24   1.109  -1.246  -0.255
   41   HG13  ILE  24          2HG1      ILE  24  -0.488  -1.795   0.192
   42   HG21  ILE  24          1HG2      ILE  24  -1.825  -2.272  -3.220
   43   HG22  ILE  24          2HG2      ILE  24  -1.127  -3.601  -2.286
   44   HG23  ILE  24          3HG2      ILE  24  -2.172  -2.407  -1.489
   45   HD11  ILE  24          3HD1      ILE  24   1.292  -3.413   0.771
   46   HD12  ILE  24          1HD1      ILE  24   0.086  -4.106  -0.314
   47   HD13  ILE  24          2HD1      ILE  24   1.671  -3.621  -0.939
   48    H    GLY  25           H        GLY  25   0.971  -2.670  -5.509
   49    HA2  GLY  25           1HA      GLY  25   0.091  -0.148  -6.816
   50    HA3  GLY  25           2HA      GLY  25   0.785  -1.584  -7.593
   51    H    GLY  26           H        GLY  26  -1.404  -0.285  -8.665
   52    HA2  GLY  26           1HA      GLY  26  -3.248  -0.996  -9.848
   53    HA3  GLY  26           2HA      GLY  26  -3.090  -2.597  -9.093
   54    H    LEU  27           H        LEU  27  -3.474   0.173  -7.010
   55    HA   LEU  27           HA       LEU  27  -5.914  -0.860  -5.814
   56    HB2  LEU  27           1HB      LEU  27  -4.544   1.849  -5.505
   57    HB3  LEU  27           2HB      LEU  27  -5.830   1.236  -4.488
   58    HG   LEU  27           HG       LEU  27  -3.005   0.110  -4.649
   59   HD11  LEU  27          1HD1      LEU  27  -3.332   2.282  -3.440
   60   HD12  LEU  27          2HD1      LEU  27  -4.538   1.513  -2.411
   61   HD13  LEU  27          3HD1      LEU  27  -2.846   0.963  -2.358
   62   HD21  LEU  27          3HD2      LEU  27  -3.865  -1.253  -2.632
   63   HD22  LEU  27          1HD2      LEU  27  -5.486  -0.947  -3.279
   64   HD23  LEU  27          2HD2      LEU  27  -4.263  -1.784  -4.264
   65    H    SER  28           H        SER  28  -7.828   0.570  -5.451
   66    HA   SER  28           HA       SER  28  -8.860   1.696  -8.001
   67    HB2  SER  28           1HB      SER  28 -10.311   0.189  -6.749
   68    HB3  SER  28           2HB      SER  28 -10.141   1.179  -5.297
   69    HG   SER  28           HG       SER  28 -12.073   1.542  -6.445
   70    H    TRP  29           H        TRP  29  -9.578   3.878  -8.151
   71    HA   TRP  29           HA       TRP  29  -8.281   5.895  -6.531
   72    HB2  TRP  29           1HB      TRP  29 -10.623   6.043  -8.442
   73    HB3  TRP  29           2HB      TRP  29  -9.789   7.431  -7.742
   74    HD1  TRP  29           HD       TRP  29  -6.939   5.493  -8.451
   75    HE1  TRP  29           1HE      TRP  29  -5.997   5.778 -10.801
   76    HE3  TRP  29           3HE      TRP  29 -11.026   7.607 -10.693
   77    HZ2  TRP  29           2HZ      TRP  29  -6.837   6.954 -13.310
   78    HZ3  TRP  29           3HZ      TRP  29 -10.941   8.253 -13.088
   79    HH2  TRP  29           HH       TRP  29  -8.851   7.948 -14.400
   80    H    GLN  30           H        GLN  30 -10.962   3.893  -5.882
   81    HA   GLN  30           HA       GLN  30 -12.078   5.720  -3.807
   82    HB2  GLN  30           1HB      GLN  30 -12.980   2.915  -4.484
   83    HB3  GLN  30           2HB      GLN  30 -13.854   4.147  -3.585
   84    HG2  GLN  30           1HG      GLN  30 -13.960   5.526  -5.709
   85    HG3  GLN  30           2HG      GLN  30 -13.277   4.143  -6.577
   86   HE21  GLN  30          2HE2      GLN  30 -14.592   1.904  -5.818
   87   HE22  GLN  30          1HE2      GLN  30 -16.328   2.129  -6.002
   88    H    THR  31           H        THR  31  -9.538   3.418  -3.981
   89    HA   THR  31           HA       THR  31  -9.942   2.065  -1.461
   90    HB   THR  31           HB       THR  31  -7.372   2.534  -3.037
   91    HG1  THR  31           1HG      THR  31  -9.187   0.341  -2.974
   92   HG21  THR  31          3HG2      THR  31  -6.688   0.384  -1.886
   93   HG22  THR  31          1HG2      THR  31  -6.770   1.785  -0.818
   94   HG23  THR  31          2HG2      THR  31  -8.076   0.576  -0.801
   95    H    THR  32           H        THR  32  -9.153   2.499   0.539
   96    HA   THR  32           HA       THR  32  -7.690   5.052   1.036
   97    HB   THR  32           HB       THR  32  -8.857   5.315   3.136
   98    HG1  THR  32           1HG      THR  32 -10.646   3.853   3.549
   99   HG21  THR  32          3HG2      THR  32 -11.071   5.897   2.400
  100   HG22  THR  32          1HG2      THR  32  -9.967   6.218   1.050
  101   HG23  THR  32          2HG2      THR  32 -10.993   4.770   1.030
  102    H    GLN  33           H        GLN  33  -6.352   4.975   2.979
  103    HA   GLN  33           HA       GLN  33  -4.819   2.529   3.151
  104    HB2  GLN  33           1HB      GLN  33  -3.547   3.777   4.923
  105    HB3  GLN  33           2HB      GLN  33  -3.615   4.444   3.304
  106    HG2  GLN  33           1HG      GLN  33  -5.463   6.027   4.150
  107    HG3  GLN  33           2HG      GLN  33  -4.988   5.512   5.775
  108   HE21  GLN  33          2HE2      GLN  33  -3.462   6.979   6.666
  109   HE22  GLN  33          1HE2      GLN  33  -2.336   7.908   5.692
  110    H    GLU  34           H        GLU  34  -7.498   3.732   5.047
  111    HA   GLU  34           HA       GLU  34  -7.263   1.709   7.138
  112    HB2  GLU  34           1HB      GLU  34  -9.659   3.299   6.130
  113    HB3  GLU  34           2HB      GLU  34  -9.673   2.218   7.531
  114    HG2  GLU  34           1HG      GLU  34  -7.898   3.593   8.608
  115    HG3  GLU  34           2HG      GLU  34  -7.937   4.709   7.241
  116    H    GLY  35           H        GLY  35  -8.782   1.864   3.896
  117    HA2  GLY  35           1HA      GLY  35  -9.996  -0.751   3.935
  118    HA3  GLY  35           2HA      GLY  35  -9.587   0.227   2.504
  119    H    LEU  36           H        LEU  36  -6.719   0.416   2.996
  120    HA   LEU  36           HA       LEU  36  -5.761  -2.159   2.169
  121    HB2  LEU  36           1HB      LEU  36  -4.137   0.055   3.532
  122    HB3  LEU  36           2HB      LEU  36  -3.499  -1.339   2.691
  123    HG   LEU  36           HG       LEU  36  -4.872   1.065   1.482
  124   HD11  LEU  36          1HD1      LEU  36  -2.447   1.205   2.011
  125   HD12  LEU  36          2HD1      LEU  36  -2.159  -0.230   1.003
  126   HD13  LEU  36          3HD1      LEU  36  -2.750   1.264   0.264
  127   HD21  LEU  36          3HD2      LEU  36  -4.582  -0.056  -0.719
  128   HD22  LEU  36          1HD2      LEU  36  -4.209  -1.576   0.122
  129   HD23  LEU  36          2HD2      LEU  36  -5.809  -0.805   0.298
  130    H    ARG  37           H        ARG  37  -5.636  -0.635   5.454
  131    HA   ARG  37           HA       ARG  37  -4.552  -2.927   6.731
  132    HB2  ARG  37           1HB      ARG  37  -4.753  -0.737   7.821
  133    HB3  ARG  37           2HB      ARG  37  -6.517  -0.858   7.817
  134    HG2  ARG  37           1HG      ARG  37  -6.430  -2.817   9.324
  135    HG3  ARG  37           2HG      ARG  37  -4.661  -2.804   9.251
  136    HD2  ARG  37           1HD      ARG  37  -4.747  -0.460  10.197
  137    HD3  ARG  37           2HD      ARG  37  -6.501  -0.659  10.358
  138    HE   ARG  37           HE       ARG  37  -4.766  -2.698  11.670
  139   HH11  ARG  37          1HH1      ARG  37  -6.615   0.288  12.204
  140   HH12  ARG  37          2HH1      ARG  37  -6.845  -0.061  13.891
  141   HH21  ARG  37          1HH2      ARG  37  -5.211  -3.135  13.793
  142   HH22  ARG  37          2HH2      ARG  37  -6.025  -1.952  14.794
  143    H    GLU  38           H        GLU  38  -7.957  -2.190   5.998
  144    HA   GLU  38           HA       GLU  38  -9.126  -4.389   7.252
  145    HB2  GLU  38           1HB      GLU  38 -10.092  -2.282   5.849
  146    HB3  GLU  38           2HB      GLU  38 -10.262  -3.520   4.599
  147    HG2  GLU  38           1HG      GLU  38 -11.485  -4.934   6.283
  148    HG3  GLU  38           2HG      GLU  38 -11.311  -3.610   7.446
  149    H    TYR  39           H        TYR  39  -7.600  -4.267   4.024
  150    HA   TYR  39           HA       TYR  39  -8.261  -7.045   3.368
  151    HB2  TYR  39           1HB      TYR  39  -8.122  -5.209   1.708
  152    HB3  TYR  39           2HB      TYR  39  -6.397  -5.063   2.016
  153    HD1  TYR  39           1HD      TYR  39  -9.038  -7.522   0.984
  154    HD2  TYR  39           2HD      TYR  39  -4.861  -6.465   0.827
  155    HE1  TYR  39           1HE      TYR  39  -8.616  -9.441  -0.533
  156    HE2  TYR  39           2HE      TYR  39  -4.432  -8.370  -0.702
  157    HH   TYR  39           HH       TYR  39  -7.057 -10.656  -1.659
  158    H    PHE  40           H        PHE  40  -5.360  -5.262   4.409
  159    HA   PHE  40           HA       PHE  40  -3.672  -7.606   4.166
  160    HB2  PHE  40           1HB      PHE  40  -3.200  -4.712   4.849
  161    HB3  PHE  40           2HB      PHE  40  -1.932  -5.874   5.086
  162    HD1  PHE  40           1HD      PHE  40  -1.675  -7.633   2.969
  163    HD2  PHE  40           2HD      PHE  40  -3.302  -3.653   2.717
  164    HE1  PHE  40           1HE      PHE  40  -1.289  -7.626   0.522
  165    HE2  PHE  40           2HE      PHE  40  -2.933  -3.656   0.275
  166    HZ   PHE  40           HZ       PHE  40  -1.927  -5.641  -0.834
  167    H    GLY  41           H        GLY  41  -5.355  -6.152   6.857
  168    HA2  GLY  41           1HA      GLY  41  -3.972  -7.398   9.017
  169    HA3  GLY  41           2HA      GLY  41  -5.668  -6.883   9.003
  170    H    GLN  42           H        GLN  42  -5.827  -8.877   6.536
  171    HA   GLN  42           HA       GLN  42  -6.677 -11.243   8.012
  172    HB2  GLN  42           1HB      GLN  42  -6.300 -10.944   5.012
  173    HB3  GLN  42           2HB      GLN  42  -7.345 -12.078   5.861
  174    HG2  GLN  42           1HG      GLN  42  -7.713  -9.066   5.607
  175    HG3  GLN  42           2HG      GLN  42  -8.671 -10.305   4.832
  176   HE21  GLN  42          2HE2      GLN  42  -9.450  -8.048   6.685
  177   HE22  GLN  42          1HE2      GLN  42 -10.304  -8.856   8.000
  178    H    PHE  43           H        PHE  43  -3.673 -10.206   6.557
  179    HA   PHE  43           HA       PHE  43  -2.495 -12.946   6.681
  180    HB2  PHE  43           1HB      PHE  43  -1.330 -10.374   5.550
  181    HB3  PHE  43           2HB      PHE  43  -0.691 -11.991   5.378
  182    HD1  PHE  43           1HD      PHE  43  -1.861 -13.658   3.844
  183    HD2  PHE  43           2HD      PHE  43  -3.118  -9.567   4.173
  184    HE1  PHE  43           1HE      PHE  43  -3.163 -13.888   1.746
  185    HE2  PHE  43           2HE      PHE  43  -4.432  -9.785   2.079
  186    HZ   PHE  43           HZ       PHE  43  -4.469 -11.957   0.870
  187    H    GLY  44           H        GLY  44  -2.105  -9.612   7.931
  188    HA2  GLY  44           1HA      GLY  44  -1.295 -10.449  10.535
  189    HA3  GLY  44           2HA      GLY  44   0.133  -9.963   9.637
  190    H    GLU  45           H        GLU  45  -1.018  -8.629  11.986
  191    HA   GLU  45           HA       GLU  45  -2.499  -6.312  11.217
  192    HB2  GLU  45           1HB      GLU  45  -2.415  -7.193  13.522
  193    HB3  GLU  45           2HB      GLU  45  -0.712  -6.751  13.642
  194    HG2  GLU  45           1HG      GLU  45  -2.169  -5.139  14.779
  195    HG3  GLU  45           2HG      GLU  45  -1.270  -4.373  13.479
  196    H    VAL  46           H        VAL  46  -1.868  -4.139  10.982
  197    HA   VAL  46           HA       VAL  46   0.785  -3.921   9.675
  198    HB   VAL  46           HB       VAL  46  -0.077  -2.244   8.280
  199   HG11  VAL  46          1HG1      VAL  46  -0.511  -4.606   7.639
  200   HG12  VAL  46          2HG1      VAL  46  -2.124  -4.498   8.384
  201   HG13  VAL  46          3HG1      VAL  46  -1.725  -3.492   6.986
  202   HG21  VAL  46          3HG2      VAL  46  -2.495  -1.613   8.255
  203   HG22  VAL  46          1HG2      VAL  46  -2.617  -2.316   9.889
  204   HG23  VAL  46          2HG2      VAL  46  -1.546  -0.932   9.585
  205    H    LYS  47           H        LYS  47   2.215  -2.510  10.168
  206    HA   LYS  47           HA       LYS  47   2.107  -0.986  12.690
  207    HB2  LYS  47           1HB      LYS  47   3.978  -2.514  11.986
  208    HB3  LYS  47           2HB      LYS  47   4.320  -1.443  10.631
  209    HG2  LYS  47           1HG      LYS  47   4.934   0.370  12.167
  210    HG3  LYS  47           2HG      LYS  47   4.422  -0.610  13.555
  211    HD2  LYS  47           1HD      LYS  47   6.180  -2.295  12.984
  212    HD3  LYS  47           2HD      LYS  47   6.704  -1.263  11.634
  213    HE2  LYS  47           1HE      LYS  47   7.178   0.580  13.251
  214    HE3  LYS  47           2HE      LYS  47   6.657  -0.459  14.583
  215    HZ1  LYS  47           3HZ      LYS  47   9.068  -0.473  14.339
  216    HZ2  LYS  47           1HZ      LYS  47   8.487  -1.968  14.036
  217    HZ3  LYS  47           2HZ      LYS  47   8.969  -1.008  12.800
  218    H    GLU  48           H        GLU  48   1.863  -0.393   9.273
  219    HA   GLU  48           HA       GLU  48   1.216   2.419   9.547
  220    HB2  GLU  48           1HB      GLU  48   3.687   2.551   9.633
  221    HB3  GLU  48           2HB      GLU  48   3.801   1.601   8.156
  222    HG2  GLU  48           1HG      GLU  48   2.766   3.399   6.857
  223    HG3  GLU  48           2HG      GLU  48   2.508   4.341   8.332
  224    H    CYS  49           H        CYS  49   0.154   3.151   7.656
  225    HA   CYS  49           HA       CYS  49   0.094   1.510   5.241
  226    HB2  CYS  49           1HB      CYS  49  -2.403   1.284   5.276
  227    HB3  CYS  49           2HB      CYS  49  -1.584   0.341   6.526
  228    HG   CYS  49           HG       CYS  49  -1.922   2.059   8.479
  229    H    LEU  50           H        LEU  50  -0.435   2.658   3.435
  230    HA   LEU  50           HA       LEU  50  -1.098   5.554   3.649
  231    HB2  LEU  50           1HB      LEU  50   1.382   4.258   2.481
  232    HB3  LEU  50           2HB      LEU  50   0.844   5.840   1.960
  233    HG   LEU  50           HG       LEU  50   1.709   5.160   4.794
  234   HD11  LEU  50          1HD1      LEU  50   3.549   5.102   3.146
  235   HD12  LEU  50          2HD1      LEU  50   3.086   6.700   2.530
  236   HD13  LEU  50          3HD1      LEU  50   3.698   6.522   4.190
  237   HD21  LEU  50          3HD2      LEU  50   1.680   7.641   5.099
  238   HD22  LEU  50          1HD2      LEU  50   0.954   7.823   3.487
  239   HD23  LEU  50          2HD2      LEU  50   0.064   7.009   4.793
  240    H    VAL  51           H        VAL  51  -2.170   6.357   1.935
  241    HA   VAL  51           HA       VAL  51  -2.002   4.989  -0.716
  242    HB   VAL  51           HB       VAL  51  -4.599   5.977   0.546
  243   HG11  VAL  51          1HG1      VAL  51  -4.509   6.674  -1.828
  244   HG12  VAL  51          2HG1      VAL  51  -4.055   5.026  -2.308
  245   HG13  VAL  51          3HG1      VAL  51  -5.657   5.355  -1.618
  246   HG21  VAL  51          3HG2      VAL  51  -5.388   3.670   0.069
  247   HG22  VAL  51          1HG2      VAL  51  -3.769   3.237  -0.512
  248   HG23  VAL  51          2HG2      VAL  51  -4.026   3.667   1.193
  249    H    MET  52           H        MET  52  -1.504   6.376  -2.288
  250    HA   MET  52           HA       MET  52  -0.736   9.075  -1.439
  251    HB2  MET  52           1HB      MET  52  -0.169   7.444  -3.936
  252    HB3  MET  52           2HB      MET  52   0.508   9.048  -3.600
  253    HG2  MET  52           1HG      MET  52   0.910   6.705  -1.707
  254    HG3  MET  52           2HG      MET  52   1.978   7.078  -3.035
  255    HE1  MET  52           3HE      MET  52   2.137   8.712   1.072
  256    HE2  MET  52           1HE      MET  52   0.611   8.127   0.364
  257    HE3  MET  52           2HE      MET  52   2.045   7.064   0.403
  258    H    ARG  53           H        ARG  53  -3.272   9.393  -1.321
  259    HA   ARG  53           HA       ARG  53  -4.533  10.277  -3.792
  260    HB2  ARG  53           1HB      ARG  53  -5.330  10.238  -0.915
  261    HB3  ARG  53           2HB      ARG  53  -6.156  11.356  -2.019
  262    HG2  ARG  53           1HG      ARG  53  -6.699   9.523  -3.541
  263    HG3  ARG  53           2HG      ARG  53  -5.945   8.358  -2.433
  264    HD2  ARG  53           1HD      ARG  53  -8.359  10.123  -1.866
  265    HD3  ARG  53           2HD      ARG  53  -8.399   8.389  -2.227
  266    HE   ARG  53           HE       ARG  53  -6.705   8.649  -0.018
  267   HH11  ARG  53          1HH1      ARG  53 -10.126   9.267  -0.657
  268   HH12  ARG  53          2HH1      ARG  53 -10.562   9.126   1.019
  269   HH21  ARG  53          1HH2      ARG  53  -7.325   8.537   2.140
  270   HH22  ARG  53          2HH2      ARG  53  -8.999   8.697   2.573
  271    H    ASP  54           H        ASP  54  -4.322  12.035  -4.835
  272    HA   ASP  54           HA       ASP  54  -2.913  14.398  -3.918
  273    HB2  ASP  54           1HB      ASP  54  -2.967  13.655  -6.267
  274    HB3  ASP  54           2HB      ASP  54  -4.717  13.860  -6.310
  275    HA   PRO  55           HA       PRO  55  -6.556  15.816  -1.801
  276    HB2  PRO  55           1HB      PRO  55  -5.754  18.251  -0.836
  277    HB3  PRO  55           2HB      PRO  55  -5.055  16.703  -0.271
  278    HG2  PRO  55           1HG      PRO  55  -3.945  18.584  -2.378
  279    HG3  PRO  55           2HG      PRO  55  -3.086  17.856  -0.986
  280    HD2  PRO  55           1HD      PRO  55  -2.980  16.779  -3.501
  281    HD3  PRO  55           2HD      PRO  55  -2.977  15.753  -2.033
  282    H    LEU  56           H        LEU  56  -5.528  17.437  -4.711
  283    HA   LEU  56           HA       LEU  56  -7.858  19.297  -4.715
  284    HB2  LEU  56           1HB      LEU  56  -5.359  18.958  -6.417
  285    HB3  LEU  56           2HB      LEU  56  -6.764  19.790  -7.038
  286    HG   LEU  56           HG       LEU  56  -6.686  21.430  -5.197
  287   HD11  LEU  56          1HD1      LEU  56  -5.578  20.211  -3.399
  288   HD12  LEU  56          2HD1      LEU  56  -4.109  20.011  -4.389
  289   HD13  LEU  56          3HD1      LEU  56  -4.603  21.620  -3.818
  290   HD21  LEU  56          3HD2      LEU  56  -4.699  22.634  -6.025
  291   HD22  LEU  56          1HD2      LEU  56  -4.074  21.135  -6.745
  292   HD23  LEU  56          2HD2      LEU  56  -5.573  21.865  -7.359
  293    H    THR  57           H        THR  57  -6.551  16.456  -6.473
  294    HA   THR  57           HA       THR  57  -9.051  16.346  -8.115
  295    HB   THR  57           HB       THR  57  -7.842  15.011  -9.641
  296    HG1  THR  57           1HG      THR  57  -5.613  14.537  -9.229
  297   HG21  THR  57          3HG2      THR  57  -6.143  16.542 -10.443
  298   HG22  THR  57          1HG2      THR  57  -7.490  17.485  -9.784
  299   HG23  THR  57          2HG2      THR  57  -5.990  17.298  -8.845
  300    H    LYS  58           H        LYS  58  -7.681  14.831  -5.455
  301    HA   LYS  58           HA       LYS  58  -8.335  13.186  -4.096
  302    HB2  LYS  58           1HB      LYS  58 -10.796  12.533  -5.690
  303    HB3  LYS  58           2HB      LYS  58 -10.557  12.540  -3.957
  304    HG2  LYS  58           1HG      LYS  58 -11.112  14.865  -5.814
  305    HG3  LYS  58           2HG      LYS  58 -12.081  14.272  -4.486
  306    HD2  LYS  58           1HD      LYS  58  -9.479  15.843  -4.270
  307    HD3  LYS  58           2HD      LYS  58 -11.110  16.414  -3.959
  308    HE2  LYS  58           1HE      LYS  58 -11.296  14.638  -2.129
  309    HE3  LYS  58           2HE      LYS  58  -9.567  14.330  -2.353
  310    HZ1  LYS  58           3HZ      LYS  58  -9.891  15.925  -0.585
  311    HZ2  LYS  58           1HZ      LYS  58  -9.202  16.727  -1.842
  312    HZ3  LYS  58           2HZ      LYS  58 -10.794  16.905  -1.528
  313    H    ARG  59           H        ARG  59  -7.318  12.581  -7.128
  314    HA   ARG  59           HA       ARG  59  -7.739   9.707  -7.329
  315    HB2  ARG  59           1HB      ARG  59  -5.681  11.453  -8.742
  316    HB3  ARG  59           2HB      ARG  59  -6.133   9.801  -9.162
  317    HG2  ARG  59           1HG      ARG  59  -7.780  12.317  -9.465
  318    HG3  ARG  59           2HG      ARG  59  -7.191  11.203 -10.707
  319    HD2  ARG  59           1HD      ARG  59  -8.697   9.435  -9.590
  320    HD3  ARG  59           2HD      ARG  59  -9.461  10.772  -8.727
  321    HE   ARG  59           HE       ARG  59  -9.720  10.042 -11.536
  322   HH11  ARG  59          1HH1      ARG  59 -10.125  12.841  -9.351
  323   HH12  ARG  59          2HH1      ARG  59 -11.279  13.573 -10.419
  324   HH21  ARG  59          1HH2      ARG  59 -11.172  11.101 -12.844
  325   HH22  ARG  59          2HH2      ARG  59 -11.844  12.627 -12.360
  326    H    SER  60           H        SER  60  -6.539   8.114  -6.698
  327    HA   SER  60           HA       SER  60  -4.391   8.518  -4.689
  328    HB2  SER  60           1HB      SER  60  -4.763   6.167  -4.243
  329    HB3  SER  60           2HB      SER  60  -6.324   7.011  -4.313
  330    HG   SER  60           HG       SER  60  -6.357   5.045  -5.535
  331    H    ARG  61           H        ARG  61  -4.361   8.323  -7.970
  332    HA   ARG  61           HA       ARG  61  -3.005   7.596  -9.627
  333    HB2  ARG  61           1HB      ARG  61  -0.917   7.723  -7.416
  334    HB3  ARG  61           2HB      ARG  61  -0.527   7.240  -9.063
  335    HG2  ARG  61           1HG      ARG  61  -1.341   9.370  -9.955
  336    HG3  ARG  61           2HG      ARG  61  -1.823   9.892  -8.332
  337    HD2  ARG  61           1HD      ARG  61   0.337  10.885  -9.012
  338    HD3  ARG  61           2HD      ARG  61   0.477   9.868  -7.569
  339    HE   ARG  61           HE       ARG  61   1.068   8.509 -10.113
  340   HH11  ARG  61          1HH1      ARG  61   2.610  10.351  -7.472
  341   HH12  ARG  61          2HH1      ARG  61   4.073   9.380  -7.633
  342   HH21  ARG  61          1HH2      ARG  61   3.027   7.307 -10.083
  343   HH22  ARG  61          2HH2      ARG  61   4.294   7.869  -9.007
  344    H    GLY  62           H        GLY  62  -4.325   5.580  -7.574
  345    HA2  GLY  62           1HA      GLY  62  -4.738   3.327  -7.648
  346    HA3  GLY  62           2HA      GLY  62  -3.711   3.211  -9.094
  347    H    PHE  63           H        PHE  63  -2.359   4.463  -6.022
  348    HA   PHE  63           HA       PHE  63  -1.400   1.821  -5.280
  349    HB2  PHE  63           1HB      PHE  63   0.856   2.000  -5.702
  350    HB3  PHE  63           2HB      PHE  63   0.159   2.646  -7.163
  351    HD1  PHE  63           1HD      PHE  63   0.194   5.177  -7.536
  352    HD2  PHE  63           2HD      PHE  63   2.191   3.304  -4.205
  353    HE1  PHE  63           1HE      PHE  63   1.514   7.242  -7.147
  354    HE2  PHE  63           2HE      PHE  63   3.550   5.347  -3.877
  355    HZ   PHE  63           HZ       PHE  63   3.212   7.317  -5.313
  356    H    GLY  64           H        GLY  64  -0.038   1.718  -3.460
  357    HA2  GLY  64           1HA      GLY  64   0.251   3.999  -1.627
  358    HA3  GLY  64           2HA      GLY  64  -0.900   2.774  -1.123
  359    H    PHE  65           H        PHE  65   0.490   2.479   0.706
  360    HA   PHE  65           HA       PHE  65   2.608   0.454   0.310
  361    HB2  PHE  65           1HB      PHE  65   3.044   3.161   1.619
  362    HB3  PHE  65           2HB      PHE  65   4.002   1.770   2.051
  363    HD1  PHE  65           1HD      PHE  65   3.301   4.230  -0.655
  364    HD2  PHE  65           2HD      PHE  65   5.679   0.841   0.601
  365    HE1  PHE  65           1HE      PHE  65   4.981   4.737  -2.398
  366    HE2  PHE  65           2HE      PHE  65   7.333   1.357  -1.170
  367    HZ   PHE  65           HZ       PHE  65   6.990   3.344  -2.644
  368    H    VAL  66           H        VAL  66   2.959  -0.847   2.125
  369    HA   VAL  66           HA       VAL  66   1.437  -0.304   4.629
  370    HB   VAL  66           HB       VAL  66   1.169  -2.879   3.023
  371   HG11  VAL  66          1HG1      VAL  66   1.391  -3.504   5.391
  372   HG12  VAL  66          2HG1      VAL  66   0.186  -2.276   5.844
  373   HG13  VAL  66          3HG1      VAL  66  -0.283  -3.693   4.879
  374   HG21  VAL  66          3HG2      VAL  66  -1.256  -2.414   3.132
  375   HG22  VAL  66          1HG2      VAL  66  -0.941  -0.895   3.996
  376   HG23  VAL  66          2HG2      VAL  66  -0.405  -1.108   2.318
  377    H    THR  67           H        THR  67   2.544  -0.807   6.396
  378    HA   THR  67           HA       THR  67   4.970  -2.574   6.254
  379    HB   THR  67           HB       THR  67   4.374  -0.519   8.409
  380    HG1  THR  67           1HG      THR  67   5.793   0.816   7.301
  381   HG21  THR  67          3HG2      THR  67   6.824  -0.735   8.818
  382   HG22  THR  67          1HG2      THR  67   5.986  -2.273   9.053
  383   HG23  THR  67          2HG2      THR  67   6.913  -1.995   7.570
  384    H    PHE  68           H        PHE  68   4.991  -4.320   7.607
  385    HA   PHE  68           HA       PHE  68   2.494  -4.901   9.126
  386    HB2  PHE  68           1HB      PHE  68   4.661  -6.675   7.974
  387    HB3  PHE  68           2HB      PHE  68   3.371  -7.246   9.025
  388    HD1  PHE  68           2HD      PHE  68   4.067  -5.746   5.677
  389    HD2  PHE  68           1HD      PHE  68   1.123  -7.561   8.249
  390    HE1  PHE  68           2HE      PHE  68   2.540  -6.010   3.741
  391    HE2  PHE  68           1HE      PHE  68  -0.403  -7.825   6.311
  392    HZ   PHE  68           HZ       PHE  68   0.307  -7.045   4.057
  393    H    MET  69           H        MET  69   2.557  -5.663  11.244
  394    HA   MET  69           HA       MET  69   4.698  -4.682  12.957
  395    HB2  MET  69           1HB      MET  69   2.303  -6.472  13.564
  396    HB3  MET  69           2HB      MET  69   3.390  -5.757  14.754
  397    HG2  MET  69           1HG      MET  69   2.771  -3.474  13.654
  398    HG3  MET  69           2HG      MET  69   1.441  -4.357  12.912
  399    HE1  MET  69           3HE      MET  69   1.962  -3.281  17.370
  400    HE2  MET  69           1HE      MET  69   3.138  -4.324  16.550
  401    HE3  MET  69           2HE      MET  69   2.911  -2.646  16.010
  402    H    ASP  70           H        ASP  70   4.558  -7.410  11.097
  403    HA   ASP  70           HA       ASP  70   6.902  -8.638  12.315
  404    HB2  ASP  70           1HB      ASP  70   5.894 -10.882  12.474
  405    HB3  ASP  70           2HB      ASP  70   5.179  -9.749  13.609
  406    H    GLN  71           H        GLN  71   7.922 -10.205  10.891
  407    HA   GLN  71           HA       GLN  71   7.687  -9.433   8.110
  408    HB2  GLN  71           1HB      GLN  71   9.807 -10.007   9.330
  409    HB3  GLN  71           2HB      GLN  71   9.291 -11.686   9.391
  410    HG2  GLN  71           1HG      GLN  71  10.900 -11.352   7.585
  411    HG3  GLN  71           2HG      GLN  71   9.347 -11.844   6.939
  412   HE21  GLN  71          2HE2      GLN  71  10.134 -10.983   4.847
  413   HE22  GLN  71          1HE2      GLN  71  10.089  -9.251   4.569
  414    H    ALA  72           H        ALA  72   6.399 -12.128   9.976
  415    HA   ALA  72           HA       ALA  72   5.885 -13.946   7.857
  416    HB1  ALA  72           1HB      ALA  72   5.750 -14.528  10.255
  417    HB2  ALA  72           2HB      ALA  72   4.299 -13.512  10.426
  418    HB3  ALA  72           3HB      ALA  72   4.259 -14.954   9.395
  419    H    GLY  73           H        GLY  73   3.955 -11.088   8.865
  420    HA2  GLY  73           1HA      GLY  73   1.755 -11.570   7.079
  421    HA3  GLY  73           2HA      GLY  73   2.258  -9.994   7.724
  422    H    VAL  74           H        VAL  74   4.959 -10.208   6.494
  423    HA   VAL  74           HA       VAL  74   4.333  -9.226   3.796
  424    HB   VAL  74           HB       VAL  74   6.998  -9.735   5.174
  425   HG11  VAL  74          1HG1      VAL  74   7.409 -10.051   2.816
  426   HG12  VAL  74          2HG1      VAL  74   6.507  -8.578   2.409
  427   HG13  VAL  74          3HG1      VAL  74   8.037  -8.477   3.301
  428   HG21  VAL  74          3HG2      VAL  74   7.162  -7.281   5.180
  429   HG22  VAL  74          1HG2      VAL  74   5.550  -7.165   4.450
  430   HG23  VAL  74          2HG2      VAL  74   5.750  -7.833   6.088
  431    H    ASP  75           H        ASP  75   5.928 -12.131   5.232
  432    HA   ASP  75           HA       ASP  75   6.553 -13.505   2.866
  433    HB2  ASP  75           1HB      ASP  75   7.177 -14.081   5.273
  434    HB3  ASP  75           2HB      ASP  75   5.574 -14.754   5.468
  435    H    LYS  76           H        LYS  76   3.490 -13.564   4.724
  436    HA   LYS  76           HA       LYS  76   2.151 -15.528   3.137
  437    HB2  LYS  76           1HB      LYS  76   1.212 -13.255   4.919
  438    HB3  LYS  76           2HB      LYS  76   0.107 -14.427   4.186
  439    HG2  LYS  76           1HG      LYS  76   0.999 -16.258   5.387
  440    HG3  LYS  76           2HG      LYS  76   2.419 -15.338   5.933
  441    HD2  LYS  76           1HD      LYS  76   1.042 -13.886   7.304
  442    HD3  LYS  76           2HD      LYS  76  -0.457 -14.546   6.616
  443    HE2  LYS  76           1HE      LYS  76  -0.053 -16.704   7.626
  444    HE3  LYS  76           2HE      LYS  76   1.533 -16.181   8.231
  445    HZ1  LYS  76           3HZ      LYS  76  -0.157 -16.037   9.968
  446    HZ2  LYS  76           1HZ      LYS  76   0.365 -14.527   9.602
  447    HZ3  LYS  76           2HZ      LYS  76  -1.082 -15.038   9.057
  448    H    VAL  77           H        VAL  77   2.375 -12.006   2.713
  449    HA   VAL  77           HA       VAL  77   0.346 -11.911   0.643
  450    HB   VAL  77           HB       VAL  77   2.490  -9.912   1.403
  451   HG11  VAL  77          1HG1      VAL  77   1.918  -9.495  -0.969
  452   HG12  VAL  77          2HG1      VAL  77   0.188  -9.526  -0.566
  453   HG13  VAL  77          3HG1      VAL  77   1.235  -8.239   0.066
  454   HG21  VAL  77          3HG2      VAL  77   0.591  -8.686   2.387
  455   HG22  VAL  77          1HG2      VAL  77  -0.556  -9.892   1.763
  456   HG23  VAL  77          2HG2      VAL  77   0.580 -10.332   3.037
  457    H    LEU  78           H        LEU  78   3.924 -12.166   0.589
  458    HA   LEU  78           HA       LEU  78   4.188 -12.126  -2.291
  459    HB2  LEU  78           1HB      LEU  78   5.927 -13.416  -0.156
  460    HB3  LEU  78           2HB      LEU  78   6.437 -13.033  -1.797
  461    HG   LEU  78           HG       LEU  78   5.543 -10.911   0.207
  462   HD11  LEU  78          1HD1      LEU  78   7.421 -12.205   1.057
  463   HD12  LEU  78          2HD1      LEU  78   8.299 -12.018  -0.472
  464   HD13  LEU  78          3HD1      LEU  78   7.995 -10.591   0.559
  465   HD21  LEU  78          3HD2      LEU  78   6.772  -9.378  -1.286
  466   HD22  LEU  78          1HD2      LEU  78   7.062 -10.710  -2.426
  467   HD23  LEU  78          2HD2      LEU  78   5.402 -10.143  -2.101
  468    H    ALA  79           H        ALA  79   3.792 -14.733   0.084
  469    HA   ALA  79           HA       ALA  79   4.161 -16.877  -1.700
  470    HB1  ALA  79           1HB      ALA  79   4.324 -17.063   0.745
  471    HB2  ALA  79           2HB      ALA  79   2.575 -16.770   0.904
  472    HB3  ALA  79           3HB      ALA  79   3.167 -18.245   0.114
  473    H    GLN  80           H        GLN  80   1.481 -14.753  -1.670
  474    HA   GLN  80           HA       GLN  80  -0.325 -16.721  -3.005
  475    HB2  GLN  80           1HB      GLN  80  -1.210 -15.624  -0.998
  476    HB3  GLN  80           2HB      GLN  80  -0.917 -14.032  -1.705
  477    HG2  GLN  80           1HG      GLN  80  -2.545 -14.457  -3.470
  478    HG3  GLN  80           2HG      GLN  80  -2.742 -16.136  -2.961
  479   HE21  GLN  80          2HE2      GLN  80  -4.497 -13.445  -3.013
  480   HE22  GLN  80          1HE2      GLN  80  -5.357 -13.626  -1.481
  481    H    SER  81           H        SER  81  -0.994 -16.362  -5.127
  482    HA   SER  81           HA       SER  81   0.857 -14.666  -6.647
  483    HB2  SER  81           1HB      SER  81   0.361 -17.129  -7.038
  484    HB3  SER  81           2HB      SER  81  -1.187 -16.623  -7.729
  485    HG   SER  81           HG       SER  81   0.065 -15.320  -9.230
  486    H    ARG  82           H        ARG  82  -2.265 -14.016  -5.535
  487    HA   ARG  82           HA       ARG  82  -2.648 -11.779  -7.355
  488    HB2  ARG  82           1HB      ARG  82  -3.485 -13.741  -8.676
  489    HB3  ARG  82           2HB      ARG  82  -4.669 -14.065  -7.410
  490    HG2  ARG  82           1HG      ARG  82  -5.762 -11.909  -7.822
  491    HG3  ARG  82           2HG      ARG  82  -4.499 -11.438  -8.972
  492    HD2  ARG  82           1HD      ARG  82  -6.329 -13.848  -9.306
  493    HD3  ARG  82           2HD      ARG  82  -6.660 -12.247  -9.993
  494    HE   ARG  82           HE       ARG  82  -4.079 -12.917 -10.842
  495   HH11  ARG  82          1HH1      ARG  82  -7.322 -14.226 -11.371
  496   HH12  ARG  82          2HH1      ARG  82  -6.904 -14.877 -12.928
  497   HH21  ARG  82          1HH2      ARG  82  -3.604 -13.784 -12.852
  498   HH22  ARG  82          2HH2      ARG  82  -4.829 -14.624 -13.753
  499    H    HIS  83           H        HIS  83  -4.110 -10.266  -6.589
  500    HA   HIS  83           HA       HIS  83  -5.600 -10.732  -4.062
  501    HB2  HIS  83           1HB      HIS  83  -3.399  -8.682  -4.532
  502    HB3  HIS  83           2HB      HIS  83  -4.522  -8.623  -3.171
  503    HD1  HIS  83           1HD      HIS  83  -4.222 -10.649  -1.323
  504    HD2  HIS  83           2HD      HIS  83  -1.294 -10.255  -4.314
  505    HE1  HIS  83           1HE      HIS  83  -2.179 -11.965  -0.514
  506    H    GLU  84           H        GLU  84  -7.185  -8.986  -3.633
  507    HA   GLU  84           HA       GLU  84  -7.814  -7.114  -5.821
  508    HB2  GLU  84           1HB      GLU  84  -8.697  -9.399  -6.504
  509    HB3  GLU  84           2HB      GLU  84  -9.758  -9.334  -5.093
  510    HG2  GLU  84           1HG      GLU  84 -10.699  -7.156  -6.029
  511    HG3  GLU  84           2HG      GLU  84  -9.724  -7.432  -7.475
  512    H    LEU  85           H        LEU  85  -8.799  -5.361  -5.086
  513    HA   LEU  85           HA       LEU  85 -10.380  -5.328  -2.595
  514    HB2  LEU  85           1HB      LEU  85  -8.074  -5.072  -1.805
  515    HB3  LEU  85           2HB      LEU  85  -7.771  -3.811  -3.008
  516    HG   LEU  85           HG       LEU  85  -9.393  -2.322  -1.842
  517   HD11  LEU  85          1HD1      LEU  85 -10.896  -3.906  -0.754
  518   HD12  LEU  85          2HD1      LEU  85  -9.552  -4.626   0.154
  519   HD13  LEU  85          3HD1      LEU  85 -10.076  -2.970   0.508
  520   HD21  LEU  85          3HD2      LEU  85  -7.951  -1.882   0.103
  521   HD22  LEU  85          1HD2      LEU  85  -7.194  -3.480  -0.071
  522   HD23  LEU  85          2HD2      LEU  85  -6.983  -2.249  -1.336
  523    H    ASP  86           H        ASP  86 -12.030  -3.929  -2.793
  524    HA   ASP  86           HA       ASP  86 -13.617  -2.719  -3.821
  525    HB2  ASP  86           1HB      ASP  86 -12.010  -0.888  -3.201
  526    HB3  ASP  86           2HB      ASP  86 -11.403  -0.919  -4.855
  527    H    SER  87           H        SER  87 -12.788  -4.997  -5.193
  528    HA   SER  87           HA       SER  87 -13.056  -6.154  -7.126
  529    HB2  SER  87           1HB      SER  87 -14.582  -3.739  -8.147
  530    HB3  SER  87           2HB      SER  87 -14.621  -5.382  -8.793
  531    HG   SER  87           HG       SER  87 -16.398  -4.948  -7.379
  532    H    LYS  88           H        LYS  88 -10.712  -4.189  -6.869
  533    HA   LYS  88           HA       LYS  88  -9.820  -4.196  -9.733
  534    HB2  LYS  88           1HB      LYS  88  -9.435  -2.239  -7.452
  535    HB3  LYS  88           2HB      LYS  88  -8.164  -2.401  -8.651
  536    HG2  LYS  88           1HG      LYS  88 -11.017  -1.952  -9.576
  537    HG3  LYS  88           2HG      LYS  88 -10.057  -0.604  -8.954
  538    HD2  LYS  88           1HD      LYS  88  -8.326  -0.929 -10.597
  539    HD3  LYS  88           2HD      LYS  88  -9.099  -2.403 -11.216
  540    HE2  LYS  88           1HE      LYS  88 -10.981  -1.179 -12.077
  541    HE3  LYS  88           2HE      LYS  88 -10.526   0.290 -11.220
  542    HZ1  LYS  88           3HZ      LYS  88  -9.873   0.420 -13.550
  543    HZ2  LYS  88           1HZ      LYS  88  -8.514   0.395 -12.636
  544    HZ3  LYS  88           2HZ      LYS  88  -8.986  -0.946 -13.443
  545    H    THR  89           H        THR  89  -8.102  -5.425 -10.172
  546    HA   THR  89           HA       THR  89  -7.016  -7.228  -8.184
  547    HB   THR  89           HB       THR  89  -6.038  -6.763 -11.025
  548    HG1  THR  89           1HG      THR  89  -7.536  -8.402 -11.524
  549   HG21  THR  89          3HG2      THR  89  -5.347  -9.135 -10.857
  550   HG22  THR  89          1HG2      THR  89  -4.550  -8.176  -9.601
  551   HG23  THR  89          2HG2      THR  89  -5.938  -9.203  -9.181
  552    H    ILE  90           H        ILE  90  -5.402  -6.792  -6.816
  553    HA   ILE  90           HA       ILE  90  -3.678  -4.413  -7.362
  554    HB   ILE  90           HB       ILE  90  -3.318  -4.151  -5.042
  555   HG12  ILE  90          1HG1      ILE  90  -4.969  -6.619  -4.477
  556   HG13  ILE  90          2HG1      ILE  90  -3.210  -6.458  -4.304
  557   HG21  ILE  90          1HG2      ILE  90  -5.464  -3.272  -6.082
  558   HG22  ILE  90          2HG2      ILE  90  -6.303  -4.696  -5.434
  559   HG23  ILE  90          3HG2      ILE  90  -5.592  -3.523  -4.339
  560   HD11  ILE  90          3HD1      ILE  90  -4.084  -6.180  -2.131
  561   HD12  ILE  90          1HD1      ILE  90  -3.630  -4.549  -2.684
  562   HD13  ILE  90          2HD1      ILE  90  -5.338  -5.055  -2.678
  563    H    ASP  91           H        ASP  91  -1.481  -4.448  -6.855
  564    HA   ASP  91           HA       ASP  91  -0.162  -7.120  -7.200
  565    HB2  ASP  91           1HB      ASP  91  -0.489  -5.993  -9.345
  566    HB3  ASP  91           2HB      ASP  91   0.320  -4.552  -8.730
  567    HA   PRO  92           HA       PRO  92   1.943  -4.806  -3.855
  568    HB2  PRO  92           1HB      PRO  92   1.621  -6.579  -1.780
  569    HB3  PRO  92           2HB      PRO  92   0.419  -5.353  -2.262
  570    HG2  PRO  92           1HG      PRO  92   0.342  -8.296  -2.744
  571    HG3  PRO  92           2HG      PRO  92  -1.008  -7.110  -2.596
  572    HD2  PRO  92           1HD      PRO  92   0.106  -8.167  -4.996
  573    HD3  PRO  92           2HD      PRO  92  -1.097  -6.869  -4.806
  574    H    LYS  93           H        LYS  93   3.996  -5.005  -3.061
  575    HA   LYS  93           HA       LYS  93   5.658  -7.393  -3.465
  576    HB2  LYS  93           1HB      LYS  93   7.072  -6.311  -5.190
  577    HB3  LYS  93           2HB      LYS  93   5.421  -6.568  -5.750
  578    HG2  LYS  93           1HG      LYS  93   4.890  -4.181  -5.273
  579    HG3  LYS  93           2HG      LYS  93   6.540  -3.928  -4.703
  580    HD2  LYS  93           1HD      LYS  93   6.411  -3.064  -6.935
  581    HD3  LYS  93           2HD      LYS  93   7.390  -4.529  -6.970
  582    HE2  LYS  93           1HE      LYS  93   5.976  -4.602  -8.888
  583    HE3  LYS  93           2HE      LYS  93   5.354  -5.806  -7.762
  584    HZ1  LYS  93           3HZ      LYS  93   3.583  -4.506  -8.718
  585    HZ2  LYS  93           1HZ      LYS  93   3.620  -4.197  -7.125
  586    HZ3  LYS  93           2HZ      LYS  93   4.216  -3.091  -8.203
  587    H    VAL  94           H        VAL  94   8.000  -6.918  -2.921
  588    HA   VAL  94           HA       VAL  94   8.108  -5.648  -0.350
  589    HB   VAL  94           HB       VAL  94  10.422  -6.548  -2.114
  590   HG11  VAL  94          1HG1      VAL  94  11.269  -5.026  -0.382
  591   HG12  VAL  94          2HG1      VAL  94  10.345  -5.889   0.870
  592   HG13  VAL  94          3HG1      VAL  94  11.700  -6.683   0.038
  593   HG21  VAL  94          3HG2      VAL  94  10.404  -8.565  -0.629
  594   HG22  VAL  94          1HG2      VAL  94   8.911  -7.970   0.128
  595   HG23  VAL  94          2HG2      VAL  94   8.936  -8.424  -1.591
  596    H    ALA  95           H        ALA  95   8.798  -3.679   0.342
  597    HA   ALA  95           HA       ALA  95   8.784  -1.527  -1.617
  598    HB1  ALA  95           1HB      ALA  95   7.561  -1.348   0.493
  599    HB2  ALA  95           2HB      ALA  95   9.072  -1.524   1.413
  600    HB3  ALA  95           3HB      ALA  95   8.804  -0.090   0.403
  601    H    PHE  96           H        PHE  96  10.439  -0.405  -2.451
  602    HA   PHE  96           HA       PHE  96  13.206  -0.883  -1.928
  603    HB2  PHE  96           1HB      PHE  96  11.945   1.638  -3.063
  604    HB3  PHE  96           2HB      PHE  96  13.602   1.111  -3.280
  605    HD1  PHE  96           2HD      PHE  96  12.822  -1.910  -3.953
  606    HD2  PHE  96           1HD      PHE  96  11.502   1.947  -5.374
  607    HE1  PHE  96           2HE      PHE  96  12.173  -2.920  -6.117
  608    HE2  PHE  96           1HE      PHE  96  10.852   0.930  -7.533
  609    HZ   PHE  96           HZ       PHE  96  11.185  -1.511  -7.912
  610    HA   PRO  97           HA       PRO  97  13.585   1.260   1.904
  611    HB2  PRO  97           1HB      PRO  97  16.280   1.726   2.097
  612    HB3  PRO  97           2HB      PRO  97  15.558   0.089   2.164
  613    HG2  PRO  97           1HG      PRO  97  16.745   1.497  -0.254
  614    HG3  PRO  97           2HG      PRO  97  17.106  -0.154   0.350
  615    HD2  PRO  97           1HD      PRO  97  15.320   0.253  -1.648
  616    HD3  PRO  97           2HD      PRO  97  15.012  -0.980  -0.386
  617    H    ARG  98           H        ARG  98  14.066   3.215   2.963
  618    HA   ARG  98           HA       ARG  98  14.608   5.685   1.396
  619    HB2  ARG  98           1HB      ARG  98  12.215   5.161   3.216
  620    HB3  ARG  98           2HB      ARG  98  12.690   6.758   2.668
  621    HG2  ARG  98           1HG      ARG  98  11.821   4.523   0.802
  622    HG3  ARG  98           2HG      ARG  98  10.761   5.757   1.472
  623    HD2  ARG  98           1HD      ARG  98  11.210   6.614  -0.615
  624    HD3  ARG  98           2HD      ARG  98  12.363   7.494   0.399
  625    HE   ARG  98           HE       ARG  98  13.662   5.168  -0.527
  626   HH11  ARG  98          1HH2      ARG  98  12.309   8.093  -2.036
  627   HH12  ARG  98          2HH2      ARG  98  13.440   8.012  -3.360
  628   HH21  ARG  98          1HH1      ARG  98  15.057   5.138  -2.228
  629   HH22  ARG  98          2HH1      ARG  98  14.976   6.350  -3.475
  630    H    ARG  99           H        ARG  99  14.988   7.546   2.865
  631    HA   ARG  99           HA       ARG  99  16.112   6.797   5.540
  632    HB2  ARG  99           1HB      ARG  99  17.366   8.659   3.481
  633    HB3  ARG  99           2HB      ARG  99  17.962   8.386   5.115
  634    HG2  ARG  99           1HG      ARG  99  17.826   6.292   2.899
  635    HG3  ARG  99           2HG      ARG  99  19.262   7.169   3.423
  636    HD2  ARG  99           1HD      ARG  99  19.094   6.146   5.672
  637    HD3  ARG  99           2HD      ARG  99  17.654   5.247   5.153
  638    HE   ARG  99           HE       ARG  99  19.864   4.789   3.365
  639   HH11  ARG  99          1HH1      ARG  99  18.671   3.773   6.538
  640   HH12  ARG  99          2HH1      ARG  99  19.500   2.247   6.463
  641   HH21  ARG  99          1HH2      ARG  99  20.905   2.805   3.332
  642   HH22  ARG  99          2HH2      ARG  99  20.748   1.710   4.672
  643    H    ALA 100           H        ALA 100  15.158   7.823   7.079
  644    HA   ALA 100           HA       ALA 100  14.560  10.655   7.158
  645    HB1  ALA 100           1HB      ALA 100  12.616   9.882   5.821
  646    HB2  ALA 100           2HB      ALA 100  12.249   8.648   7.045
  647    HB3  ALA 100           3HB      ALA 100  12.095  10.373   7.438
  648    H    GLN 101           H        GLN 101  13.522  11.218   9.311
  649    HA   GLN 101           HA       GLN 101  13.903   9.233  11.472
  650    HB2  GLN 101           1HB      GLN 101  15.307  11.941  11.272
  651    HB3  GLN 101           2HB      GLN 101  15.155  11.017  12.763
  652    HG2  GLN 101           1HG      GLN 101  16.375   9.111  11.677
  653    HG3  GLN 101           2HG      GLN 101  16.659  10.135  10.265
  654   HE21  GLN 101          2HE2      GLN 101  18.778   8.969  11.833
  655   HE22  GLN 101          1HE2      GLN 101  19.638  10.303  12.588
  656    HA   PRO 102           HA       PRO 102  10.434  11.669  13.083
  657    HB2  PRO 102           1HB      PRO 102  10.175  10.660  15.576
  658    HB3  PRO 102           2HB      PRO 102   9.902   9.648  14.131
  659    HG2  PRO 102           1HG      PRO 102  12.437   9.833  15.798
  660    HG3  PRO 102           2HG      PRO 102  11.559   8.358  15.282
  661    HD2  PRO 102           1HD      PRO 102  13.714   9.385  13.911
  662    HD3  PRO 102           2HD      PRO 102  12.375   8.521  13.098
  663    H    LYS 103           H        LYS 103  12.223  13.381  12.699
  664    HA   LYS 103           HA       LYS 103  12.785  14.948  15.141
  665    HB2  LYS 103           1HB      LYS 103  14.627  13.275  14.949
  666    HB3  LYS 103           2HB      LYS 103  14.991  13.877  13.327
  667    HG2  LYS 103           1HG      LYS 103  15.534  16.109  14.284
  668    HG3  LYS 103           2HG      LYS 103  15.131  15.508  15.906
  669    HD2  LYS 103           1HD      LYS 103  16.940  13.818  15.727
  670    HD3  LYS 103           2HD      LYS 103  17.333  14.409  14.097
  671    HE2  LYS 103           1HE      LYS 103  17.829  16.657  15.040
  672    HE3  LYS 103           2HE      LYS 103  17.449  16.062  16.661
  673    HZ1  LYS 103           3HZ      LYS 103  19.840  16.015  16.235
  674    HZ2  LYS 103           1HZ      LYS 103  19.301  14.489  16.445
  675    HZ3  LYS 103           2HZ      LYS 103  19.648  15.036  14.943
  676    H5'    G 104           H5'        G 104  -5.692  -0.878 -13.445
  677   H5''    G 104          H5"         G 104  -4.017  -0.641 -12.926
  678    H4'    G 104           H4'        G 104  -4.831   1.294 -14.179
  679    H3'    G 104           H3'        G 104  -3.663   1.480 -11.566
  680    H2'    G 104           H2'        G 104  -5.474   2.446 -10.545
  681   HO2'    G 104          HO2         G 104  -4.128   4.441 -11.959
  682    H1'    G 104           H1'        G 104  -6.342   3.661 -13.198
  683    H8     G 104           8H         G 104  -7.475   2.680  -9.684
  684    H1     G 104           1H         G 104 -12.168   4.875 -13.503
  685    H21    G 104           1H2        G 104 -11.349   5.100 -15.594
  686    H22    G 104           2H2        G 104  -9.681   4.658 -15.921
  687   HO5'    G 104          H5T         G 104  -5.438  -1.507 -11.254
  688    H5'    U 105           H5'        U 105  -2.079   2.672 -10.569
  689   H5''    U 105          H5"         U 105  -1.086   3.862 -11.409
  690    H4'    U 105           H4'        U 105  -0.110   3.199  -9.294
  691    H3'    U 105           H3'        U 105   1.253   3.422 -11.674
  692    H2'    U 105           H2'        U 105   1.426   1.166 -12.150
  693   HO2'    U 105          HO2         U 105   3.664   2.121 -11.205
  694    H1'    U 105           H1'        U 105   1.858   0.401  -9.277
  695    H3     U 105           3H         U 105   1.909  -3.959 -10.637
  696    H5     U 105           5H         U 105  -1.464  -2.410 -12.560
  697    H6     U 105           6H         U 105  -0.947  -0.224 -11.635
  698    H5'    A 106           H5'        A 106   4.960   3.419  -8.416
  699   H5''    A 106          H5"         A 106   3.658   4.018  -7.381
  700    H4'    A 106           H4'        A 106   5.012   5.849  -6.568
  701    H3'    A 106           H3'        A 106   6.395   5.979  -8.900
  702    H2'    A 106           H2'        A 106   7.171   3.732  -8.819
  703   HO2'    A 106          HO2         A 106   9.152   5.534  -7.935
  704    H1'    A 106           H1'        A 106   8.109   4.182  -5.969
  705    H8     A 106           8H         A 106   6.834   1.551  -8.537
  706    H61    A 106           1H6        A 106   8.979  -2.429  -4.175
  707    H62    A 106           2H6        A 106   8.380  -2.365  -5.835
  708    H2     A 106           2H         A 106   9.258   1.546  -2.574
  709    H5'    G 107           H5'        G 107   8.248   7.953  -4.491
  710   H5''    G 107          H5"         G 107   7.460   6.400  -4.203
  711    H4'    G 107           H4'        G 107   6.208   8.838  -2.956
  712    H3'    G 107           H3'        G 107   8.837   7.636  -2.060
  713    H2'    G 107           H2'        G 107   8.153   8.083   0.169
  714   HO2'    G 107          HO2         G 107   7.395  10.275  -0.261
  715    H1'    G 107           H1'        G 107   5.379   7.657  -0.321
  716    H8     G 107           8H         G 107   5.249   6.188   1.749
  717    H1     G 107           1H         G 107  10.305   2.598  -0.003
  718    H21    G 107           1H2        G 107  11.166   3.411  -1.870
  719    H22    G 107           2H2        G 107  10.414   4.778  -2.681
  720    H5'    U 108           H5'        U 108   9.846  12.387   0.762
  721   H5''    U 108          H5"         U 108  11.291  11.485   0.307
  722    H4'    U 108           H4'        U 108  11.204  11.495   2.662
  723    H3'    U 108           H3'        U 108  11.102   9.001   1.267
  724   HO3'    U 108          H3T         U 108  12.792   9.730   2.719
  725    H2'    U 108           H2'        U 108   8.947   8.496   2.095
  726   HO2'    U 108          HO2         U 108  10.873   7.706   4.009
  727    H1'    U 108           H1'        U 108   9.812   9.973   4.601
  728    H3     U 108           3H         U 108   6.093   9.079   7.006
  729    H5     U 108           5H         U 108   4.597   9.309   3.104
  730    H6     U 108           6H         U 108   6.871   9.725   2.298