*HEADER    TRANSLATION                             16-OCT-15   2RVH              
*TITLE     NMR STRUCTURE OF EIF1                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EUKARYOTIC TRANSLATION INITIATION FACTOR EIF-1;            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PROTEIN TRANSLATION FACTOR SUI1;                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE S288C;                 
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 ORGANISM_TAXID: 559292;                                              
*SOURCE   5 STRAIN: S288C;                                                       
*SOURCE   6 GENE: SUI1, RFR1, YNL244C, N0905;                                    
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET28B                                     
*KEYWDS    TRANSLATION, TRANSLATION INITIATION FACTOR                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    T.NAGATA, E.OBAYASHI, K.ASANO                                         
*REVDAT   1   26-OCT-16 2RVH    0                                                


#
#  chirality for residue 1 atoms:  CA CG 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:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA OG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 CG1 HB
 &rst iat=33,37,41,36, &end
#
#  chirality for residue 3 atoms:  CB CD1 HG12 HG13
 &rst iat=35,44,42,43, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,48,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=52,57,55,56, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=54,60,58,59, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=50,63,53,54, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=67,72,70,71, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=65,77,68,69, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=81,86,84,85, &end
#
#  chirality for residue 6 atoms:  CB CD1 CD2 HG
 &rst iat=83,88,92,87, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=79,96,82,83, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=100,105,103,104, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=102,108,106,107, &end
#
#  chirality for residue 7 atoms:  CD NZ HE2 HE3
 &rst iat=108,114,112,113, &end
#
#  chirality for residue 7 atoms:  CG CE HD2 HD3
 &rst iat=105,111,109,110, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=98,118,101,102, &end
#
#  chirality for residue 8 atoms:  CA OG HB2 HB3
 &rst iat=122,127,125,126, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=120,129,123,124, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=133,138,136,137, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=131,149,134,135, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=153,158,156,157, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=151,161,154,155, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=173,167,171,172, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=170,164,168,169, &end
#
#  chirality for residue 11 atoms:  CG N HD2 HD3
 &rst iat=167,163,165,166, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=163,175,174,170, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=177,195,180,181, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=197,205,200,201, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=209,214,212,213, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=207,217,210,211, &end
#
#  chirality for residue 15 atoms:  CA CG2 OG1 HB
 &rst iat=221,225,229,224, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=219,231,222,223, &end
#
#  chirality for residue 16 atoms:  N C HA2 HA3
 &rst iat=233,238,236,237, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=242,247,245,246, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=240,250,243,244, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=254,259,257,258, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=252,262,255,256, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=266,271,269,270, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=268,274,272,273, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=264,277,267,268, &end
#
#  chirality for residue 20 atoms:  CA CG2 OG1 HB
 &rst iat=281,285,289,284, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=279,291,282,283, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=293,301,296,297, &end
#
#  chirality for residue 22 atoms:  CA CG2 OG1 HB
 &rst iat=305,309,313,308, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=303,315,306,307, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=317,326,320,321, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=330,335,333,334, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=328,340,331,332, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=344,349,347,348, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=342,361,345,346, &end
#
#  chirality for residue 26 atoms:  CA CG2 CG1 HB
 &rst iat=365,369,373,368, &end
#
#  chirality for residue 26 atoms:  CB CD1 HG12 HG13
 &rst iat=367,376,374,375, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=363,380,366,367, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=384,389,387,388, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=382,397,385,386, &end
#
#  chirality for residue 28 atoms:  CA CG2 CG1 HB
 &rst iat=401,405,409,404, &end
#
#  chirality for residue 28 atoms:  CB CD1 HG12 HG13
 &rst iat=403,412,410,411, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=399,416,402,403, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=420,425,423,424, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=422,428,426,427, &end
#
#  chirality for residue 29 atoms:  CG NE HD2 HD3
 &rst iat=425,431,429,430, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=418,440,421,422, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=444,448,452,447, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=446,455,453,454, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=463,468,466,467, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=465,471,469,470, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=461,476,464,465, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=482,488,486,487, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=478,493,481,482, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=497,502,500,501, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=499,505,503,504, &end
#
#  chirality for residue 33 atoms:  CG NE HD2 HD3
 &rst iat=502,508,506,507, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=495,517,498,499, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=519,531,522,523, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=533,538,536,537, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=542,547,545,546, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=544,550,548,549, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=547,553,551,552, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=540,562,543,544, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=566,571,569,570, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=568,574,572,573, &end
#
#  chirality for residue 37 atoms:  CD NZ HE2 HE3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 37 atoms:  CG CE HD2 HD3
 &rst iat=571,577,575,576, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=564,584,567,568, &end
#
#  chirality for residue 38 atoms:  CA CG2 OG1 HB
 &rst iat=588,592,596,591, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=586,598,589,590, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=602,607,605,606, &end
#
#  chirality for residue 39 atoms:  CB CD1 CD2 HG
 &rst iat=604,609,613,608, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=600,617,603,604, &end
#
#  chirality for residue 40 atoms:  CA CG2 OG1 HB
 &rst iat=621,625,629,624, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=619,631,622,623, &end
#
#  chirality for residue 41 atoms:  CA CG2 OG1 HB
 &rst iat=635,639,643,638, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=633,645,636,637, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=649,653,657,652, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=647,661,650,651, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=665,670,668,669, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=667,673,671,672, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=663,678,666,667, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=680,685,683,684, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=689,693,697,692, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=687,701,690,691, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=713,707,711,712, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=710,704,708,709, &end
#
#  chirality for residue 46 atoms:  CG N HD2 HD3
 &rst iat=707,703,705,706, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=703,715,714,710, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=719,724,722,723, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=721,727,725,726, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=717,730,720,721, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=734,739,737,738, &end
#
#  chirality for residue 48 atoms:  CB CD HG2 HG3
 &rst iat=736,742,740,741, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=732,745,735,736, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=749,754,752,753, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=747,766,750,751, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=770,775,773,774, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=768,778,771,772, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=782,787,785,786, &end
#
#  chirality for residue 51 atoms:  CB CD1 CD2 HG
 &rst iat=784,789,793,788, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=780,797,783,784, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=801,806,804,805, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=803,809,807,808, &end
#
#  chirality for residue 52 atoms:  CD NZ HE2 HE3
 &rst iat=809,815,813,814, &end
#
#  chirality for residue 52 atoms:  CG CE HD2 HD3
 &rst iat=806,812,810,811, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=799,819,802,803, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=823,828,826,827, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=825,831,829,830, &end
#
#  chirality for residue 53 atoms:  CG NE HD2 HD3
 &rst iat=828,834,832,833, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=821,843,824,825, &end
#
#  chirality for residue 54 atoms:  CA CG2 CG1 HB
 &rst iat=847,851,855,850, &end
#
#  chirality for residue 54 atoms:  CB CD1 HG12 HG13
 &rst iat=849,858,856,857, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=845,862,848,849, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=866,871,869,870, &end
#
#  chirality for residue 55 atoms:  CB CD1 CD2 HG
 &rst iat=868,873,877,872, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=864,881,867,868, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=885,890,888,889, &end
#
#  chirality for residue 56 atoms:  CB CD HG2 HG3
 &rst iat=887,893,891,892, &end
#
#  chirality for residue 56 atoms:  CD NZ HE2 HE3
 &rst iat=893,899,897,898, &end
#
#  chirality for residue 56 atoms:  CG CE HD2 HD3
 &rst iat=890,896,894,895, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=883,903,886,887, &end
#
#  chirality for residue 57 atoms:  CA CG1 CG2 HB
 &rst iat=907,911,915,910, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=905,919,908,909, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=923,928,926,927, &end
#
#  chirality for residue 58 atoms:  CB CD1 CD2 HG
 &rst iat=925,930,934,929, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=921,938,924,925, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=942,947,945,946, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=950,956,954,955, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=947,953,951,952, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=940,960,943,944, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=964,969,967,968, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=966,972,970,971, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=969,975,973,974, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=962,982,965,966, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=986,991,989,990, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=984,994,987,988, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=998,1003,1001,1002, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=996,1014,999,1000, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1016,1024,1019,1020, &end
#
#  chirality for residue 64 atoms:  CA SG HB2 HB3
 &rst iat=1028,1033,1031,1032, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1026,1035,1029,1030, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1039,1044,1042,1043, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1037,1049,1040,1041, &end
#
#  chirality for residue 66 atoms:  N C HA2 HA3
 &rst iat=1051,1056,1054,1055, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1060,1065,1063,1064, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1058,1070,1061,1062, &end
#
#  chirality for residue 68 atoms:  CA CG2 CG1 HB
 &rst iat=1074,1078,1082,1077, &end
#
#  chirality for residue 68 atoms:  CB CD1 HG12 HG13
 &rst iat=1076,1085,1083,1084, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1072,1089,1075,1076, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1093,1097,1101,1096, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1091,1105,1094,1095, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1109,1114,1112,1113, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1111,1117,1115,1116, &end
#
#  chirality for residue 70 atoms:  CD NZ HE2 HE3
 &rst iat=1117,1123,1121,1122, &end
#
#  chirality for residue 70 atoms:  CG CE HD2 HD3
 &rst iat=1114,1120,1118,1119, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1107,1127,1110,1111, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1131,1136,1134,1135, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1129,1139,1132,1133, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1151,1145,1149,1150, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1148,1142,1146,1147, &end
#
#  chirality for residue 72 atoms:  CG N HD2 HD3
 &rst iat=1145,1141,1143,1144, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1141,1153,1152,1148, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1157,1162,1160,1161, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1159,1165,1163,1164, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1155,1168,1158,1159, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1172,1177,1175,1176, &end
#
#  chirality for residue 74 atoms:  CB SD HG2 HG3
 &rst iat=1174,1180,1178,1179, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1170,1185,1173,1174, &end
#
#  chirality for residue 75 atoms:  N C HA2 HA3
 &rst iat=1187,1192,1190,1191, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1196,1201,1199,1200, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1198,1204,1202,1203, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1194,1207,1197,1198, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1211,1215,1219,1214, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1213,1222,1220,1221, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1209,1226,1212,1213, &end
#
#  chirality for residue 78 atoms:  CA CG2 CG1 HB
 &rst iat=1230,1234,1238,1233, &end
#
#  chirality for residue 78 atoms:  CB CD1 HG12 HG13
 &rst iat=1232,1241,1239,1240, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1228,1245,1231,1232, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1249,1254,1252,1253, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1251,1257,1255,1256, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1247,1262,1250,1251, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1266,1271,1269,1270, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1268,1273,1277,1272, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1264,1281,1267,1268, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1285,1290,1288,1289, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1287,1293,1291,1292, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1283,1298,1286,1287, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1309,1314,1312,1313, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1307,1317,1310,1311, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1321,1326,1324,1325, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1319,1334,1322,1323, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1338,1343,1341,1342, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1340,1346,1344,1345, &end
#
#  chirality for residue 85 atoms:  CG NE HD2 HD3
 &rst iat=1343,1349,1347,1348, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1336,1358,1339,1340, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1360,1368,1363,1364, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1372,1377,1375,1376, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1374,1380,1378,1379, &end
#
#  chirality for residue 87 atoms:  CD NZ HE2 HE3
 &rst iat=1380,1386,1384,1385, &end
#
#  chirality for residue 87 atoms:  CG CE HD2 HD3
 &rst iat=1377,1383,1381,1382, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1370,1390,1373,1374, &end
#
#  chirality for residue 88 atoms:  CA CG1 CG2 HB
 &rst iat=1394,1398,1402,1397, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1392,1406,1395,1396, &end
#
#  chirality for residue 89 atoms:  CA SG HB2 HB3
 &rst iat=1410,1415,1413,1414, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1408,1417,1411,1412, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1421,1426,1424,1425, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1423,1429,1427,1428, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1419,1432,1422,1423, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1436,1441,1439,1440, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1434,1452,1437,1438, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1456,1461,1459,1460, &end
#
#  chirality for residue 92 atoms:  CB SD HG2 HG3
 &rst iat=1458,1464,1462,1463, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1454,1469,1457,1458, &end
#
#  chirality for residue 93 atoms:  CA CG2 CG1 HB
 &rst iat=1473,1477,1481,1476, &end
#
#  chirality for residue 93 atoms:  CB CD1 HG12 HG13
 &rst iat=1475,1484,1482,1483, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1471,1488,1474,1475, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1492,1497,1495,1496, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1490,1499,1493,1494, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1503,1508,1506,1507, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1505,1511,1509,1510, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1501,1516,1504,1505, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1520,1525,1523,1524, &end
#
#  chirality for residue 96 atoms:  CB CD1 CD2 HG
 &rst iat=1522,1527,1531,1526, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1518,1535,1521,1522, &end
#
#  chirality for residue 97 atoms:  N C HA2 HA3
 &rst iat=1537,1542,1540,1541, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1546,1551,1549,1550, &end
#
#  chirality for residue 98 atoms:  CB CD1 CD2 HG
 &rst iat=1548,1553,1557,1552, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1544,1561,1547,1548, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1565,1570,1568,1569, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1567,1573,1571,1572, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1563,1578,1566,1567, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1582,1587,1585,1586, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1584,1590,1588,1589, &end
#
#  chirality for residue 100 atoms:  CD NZ HE2 HE3
 &rst iat=1590,1596,1594,1595, &end
#
#  chirality for residue 100 atoms:  CG CE HD2 HD3
 &rst iat=1587,1593,1591,1592, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1580,1600,1583,1584, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1604,1609,1607,1608, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1606,1612,1610,1611, &end
#
#  chirality for residue 101 atoms:  CD NZ HE2 HE3
 &rst iat=1612,1618,1616,1617, &end
#
#  chirality for residue 101 atoms:  CG CE HD2 HD3
 &rst iat=1609,1615,1613,1614, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1602,1622,1605,1606, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1626,1631,1629,1630, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1624,1636,1627,1628, &end
#
#  chirality for residue 103 atoms:  CA CG2 CG1 HB
 &rst iat=1640,1644,1648,1643, &end
#
#  chirality for residue 103 atoms:  CB CD1 HG12 HG13
 &rst iat=1642,1651,1649,1650, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1638,1655,1641,1642, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1659,1664,1662,1663, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1661,1667,1665,1666, &end
#
#  chirality for residue 104 atoms:  CD NZ HE2 HE3
 &rst iat=1667,1673,1671,1672, &end
#
#  chirality for residue 104 atoms:  CG CE HD2 HD3
 &rst iat=1664,1670,1668,1669, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1657,1677,1660,1661, &end
#
#  chirality for residue 105 atoms:  CA CG2 CG1 HB
 &rst iat=1681,1685,1689,1684, &end
#
#  chirality for residue 105 atoms:  CB CD1 HG12 HG13
 &rst iat=1683,1692,1690,1691, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1679,1696,1682,1683, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1700,1705,1703,1704, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1698,1713,1701,1702, &end
#
#  chirality for residue 107 atoms:  N C HA2 HA3
 &rst iat=1715,1720,1718,1719, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1724,1729,1727,1728, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1722,1740,1725,1726, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=52,50,48,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=67,65,63,52, &end
#
#  trans-omega constraint for residue 6
 &rst iat=81,79,77,67, &end
#
#  trans-omega constraint for residue 7
 &rst iat=100,98,96,81, &end
#
#  trans-omega constraint for residue 8
 &rst iat=122,120,118,100, &end
#
#  trans-omega constraint for residue 9
 &rst iat=133,131,129,122, &end
#
#  trans-omega constraint for residue 10
 &rst iat=153,151,149,133, &end
#
#  trans-omega constraint for residue 11
 &rst iat=173,163,161,153, &end
#
#  trans-omega constraint for residue 12
 &rst iat=179,177,175,173, &end
#
#  trans-omega constraint for residue 13
 &rst iat=199,197,195,179, &end
#
#  trans-omega constraint for residue 14
 &rst iat=209,207,205,199, &end
#
#  trans-omega constraint for residue 15
 &rst iat=221,219,217,209, &end
#
#  trans-omega constraint for residue 16
 &rst iat=235,233,231,221, &end
#
#  trans-omega constraint for residue 17
 &rst iat=242,240,238,235, &end
#
#  trans-omega constraint for residue 18
 &rst iat=254,252,250,242, &end
#
#  trans-omega constraint for residue 19
 &rst iat=266,264,262,254, &end
#
#  trans-omega constraint for residue 20
 &rst iat=281,279,277,266, &end
#
#  trans-omega constraint for residue 21
 &rst iat=295,293,291,281, &end
#
#  trans-omega constraint for residue 22
 &rst iat=305,303,301,295, &end
#
#  trans-omega constraint for residue 23
 &rst iat=319,317,315,305, &end
#
#  trans-omega constraint for residue 24
 &rst iat=330,328,326,319, &end
#
#  trans-omega constraint for residue 25
 &rst iat=344,342,340,330, &end
#
#  trans-omega constraint for residue 26
 &rst iat=365,363,361,344, &end
#
#  trans-omega constraint for residue 27
 &rst iat=384,382,380,365, &end
#
#  trans-omega constraint for residue 28
 &rst iat=401,399,397,384, &end
#
#  trans-omega constraint for residue 29
 &rst iat=420,418,416,401, &end
#
#  trans-omega constraint for residue 30
 &rst iat=444,442,440,420, &end
#
#  trans-omega constraint for residue 31
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 32
 &rst iat=480,478,476,463, &end
#
#  trans-omega constraint for residue 33
 &rst iat=497,495,493,480, &end
#
#  trans-omega constraint for residue 34
 &rst iat=521,519,517,497, &end
#
#  trans-omega constraint for residue 35
 &rst iat=535,533,531,521, &end
#
#  trans-omega constraint for residue 36
 &rst iat=542,540,538,535, &end
#
#  trans-omega constraint for residue 37
 &rst iat=566,564,562,542, &end
#
#  trans-omega constraint for residue 38
 &rst iat=588,586,584,566, &end
#
#  trans-omega constraint for residue 39
 &rst iat=602,600,598,588, &end
#
#  trans-omega constraint for residue 40
 &rst iat=621,619,617,602, &end
#
#  trans-omega constraint for residue 41
 &rst iat=635,633,631,621, &end
#
#  trans-omega constraint for residue 42
 &rst iat=649,647,645,635, &end
#
#  trans-omega constraint for residue 43
 &rst iat=665,663,661,649, &end
#
#  trans-omega constraint for residue 44
 &rst iat=682,680,678,665, &end
#
#  trans-omega constraint for residue 45
 &rst iat=689,687,685,682, &end
#
#  trans-omega constraint for residue 46
 &rst iat=713,703,701,689, &end
#
#  trans-omega constraint for residue 47
 &rst iat=719,717,715,713, &end
#
#  trans-omega constraint for residue 48
 &rst iat=734,732,730,719, &end
#
#  trans-omega constraint for residue 49
 &rst iat=749,747,745,734, &end
#
#  trans-omega constraint for residue 50
 &rst iat=770,768,766,749, &end
#
#  trans-omega constraint for residue 51
 &rst iat=782,780,778,770, &end
#
#  trans-omega constraint for residue 52
 &rst iat=801,799,797,782, &end
#
#  trans-omega constraint for residue 53
 &rst iat=823,821,819,801, &end
#
#  trans-omega constraint for residue 54
 &rst iat=847,845,843,823, &end
#
#  trans-omega constraint for residue 55
 &rst iat=866,864,862,847, &end
#
#  trans-omega constraint for residue 56
 &rst iat=885,883,881,866, &end
#
#  trans-omega constraint for residue 57
 &rst iat=907,905,903,885, &end
#
#  trans-omega constraint for residue 58
 &rst iat=923,921,919,907, &end
#
#  trans-omega constraint for residue 59
 &rst iat=942,940,938,923, &end
#
#  trans-omega constraint for residue 60
 &rst iat=964,962,960,942, &end
#
#  trans-omega constraint for residue 61
 &rst iat=986,984,982,964, &end
#
#  trans-omega constraint for residue 62
 &rst iat=998,996,994,986, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1018,1016,1014,998, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1028,1026,1024,1018, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1039,1037,1035,1028, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1053,1051,1049,1039, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1060,1058,1056,1053, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1074,1072,1070,1060, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1093,1091,1089,1074, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1109,1107,1105,1093, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1131,1129,1127,1109, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1151,1141,1139,1131, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1157,1155,1153,1151, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1172,1170,1168,1157, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1189,1187,1185,1172, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1196,1194,1192,1189, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1211,1209,1207,1196, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1230,1228,1226,1211, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1249,1247,1245,1230, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1266,1264,1262,1249, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1285,1283,1281,1266, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1302,1300,1298,1285, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1309,1307,1305,1302, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1321,1319,1317,1309, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1338,1336,1334,1321, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1362,1360,1358,1338, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1372,1370,1368,1362, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1394,1392,1390,1372, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1410,1408,1406,1394, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1421,1419,1417,1410, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1436,1434,1432,1421, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1456,1454,1452,1436, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1473,1471,1469,1456, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1492,1490,1488,1473, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1503,1501,1499,1492, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1520,1518,1516,1503, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1539,1537,1535,1520, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1546,1544,1542,1539, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1565,1563,1561,1546, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1582,1580,1578,1565, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1604,1602,1600,1582, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1626,1624,1622,1604, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1640,1638,1636,1626, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1659,1657,1655,1640, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1681,1679,1677,1659, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1700,1698,1696,1681, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1717,1715,1713,1700, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1724,1722,1720,1717, &end
#
#   3 ILE  HA      3 ILE  QD1     4.16             (#peak   238 #SUP  1.00  #QF  0.64)
 &rst
  ixpk= 238, nxpk= 0, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
      rk2 = 32.0, rk3 = 32.0, ir6=1, ialtd=0,
 igr2=  45,  46,  47,
 &end
#
#  10 ASP- HA     11  PRO HD2     3.60             (#peak  1613 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1613, nxpk= 0, iat= 154, 165, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  10 ASP- HA     11  PRO HD3     3.60             (#peak  1612 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1612, nxpk= 0, iat= 154, 166, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  11  PRO HA     12 PHE  QD      4.42             (#peak  1603 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1603, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 186, 194,
 &end
#
#  11  PRO HB2    12 PHE  QD      4.84             (#peak  1604 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 1604, nxpk= 0, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 186, 194,
 &end
#
#  11  PRO HB3    12 PHE  QD      4.84             (#peak  1007 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1007, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 186, 194,
 &end
#
#  11  PRO HD2    11  PRO HG2     3.98             (#peak  1611 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1611, nxpk= 0, iat= 165, 168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  11  PRO HD2    11  PRO HG3     3.98             (#peak  1610 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1610, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  11  PRO HD3    11  PRO HG2     3.98             (#peak  1609 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1609, nxpk= 0, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  11  PRO HD3    11  PRO HG3     3.98             (#peak  1608 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1608, nxpk= 0, iat= 166, 169, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  11  PRO QB     12 PHE  QD      4.16             (#peak  1007)
 &rst
  ixpk= 1007, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 171, 172,
 igr2= 186, 194,
 &end
#
#  11  PRO QD     11  PRO QB      3.93             (#peak  1010)
 &rst
  ixpk= 1010, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 165, 166,
 igr2= 171, 172,
 &end
#
#  11  PRO QD     11  PRO QG      2.92             (#peak  1608)
 &rst
  ixpk= 1608, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1= 165, 166,
 igr2= 168, 169,
 &end
#
#  11  PRO QD     12 PHE  HN      4.12             (#peak   784)
 &rst
  ixpk= 784, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 165, 166,
 &end
#
#  11  PRO QG     12 PHE  HN      4.41             (#peak   798)
 &rst
  ixpk= 798, nxpk= 0, iat=  -1, 178, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 168, 169,
 &end
#
#  12 PHE  HN     12 PHE  QB      3.57             (#peak   786)
 &rst
  ixpk= 786, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 182, 183,
 &end
#
#  12 PHE  HN     12 PHE  QD      4.34             (#peak   782 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 782, nxpk= 0, iat= 178,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 186, 194,
 &end
#
#  12 PHE  HN     13 ALA  HN      4.13             (#peak   781 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 781, nxpk= 0, iat= 178, 198, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  13 ALA  HN     13 ALA  QB      3.51             (#peak   779 #SUP  1.00)
 &rst
  ixpk= 779, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 202, 203, 204,
 &end
#
#  13 ALA  QB     14 ASP- HN      4.84             (#peak   774 #SUP  1.00)
 &rst
  ixpk= 774, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 202, 203, 204,
 &end
#
#  15 THR  HA     15 THR  QG2     3.72             (#peak  1592 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1592, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 226, 227, 228,
 &end
#
#  19 GLU- HN     19 GLU- QG      5.02             (#peak   763)
 &rst
  ixpk= 763, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 272, 273,
 &end
#
#  24 ASN  HB2    25 TYR  HN      4.69             (#peak   755 #SUP  1.00)
 &rst
  ixpk= 755, nxpk= 0, iat= 333, 343, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  24 ASN  HB3    25 TYR  HN      4.69             (#peak   754 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 754, nxpk= 0, iat= 334, 343, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  24 ASN  QB     25 TYR  HN      3.89             (#peak   754)
 &rst
  ixpk= 754, nxpk= 0, iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 333, 334,
 &end
#
#  25 TYR  HA     26 ILE  HN      3.22             (#peak   741 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 741, nxpk= 0, iat= 345, 364, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  25 TYR  HB2    26 ILE  HN      4.17             (#peak   748 #SUP  1.00)
 &rst
  ixpk= 748, nxpk= 0, iat= 347, 364, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  25 TYR  HB2    27 HIS  HE1     5.03             (#peak  1623 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1623, nxpk= 0, iat= 347, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  25 TYR  HB3    26 ILE  HN      4.17             (#peak   747 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 747, nxpk= 0, iat= 348, 364, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  25 TYR  HB3    27 HIS  HE1     5.03             (#peak  1624 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1624, nxpk= 0, iat= 348, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  25 TYR  HN     25 TYR  HB2     3.86             (#peak   757 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 757, nxpk= 0, iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  25 TYR  HN     25 TYR  HB3     3.86             (#peak   756 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 756, nxpk= 0, iat= 343, 348, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  25 TYR  HN     25 TYR  QB      3.24             (#peak   757)
 &rst
  ixpk= 757, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 347, 348,
 &end
#
#  25 TYR  HN     25 TYR  QD      3.81             (#peak   752 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 752, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 351, 360,
 &end
#
#  25 TYR  HN     26 ILE  HN      4.64             (#peak   744 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 744, nxpk= 0, iat= 343, 364, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  25 TYR  QB    104 LYS+ HN      5.17             (#peak    30)
 &rst
  ixpk= 30, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 347, 348,
 &end
#
#  25 TYR  QB    104 LYS+ QG      4.06             (#peak    58)
 &rst
  ixpk= 58, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 347, 348,
 igr2=1665,1666,
 &end
#
#  25 TYR  QB     26 ILE  HN      3.44             (#peak   747)
 &rst
  ixpk= 747, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 347, 348,
 &end
#
#  25 TYR  QB     27 HIS  HE1     4.43             (#peak  1623)
 &rst
  ixpk= 1623, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 347, 348,
 &end
#
#  25 TYR  QD    102 ASN  HB3     4.73             (#peak  1579 #SUP  0.47  #QF  0.47)
 &rst
  ixpk= 1579, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD    104 LYS+ HB2     4.98             (#peak  1583 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1583, nxpk= 0, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD    104 LYS+ HB3     5.50             (#peak  1584 #SUP  0.74  #QF  0.47)
 &rst
  ixpk= 1584, nxpk= 0, iat=  -1,1663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD    104 LYS+ HD2     5.50             (#peak  1585 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1585, nxpk= 0, iat=  -1,1668, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD    104 LYS+ HD3     5.50             (#peak  1584 #SUP  0.74  #QF  0.47)
 &rst
  ixpk= 1584, nxpk= 0, iat=  -1,1669, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD    104 LYS+ QD      4.64             (#peak  1585)
 &rst
  ixpk= 1585, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 351, 360,
 igr2=1668,1669,
 &end
#
#  25 TYR  QD    104 LYS+ QG      4.14             (#peak  1586)
 &rst
  ixpk= 1586, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 351, 360,
 igr2=1665,1666,
 &end
#
#  25 TYR  QD     26 ILE  HB      5.50             (#peak  1581 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 1581, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD     26 ILE  HN      4.43             (#peak  1577 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1577, nxpk= 0, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 351, 360,
 &end
#
#  25 TYR  QD     27 HIS  HE1     4.63             (#peak  1630 #SUP  1.00  #QF  0.89)
 &rst
  ixpk= 1630, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 351, 360,
 &end
#
#  25 TYR  QE    104 LYS+ QD      4.95             (#peak  1589)
 &rst
  ixpk= 1589, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 353, 358,
 igr2=1668,1669,
 &end
#
#  25 TYR  QE    104 LYS+ QE      4.03             (#peak  1588 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1588, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 353, 358,
 igr2=1671,1672,
 &end
#
#  26 ILE  HA     26 ILE  HG12    4.11             (#peak  1544 #SUP  0.85  #QF  0.76)
 &rst
  ixpk= 1544, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  26 ILE  HA     26 ILE  HG13    4.11             (#peak  1549 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1549, nxpk= 0, iat= 366, 375, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  26 ILE  HA     26 ILE  QD1     3.88             (#peak  1562 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1562, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 377, 378, 379,
 &end
#
#  26 ILE  HA     26 ILE  QG1     3.59             (#peak  1549)
 &rst
  ixpk= 1549, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2= 374, 375,
 &end
#
#  26 ILE  HA     26 ILE  QG2     3.44             (#peak  1555 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 1555, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 370, 371, 372,
 &end
#
#  26 ILE  HB    103 ILE  HA      3.74             (#peak  1540 #SUP  0.88  #QF  0.74)
 &rst
  ixpk= 1540, nxpk= 0, iat= 368,1641, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  26 ILE  HB    104 LYS+ HN      4.28             (#peak    29 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 29, nxpk= 0, iat= 368,1658, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  26 ILE  HG12   45 VAL  HA      4.17             (#peak  1280 #SUP  0.99  #QF  0.59)
 &rst
  ixpk= 1280, nxpk= 0, iat= 374, 690, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  26 ILE  HG12   46  PRO HD3     4.35             (#peak  1545 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1545, nxpk= 0, iat= 374, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  26 ILE  HG13   45 VAL  HA      4.17             (#peak  1551 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1551, nxpk= 0, iat= 375, 690, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  26 ILE  HG13   46  PRO HD3     4.35             (#peak  1550 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1550, nxpk= 0, iat= 375, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  26 ILE  HN    102 ASN  HB3     4.94             (#peak    99 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 99, nxpk= 0, iat= 364,1630, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  26 ILE  HN    103 ILE  HA      4.30             (#peak   740 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 740, nxpk= 0, iat= 364,1641, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  26 ILE  HN    103 ILE  HN      4.96             (#peak   743 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 743, nxpk= 0, iat= 364,1639, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  26 ILE  HN    103 ILE  QG2     4.34             (#peak   751 #SUP  0.51  #QF  0.51)
 &rst
  ixpk= 751, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1645,1646,1647,
 &end
#
#  26 ILE  HN    104 LYS+ HN      4.40             (#peak    34 #SUP  1.00)
 &rst
  ixpk= 34, nxpk= 0, iat= 364,1658, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  26 ILE  HN     26 ILE  HB      3.30             (#peak   749 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 749, nxpk= 0, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  26 ILE  HN     26 ILE  HG12    4.55             (#peak   750 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 750, nxpk= 0, iat= 364, 374, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  26 ILE  HN     26 ILE  HG13    4.55             (#peak  1548 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1548, nxpk= 0, iat= 364, 375, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  26 ILE  HN     26 ILE  QD1     4.04             (#peak  1560 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1560, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 377, 378, 379,
 &end
#
#  26 ILE  HN     26 ILE  QG2     4.35             (#peak  1553 #SUP  1.00)
 &rst
  ixpk= 1553, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2= 370, 371, 372,
 &end
#
#  26 ILE  HN     27 HIS  HN      4.90             (#peak   728 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 728, nxpk= 0, iat= 364, 383, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  26 ILE  QD1   102 ASN  HB2     4.88             (#peak    93 #SUP  0.99  #QF  0.58)
 &rst
  ixpk= 93, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1   102 ASN  HB3     4.31             (#peak  1566 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 1566, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1    45 VAL  HA      3.56             (#peak  1564 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1564, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1    45 VAL  HN      5.42             (#peak  1561 #SUP  1.00)
 &rst
  ixpk= 1561, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1    46  PRO HD2     3.93             (#peak  1565 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1565, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1    46  PRO HD3     3.48             (#peak  1563 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1563, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QD1    92 MET  HG3     4.54             (#peak  1567 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1567, nxpk= 0, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 377, 378, 379,
 &end
#
#  26 ILE  QG1    27 HIS  HN      4.46             (#peak   738)
 &rst
  ixpk= 738, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 374, 375,
 &end
#
#  26 ILE  QG1    45 VAL  HA      3.36             (#peak  1280)
 &rst
  ixpk= 1280, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 374, 375,
 &end
#
#  26 ILE  QG1    46  PRO HD2     4.81             (#peak  1547)
 &rst
  ixpk= 1547, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 374, 375,
 &end
#
#  26 ILE  QG2    27 HIS  HA      4.28             (#peak  1518 #SUP  0.84  #QF  0.73)
 &rst
  ixpk= 1518, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    27 HIS  HB2     5.19             (#peak  1528 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1528, nxpk= 0, iat=  -1, 387, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    27 HIS  HB3     5.47             (#peak  1530 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1530, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    27 HIS  HN      3.37             (#peak   739 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 739, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    28 ILE  HN      4.27             (#peak   727 #SUP  1.00  #QF  0.64)
 &rst
  ixpk= 727, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    45 VAL  HA      4.40             (#peak  1556 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1556, nxpk= 0, iat=  -1, 690, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    45 VAL  HN      4.09             (#peak   801 #SUP  0.79  #QF  0.57)
 &rst
  ixpk= 801, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    46  PRO HD3     5.33             (#peak  1557 #SUP  1.00)
 &rst
  ixpk= 1557, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 370, 371, 372,
 &end
#
#  26 ILE  QG2    92 MET  HG3     3.55             (#peak   316 #SUP  0.47  #QF  0.47)
 &rst
  ixpk= 316, nxpk= 0, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 370, 371, 372,
 &end
#
#  27 HIS  HA    103 ILE  QG2     4.72             (#peak  1518 #SUP  0.84  #QF  0.73)
 &rst
  ixpk= 1518, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1645,1646,1647,
 &end
#
#  27 HIS  HA    104 LYS+ HB2     4.05             (#peak  1517 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1517, nxpk= 0, iat= 385,1662, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  27 HIS  HA    104 LYS+ HB3     4.41             (#peak  1516 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 1516, nxpk= 0, iat= 385,1663, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  27 HIS  HA    104 LYS+ HN      3.99             (#peak    33 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 33, nxpk= 0, iat= 385,1658, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  27 HIS  HA    106 HIS  HD2     4.20             (#peak    30 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 30, nxpk= 0, iat= 385,1712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  27 HIS  HA     28 ILE  HB      4.95             (#peak  1514 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1514, nxpk= 0, iat= 385, 404, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  27 HIS  HA     28 ILE  HN      3.04             (#peak   717 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 717, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  27 HIS  HA     28 ILE  QG1     4.46             (#peak  1515)
 &rst
  ixpk= 1515, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 410, 411,
 &end
#
#  27 HIS  HA     43 GLN  HN      5.22             (#peak  1509 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1509, nxpk= 0, iat= 385, 664, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  27 HIS  HB2    28 ILE  HN      4.78             (#peak   720 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 720, nxpk= 0, iat= 387, 400, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  27 HIS  HB2    29 ARG+ QG      4.86             (#peak  1529)
 &rst
  ixpk= 1529, nxpk= 0, iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 426, 427,
 &end
#
#  27 HIS  HB2    43 GLN  HB2     5.14             (#peak  1531 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1531, nxpk= 0, iat= 387, 668, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  27 HIS  HB2    43 GLN  HB3     3.97             (#peak  1532 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1532, nxpk= 0, iat= 387, 669, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  27 HIS  HB2    43 GLN  HN      4.48             (#peak   632 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 632, nxpk= 0, iat= 387, 664, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  27 HIS  HB3   104 LYS+ HB3     5.50             (#peak  1523 #SUP  0.89  #QF  0.74)
 &rst
  ixpk= 1523, nxpk= 0, iat= 388,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 HIS  HB3   106 HIS  HD2     4.13             (#peak    28 #SUP  0.94  #QF  0.92)
 &rst
  ixpk= 28, nxpk= 0, iat= 388,1712, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  27 HIS  HB3    28 ILE  HN      4.41             (#peak   721 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 721, nxpk= 0, iat= 388, 400, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  27 HIS  HB3    29 ARG+ HN      5.50             (#peak   708 #SUP  0.87  #QF  0.58)
 &rst
  ixpk= 708, nxpk= 0, iat= 388, 419, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 HIS  HB3    29 ARG+ QG      5.01             (#peak  1523)
 &rst
  ixpk= 1523, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 426, 427,
 &end
#
#  27 HIS  HD2    43 GLN  HB3     4.46             (#peak  1538 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1538, nxpk= 0, iat= 396, 669, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  27 HIS  HD2    43 GLN  QG      4.39             (#peak  1537)
 &rst
  ixpk= 1537, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 671, 672,
 &end
#
#  27 HIS  HD2    44 GLY  HA3     4.57             (#peak  1534 #SUP  0.81  #QF  0.45)
 &rst
  ixpk= 1534, nxpk= 0, iat= 396, 684, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  27 HIS  HE1   104 LYS+ QE      5.21             (#peak  1629 #SUP  0.99  #QF  0.32)
 &rst
  ixpk= 1629, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1671,1672,
 &end
#
#  27 HIS  HE1   104 LYS+ QG      4.24             (#peak  1625)
 &rst
  ixpk= 1625, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1665,1666,
 &end
#
#  27 HIS  HN     27 HIS  HB2     3.56             (#peak   732 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 732, nxpk= 0, iat= 383, 387, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  27 HIS  HN     27 HIS  HB3     3.92             (#peak   733 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 733, nxpk= 0, iat= 383, 388, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  27 HIS  HN     27 HIS  HD2     3.98             (#peak   729 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 729, nxpk= 0, iat= 383, 396, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  27 HIS  HN     28 ILE  QG1     5.34             (#peak   737)
 &rst
  ixpk= 737, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 410, 411,
 &end
#
#  27 HIS  HN     42 VAL  QG1     4.23             (#peak  1325 #SUP  1.00  #QF  0.41)
 &rst
  ixpk= 1325, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 654, 655, 656,
 &end
#
#  27 HIS  HN     43 GLN  HB2     5.50             (#peak   736 #SUP  1.00)
 &rst
  ixpk= 736, nxpk= 0, iat= 383, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  27 HIS  HN     43 GLN  HB3     4.34             (#peak   735 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 735, nxpk= 0, iat= 383, 669, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  27 HIS  HN     43 GLN  HN      3.81             (#peak   629 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 629, nxpk= 0, iat= 383, 664, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  27 HIS  HN     43 GLN  QG      5.34             (#peak   734)
 &rst
  ixpk= 734, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 671, 672,
 &end
#
#  27 HIS  HN     44 GLY  HA3     3.50             (#peak   731 #SUP  0.25  #QF  0.25)
 &rst
  ixpk= 731, nxpk= 0, iat= 383, 684, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  28 ILE  HA     28 ILE  HG12    4.19             (#peak  1483 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1483, nxpk= 0, iat= 402, 410, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  28 ILE  HA     28 ILE  HG13    4.19             (#peak  1494 #SUP  1.00)
 &rst
  ixpk= 1494, nxpk= 0, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  28 ILE  HA     28 ILE  QD1     4.22             (#peak  1505 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1505, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 413, 414, 415,
 &end
#
#  28 ILE  HA     28 ILE  QG1     3.65             (#peak  1483)
 &rst
  ixpk= 1483, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 410, 411,
 &end
#
#  28 ILE  HA     28 ILE  QG2     3.37             (#peak  1484 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1484, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2= 406, 407, 408,
 &end
#
#  28 ILE  HA     29 ARG+ HN      2.98             (#peak   704 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 704, nxpk= 0, iat= 402, 419, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  28 ILE  HA     42 VAL  HA      4.06             (#peak  1481 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1481, nxpk= 0, iat= 402, 650, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  28 ILE  HA     42 VAL  QG1     4.50             (#peak  1327 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1327, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 654, 655, 656,
 &end
#
#  28 ILE  HA     42 VAL  QG2     3.67             (#peak  1485 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 1485, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 658, 659, 660,
 &end
#
#  28 ILE  HA     43 GLN  HN      4.62             (#peak   630 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 630, nxpk= 0, iat= 402, 664, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  28 ILE  HB    105 ILE  HA      4.00             (#peak  1489 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 1489, nxpk= 0, iat= 404,1682, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  28 ILE  HB    106 HIS  HN      4.50             (#peak    11 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 11, nxpk= 0, iat= 404,1699, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  28 ILE  HB     28 ILE  QD1     3.22             (#peak  1491 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1491, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 413, 414, 415,
 &end
#
#  28 ILE  HB     29 ARG+ HN      4.76             (#peak   709 #SUP  1.00)
 &rst
  ixpk= 709, nxpk= 0, iat= 404, 419, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  28 ILE  HN    104 LYS+ HB2     4.64             (#peak   724 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 724, nxpk= 0, iat= 400,1662, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  28 ILE  HN    104 LYS+ HB3     5.35             (#peak    53 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 53, nxpk= 0, iat= 400,1663, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  28 ILE  HN    105 ILE  HA      4.20             (#peak   719 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 719, nxpk= 0, iat= 400,1682, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  28 ILE  HN    106 HIS  HD2     3.87             (#peak   716 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 716, nxpk= 0, iat= 400,1712, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  28 ILE  HN    106 HIS  HN      4.70             (#peak    17 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 17, nxpk= 0, iat= 400,1699, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  28 ILE  HN     28 ILE  HB      3.60             (#peak   722 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 722, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  28 ILE  HN     28 ILE  HG12    4.06             (#peak   723 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 723, nxpk= 0, iat= 400, 410, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  28 ILE  HN     28 ILE  HG13    4.06             (#peak   726 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 726, nxpk= 0, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  28 ILE  HN     28 ILE  QD1     4.32             (#peak  1504 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1504, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 413, 414, 415,
 &end
#
#  28 ILE  HN     28 ILE  QG1     3.57             (#peak   723)
 &rst
  ixpk= 723, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 410, 411,
 &end
#
#  28 ILE  HN     28 ILE  QG2     4.47             (#peak  1496 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1496, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 406, 407, 408,
 &end
#
#  28 ILE  HN     29 ARG+ HN      4.40             (#peak   703 #SUP  1.00  #QF  0.49)
 &rst
  ixpk= 703, nxpk= 0, iat= 400, 419, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  28 ILE  HN     29 ARG+ QG      5.34             (#peak   725)
 &rst
  ixpk= 725, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 426, 427,
 &end
#
#  28 ILE  QD1    85 ARG+ HA      3.85             (#peak   481 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 481, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    88 VAL  HA      4.87             (#peak   421 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 421, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    88 VAL  HB      3.53             (#peak   435 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 435, nxpk= 0, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    88 VAL  HN      4.40             (#peak   286 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 286, nxpk= 0, iat=  -1,1393, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    89 CYS  HA      3.45             (#peak   399 #SUP  0.95  #QF  0.81)
 &rst
  ixpk= 399, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    89 CYS  HB2     3.47             (#peak   408 #SUP  0.93  #QF  0.78)
 &rst
  ixpk= 408, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    89 CYS  HB3     4.06             (#peak   413 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 413, nxpk= 0, iat=  -1,1414, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QD1    89 CYS  HN      3.71             (#peak   213 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 213, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 413, 414, 415,
 &end
#
#  28 ILE  QG2    28 ILE  QD1     2.40             (#peak   274 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 274, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1= 406, 407, 408,
 igr2= 413, 414, 415,
 &end
#
#  28 ILE  QG2    29 ARG+ HN      3.58             (#peak   713 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 713, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    40 THR  HA      4.55             (#peak  1499 #SUP  0.24  #QF  0.24)
 &rst
  ixpk= 1499, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    41 THR  HN      4.94             (#peak  1496 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1496, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    84 GLN  HA      5.50             (#peak   513 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 513, nxpk= 0, iat=  -1,1322, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    85 ARG+ HA      3.05             (#peak   482 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 482, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    85 ARG+ HD2     4.83             (#peak  1503 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1503, nxpk= 0, iat=  -1,1347, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    85 ARG+ HD3     4.83             (#peak  1502 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1502, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    85 ARG+ HN      4.29             (#peak   812 #SUP  0.81  #QF  0.60)
 &rst
  ixpk= 812, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 406, 407, 408,
 &end
#
#  28 ILE  QG2    85 ARG+ QB      4.10             (#peak   493)
 &rst
  ixpk= 493, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 406, 407, 408,
 igr2=1341,1342,
 &end
#
#  28 ILE  QG2    85 ARG+ QD      4.21             (#peak  1502)
 &rst
  ixpk= 1502, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 406, 407, 408,
 igr2=1347,1348,
 &end
#
#  28 ILE  QG2    85 ARG+ QG      4.38             (#peak  1708)
 &rst
  ixpk= 1708, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 406, 407, 408,
 igr2=1344,1345,
 &end
#
#  28 ILE  QG2    89 CYS  HN      4.75             (#peak  1497 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1497, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 406, 407, 408,
 &end
#
#  29 ARG+ HA    106 HIS  HB2     4.38             (#peak    21 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 21, nxpk= 0, iat= 421,1703, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  29 ARG+ HA    106 HIS  HB3     4.38             (#peak    22 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 22, nxpk= 0, iat= 421,1704, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  29 ARG+ HA    106 HIS  HD2     5.00             (#peak    31 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 31, nxpk= 0, iat= 421,1712, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ARG+ HA    106 HIS  HN      4.10             (#peak    14 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 14, nxpk= 0, iat= 421,1699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  29 ARG+ HA    106 HIS  QB      3.80             (#peak    21)
 &rst
  ixpk= 21, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1703,1704,
 &end
#
#  29 ARG+ HA     30 ILE  HN      3.34             (#peak   795 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 795, nxpk= 0, iat= 421, 443, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  29 ARG+ HB2    29 ARG+ HD2     4.22             (#peak  1477 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1477, nxpk= 0, iat= 423, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 ARG+ HB2    29 ARG+ HD3     4.22             (#peak  1474 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1474, nxpk= 0, iat= 423, 430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 ARG+ HB2    30 ILE  HN      4.72             (#peak  1461 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1461, nxpk= 0, iat= 423, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  29 ARG+ HB3    29 ARG+ HD2     4.22             (#peak  1706 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1706, nxpk= 0, iat= 424, 429, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 ARG+ HB3    29 ARG+ HD3     4.22             (#peak  1475 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1475, nxpk= 0, iat= 424, 430, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  29 ARG+ HB3    30 ILE  HN      4.72             (#peak  1463 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1463, nxpk= 0, iat= 424, 443, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  29 ARG+ HG2   106 HIS  HN      5.50             (#peak     8 #SUP  0.79  #QF  0.57)
 &rst
  ixpk= 8, nxpk= 0, iat= 426,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ARG+ HG3   106 HIS  HN      5.50             (#peak     8 #SUP  0.79  #QF  0.57)
 &rst
  ixpk= 8, nxpk= 0, iat= 427,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ARG+ HN     29 ARG+ HB2     4.13             (#peak   710 #SUP  1.00)
 &rst
  ixpk= 710, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  29 ARG+ HN     29 ARG+ HB3     4.13             (#peak   711 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 711, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  29 ARG+ HN     29 ARG+ HD2     5.50             (#peak   707 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 707, nxpk= 0, iat= 419, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ARG+ HN     29 ARG+ HD3     5.50             (#peak   708 #SUP  0.87  #QF  0.58)
 &rst
  ixpk= 708, nxpk= 0, iat= 419, 430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 ARG+ HN     29 ARG+ HG2     4.65             (#peak   712 #SUP  0.78  #QF  0.60)
 &rst
  ixpk= 712, nxpk= 0, iat= 419, 426, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  29 ARG+ HN     29 ARG+ HG3     4.65             (#peak   712 #SUP  0.78  #QF  0.60)
 &rst
  ixpk= 712, nxpk= 0, iat= 419, 427, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  29 ARG+ HN     29 ARG+ QB      3.46             (#peak   711)
 &rst
  ixpk= 711, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 423, 424,
 &end
#
#  29 ARG+ HN     29 ARG+ QD      4.71             (#peak   707)
 &rst
  ixpk= 707, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 429, 430,
 &end
#
#  29 ARG+ HN     29 ARG+ QG      3.86             (#peak   712)
 &rst
  ixpk= 712, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 426, 427,
 &end
#
#  29 ARG+ HN     40 THR  QG2     4.21             (#peak  1373 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 1373, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 626, 627, 628,
 &end
#
#  29 ARG+ HN     41 THR  HB      5.03             (#peak   706 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 706, nxpk= 0, iat= 419, 638, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  29 ARG+ HN     41 THR  HN      3.95             (#peak   659 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 659, nxpk= 0, iat= 419, 634, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  29 ARG+ HN     42 VAL  HA      4.51             (#peak   804 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 804, nxpk= 0, iat= 419, 650, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  29 ARG+ HN     42 VAL  QG2     4.46             (#peak   714 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 714, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 658, 659, 660,
 &end
#
#  29 ARG+ QB     29 ARG+ QD      3.23             (#peak  1477)
 &rst
  ixpk= 1477, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 423, 424,
 igr2= 429, 430,
 &end
#
#  29 ARG+ QB     30 ILE  HN      3.99             (#peak  1461)
 &rst
  ixpk= 1461, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 423, 424,
 &end
#
#  29 ARG+ QB     41 THR  HB      4.39             (#peak  1341)
 &rst
  ixpk= 1341, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 423, 424,
 &end
#
#  29 ARG+ QB     41 THR  HN      4.56             (#peak   662)
 &rst
  ixpk= 662, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 423, 424,
 &end
#
#  29 ARG+ QG    106 HIS  HD2     3.70             (#peak    27)
 &rst
  ixpk= 27, nxpk= 0, iat=  -1,1712, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 426, 427,
 &end
#
#  29 ARG+ QG    106 HIS  HN      4.75             (#peak     8)
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1699, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 426, 427,
 &end
#
#  29 ARG+ QG    106 HIS  QB      3.90             (#peak    19)
 &rst
  ixpk= 19, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 426, 427,
 igr2=1703,1704,
 &end
#
#  30 ILE  HA     30 ILE  QD1     4.07             (#peak  1455 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1455, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 456, 457, 458,
 &end
#
#  30 ILE  HA     30 ILE  QG1     3.68             (#peak  1446)
 &rst
  ixpk= 1446, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 453, 454,
 &end
#
#  30 ILE  HA     30 ILE  QG2     3.71             (#peak  1435 #SUP  1.00)
 &rst
  ixpk= 1435, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 449, 450, 451,
 &end
#
#  30 ILE  HA     31 GLN  HN      3.11             (#peak   688 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 688, nxpk= 0, iat= 445, 462, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  30 ILE  HA     40 THR  HA      2.70             (#peak  1710 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1710, nxpk= 0, iat= 445, 622, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#  30 ILE  HA     41 THR  HN      4.48             (#peak  1429 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1429, nxpk= 0, iat= 445, 634, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  30 ILE  HB    108 PHE  QB      4.07             (#peak  1437)
 &rst
  ixpk= 1437, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2=1727,1728,
 &end
#
#  30 ILE  HB     30 ILE  QD1     3.64             (#peak  1440 #SUP  1.00)
 &rst
  ixpk= 1440, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 456, 457, 458,
 &end
#
#  30 ILE  HB     31 GLN  HN      4.02             (#peak  1173 #SUP  0.98  #QF  0.32)
 &rst
  ixpk= 1173, nxpk= 0, iat= 447, 462, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  30 ILE  HB     40 THR  HA      5.50             (#peak  1704 #SUP  0.99  #QF  0.93)
 &rst
  ixpk= 1704, nxpk= 0, iat= 447, 622, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 ILE  HN    106 HIS  QB      4.61             (#peak   699)
 &rst
  ixpk= 699, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2=1703,1704,
 &end
#
#  30 ILE  HN     30 ILE  QD1     4.52             (#peak   701 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 701, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 456, 457, 458,
 &end
#
#  30 ILE  HN     30 ILE  QG1     3.69             (#peak   700)
 &rst
  ixpk= 700, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 453, 454,
 &end
#
#  30 ILE  HN     30 ILE  QG2     3.97             (#peak  1450 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1450, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 449, 450, 451,
 &end
#
#  30 ILE  HN     31 GLN  HN      4.77             (#peak   687 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 687, nxpk= 0, iat= 443, 462, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  30 ILE  QD1   107 GLY  HA2     4.46             (#peak    17 #SUP  0.37  #QF  0.37)
 &rst
  ixpk= 17, nxpk= 0, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1   107 GLY  HA3     4.46             (#peak    18 #SUP  0.49  #QF  0.49)
 &rst
  ixpk= 18, nxpk= 0, iat=  -1,1719, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1   107 GLY  QA      3.81             (#peak    18)
 &rst
  ixpk= 18, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 456, 457, 458,
 igr2=1718,1719,
 &end
#
#  30 ILE  QD1   108 PHE  HA      5.50  (#SUP  0.90  #QF  0.41)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1   108 PHE  HN      4.56  (#SUP  0.97  #QF  0.43)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1   108 PHE  HZ      5.50             (#peak    14 #SUP  0.77  #QF  0.37)
 &rst
  ixpk= 14, nxpk= 0, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1   108 PHE  QD      4.14             (#peak  1453 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1453, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 456, 457, 458,
 igr2=1731,1739,
 &end
#
#  30 ILE  QD1    31 GLN  HN      5.00             (#peak  1451 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1451, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    40 THR  HG1     4.61             (#peak  1454 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1454, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    83 ASP- HA      3.83             (#peak  1456 #SUP  0.97  #QF  0.96)
 &rst
  ixpk= 1456, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    83 ASP- HB2     4.36             (#peak  1459 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1459, nxpk= 0, iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    83 ASP- HB3     4.36             (#peak  1458 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1458, nxpk= 0, iat=  -1,1313, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    83 ASP- QB      3.61             (#peak  1459)
 &rst
  ixpk= 1459, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 456, 457, 458,
 igr2=1312,1313,
 &end
#
#  30 ILE  QD1    84 GLN  HN      4.85             (#peak  1452 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1452, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    85 ARG+ HN      4.71             (#peak   237 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 237, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 456, 457, 458,
 &end
#
#  30 ILE  QD1    85 ARG+ QD      3.97             (#peak  1457)
 &rst
  ixpk= 1457, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 456, 457, 458,
 igr2=1347,1348,
 &end
#
#  30 ILE  QG1    31 GLN  HN      4.14             (#peak   693)
 &rst
  ixpk= 693, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 453, 454,
 &end
#
#  30 ILE  QG1    85 ARG+ QD      4.26             (#peak  1695)
 &rst
  ixpk= 1695, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 453, 454,
 igr2=1347,1348,
 &end
#
#  30 ILE  QG2   108 PHE  HA      5.50  (#SUP  0.90  #QF  0.41)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1725, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 449, 450, 451,
 &end
#
#  30 ILE  QG2   108 PHE  HZ      5.50             (#peak    14 #SUP  0.77  #QF  0.37)
 &rst
  ixpk= 14, nxpk= 0, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 449, 450, 451,
 &end
#
#  30 ILE  QG2   108 PHE  QD      4.83             (#peak    10 #SUP  1.00  #QF  0.88)
 &rst
  ixpk= 10, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 449, 450, 451,
 igr2=1731,1739,
 &end
#
#  30 ILE  QG2    31 GLN  HN      4.09             (#peak   696 #SUP  1.00)
 &rst
  ixpk= 696, nxpk= 0, iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 449, 450, 451,
 &end
#
#  30 ILE  QG2    40 THR  HA      4.00             (#peak  1359 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1359, nxpk= 0, iat=  -1, 622, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 449, 450, 451,
 &end
#
#  30 ILE  QG2    83 ASP- HA      4.99             (#peak   551 #SUP  0.99  #QF  0.86)
 &rst
  ixpk= 551, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 449, 450, 451,
 &end
#
#  31 GLN  HB2    39 LEU  HB2     4.49             (#peak  1395 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1395, nxpk= 0, iat= 466, 605, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  31 GLN  HB3    39 LEU  HB2     4.49             (#peak  1394 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 1394, nxpk= 0, iat= 467, 605, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  31 GLN  HN     31 GLN  QB      3.69             (#peak   691)
 &rst
  ixpk= 691, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 466, 467,
 &end
#
#  31 GLN  HN     31 GLN  QG      4.23             (#peak   689 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 689, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 469, 470,
 &end
#
#  31 GLN  HN     38 THR  QG2     4.45             (#peak  1423 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1423, nxpk= 0, iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 593, 594, 595,
 &end
#
#  31 GLN  HN     39 LEU  HN      3.92             (#peak   686 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 686, nxpk= 0, iat= 462, 601, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  31 GLN  HN     40 THR  HA      4.46             (#peak  1355 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 1355, nxpk= 0, iat= 462, 622, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  31 GLN  QB     39 LEU  HB2     3.86             (#peak  1395)
 &rst
  ixpk= 1395, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 466, 467,
 &end
#
#  31 GLN  QB     39 LEU  HB3     4.24             (#peak  1396)
 &rst
  ixpk= 1396, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 466, 467,
 &end
#
#  31 GLN  QB     39 LEU  HN      4.68             (#peak   679)
 &rst
  ixpk= 679, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 466, 467,
 &end
#
#  31 GLN  QG     39 LEU  HB2     4.63             (#peak  1393 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 1393, nxpk= 0, iat=  -1, 605, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 469, 470,
 &end
#
#  31 GLN  QG     39 LEU  HB3     5.50             (#peak  1392 #SUP  0.81  #QF  0.58)
 &rst
  ixpk= 1392, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 469, 470,
 &end
#
#  31 GLN  QG     39 LEU  HN      4.94             (#peak   678 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 678, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 469, 470,
 &end
#
#  32 GLN  QE2    74 MET  QE      4.48             (#peak   737)
 &rst
  ixpk= 737, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 491, 492,
 igr2=1182,1183,1184,
 &end
#
#  33 ARG+ QB     33 ARG+ QD      3.19             (#peak   509)
 &rst
  ixpk= 509, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 500, 501,
 igr2= 506, 507,
 &end
#
#  36 ARG+ QB     36 ARG+ QD      3.77             (#peak  1684 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1684, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 545, 546,
 igr2= 551, 552,
 &end
#
#  38 THR  HA     38 THR  QG2     4.20             (#peak  1421 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1421, nxpk= 0, iat= 589,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 593, 594, 595,
 &end
#
#  38 THR  HA     39 LEU  HN      3.46             (#peak   797 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 797, nxpk= 0, iat= 589, 601, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  38 THR  HB     39 LEU  HN      4.52             (#peak   677 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 677, nxpk= 0, iat= 591, 601, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  38 THR  HB     82 GLY  HN      4.63             (#peak  1416 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1416, nxpk= 0, iat= 591,1301, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  38 THR  QG2    39 LEU  HA      4.45             (#peak  1419 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1419, nxpk= 0, iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 593, 594, 595,
 &end
#
#  38 THR  QG2    39 LEU  HN      3.86             (#peak   681 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 681, nxpk= 0, iat=  -1, 601, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 593, 594, 595,
 &end
#
#  38 THR  QG2    82 GLY  HN      4.61             (#peak   285 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 285, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 593, 594, 595,
 &end
#
#  38 THR  QG2    83 ASP- HA      4.22             (#peak  1420 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 1420, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 593, 594, 595,
 &end
#
#  38 THR  QG2    83 ASP- QB      3.81             (#peak  1019)
 &rst
  ixpk= 1019, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 593, 594, 595,
 igr2=1312,1313,
 &end
#
#  39 LEU  HA     39 LEU  QD2     3.39             (#peak  1405 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1405, nxpk= 0, iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 614, 615, 616,
 &end
#
#  39 LEU  HA     40 THR  HG1     4.68             (#peak  1383 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 1383, nxpk= 0, iat= 603, 630, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  39 LEU  HA     40 THR  HN      3.15             (#peak   668 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 668, nxpk= 0, iat= 603, 620, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  39 LEU  HA     81 GLN  HA      3.89             (#peak   564 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 564, nxpk= 0, iat= 603,1286, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  39 LEU  HA     82 GLY  HN      3.57             (#peak   280 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 280, nxpk= 0, iat= 603,1301, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  39 LEU  HB2    39 LEU  QD1     3.33             (#peak  1413 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 1413, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 610, 611, 612,
 &end
#
#  39 LEU  HB2    40 THR  HN      4.43             (#peak  1388 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 1388, nxpk= 0, iat= 605, 620, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  39 LEU  HB2    41 THR  QG2     4.58             (#peak  1397 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 1397, nxpk= 0, iat= 605,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 640, 641, 642,
 &end
#
#  39 LEU  HB3    39 LEU  QD1     3.66             (#peak  1400 #SUP  0.98  #QF  0.92)
 &rst
  ixpk= 1400, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 610, 611, 612,
 &end
#
#  39 LEU  HB3    39 LEU  QD2     3.91             (#peak  1400 #SUP  0.98  #QF  0.92)
 &rst
  ixpk= 1400, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 614, 615, 616,
 &end
#
#  39 LEU  HB3    40 THR  HN      3.91             (#peak   671 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 671, nxpk= 0, iat= 606, 620, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  39 LEU  HB3    41 THR  QG2     4.57             (#peak  1398 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1398, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 640, 641, 642,
 &end
#
#  39 LEU  HB3    79 GLN  HA      3.99             (#peak   615 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 615, nxpk= 0, iat= 606,1250, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  39 LEU  HB3    79 GLN  HG2     4.73             (#peak   641 #SUP  0.95  #QF  0.84)
 &rst
  ixpk= 641, nxpk= 0, iat= 606,1255, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  39 LEU  HB3    79 GLN  HG3     5.50             (#peak  1392 #SUP  0.81  #QF  0.58)
 &rst
  ixpk= 1392, nxpk= 0, iat= 606,1256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 LEU  HB3    80 LEU  HN      3.83             (#peak   304 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 304, nxpk= 0, iat= 606,1265, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  39 LEU  HN     39 LEU  HB2     3.96             (#peak   680 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 680, nxpk= 0, iat= 601, 605, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  39 LEU  HN     39 LEU  HG      4.63             (#peak  1401 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1401, nxpk= 0, iat= 601, 608, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  39 LEU  QD1    79 GLN  HA      4.94             (#peak  1410 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 1410, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 610, 611, 612,
 &end
#
#  39 LEU  QD1    79 GLN  HG3     4.60             (#peak  1414 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1414, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 610, 611, 612,
 &end
#
#  39 LEU  QD1    79 GLN  QB      3.58             (#peak   624 #SUP  0.97  #QF  0.92)
 &rst
  ixpk= 624, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 610, 611, 612,
 igr2=1252,1253,
 &end
#
#  39 LEU  QD1    79 GLN  QE2     4.36             (#peak  1409)
 &rst
  ixpk= 1409, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 610, 611, 612,
 igr2=1260,1261,
 &end
#
#  39 LEU  QD1    81 GLN  HA      4.89             (#peak  1411 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1411, nxpk= 0, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 610, 611, 612,
 &end
#
#  39 LEU  QD2    40 THR  HN      4.45             (#peak   673 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 673, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 614, 615, 616,
 &end
#
#  39 LEU  QD2    81 GLN  HA      3.42             (#peak  1406 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1406, nxpk= 0, iat=  -1,1286, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 614, 615, 616,
 &end
#
#  39 LEU  QD2    81 GLN  HN      4.35             (#peak  1404 #SUP  1.00  #QF  0.86)
 &rst
  ixpk= 1404, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 614, 615, 616,
 &end
#
#  39 LEU  QD2    81 GLN  QG      4.05             (#peak  1407)
 &rst
  ixpk= 1407, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 614, 615, 616,
 igr2=1291,1292,
 &end
#
#  39 LEU  QD2    82 GLY  HN      4.23             (#peak   286 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 286, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 614, 615, 616,
 &end
#
#  40 THR  HA     40 THR  QG2     3.31             (#peak  1377 #SUP  1.00)
 &rst
  ixpk= 1377, nxpk= 0, iat= 622,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 626, 627, 628,
 &end
#
#  40 THR  HA     41 THR  HN      3.05             (#peak   658 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 658, nxpk= 0, iat= 622, 634, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  40 THR  HA     80 LEU  HB3     5.50             (#peak  1704 #SUP  0.99  #QF  0.93)
 &rst
  ixpk= 1704, nxpk= 0, iat= 622,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 THR  HB     41 THR  HN      4.99             (#peak   661 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 661, nxpk= 0, iat= 624, 634, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  40 THR  HB     80 LEU  HB2     3.99             (#peak   583 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 583, nxpk= 0, iat= 624,1269, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  40 THR  HB     80 LEU  HB3     3.33             (#peak  1368 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1368, nxpk= 0, iat= 624,1270, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  40 THR  HB     80 LEU  HN      4.03             (#peak  1360 #SUP  0.99  #QF  0.94)
 &rst
  ixpk= 1360, nxpk= 0, iat= 624,1265, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  40 THR  HB     80 LEU  QD1     5.07             (#peak   600 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 600, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1274,1275,1276,
 &end
#
#  40 THR  HB     80 LEU  QD2     3.93             (#peak  1370 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1370, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1278,1279,1280,
 &end
#
#  40 THR  HB     84 GLN  HB2     4.56             (#peak  1365 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1365, nxpk= 0, iat= 624,1324, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  40 THR  HB     84 GLN  HB3     5.44             (#peak   546 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 546, nxpk= 0, iat= 624,1325, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  40 THR  HB     84 GLN  HE21    5.50             (#peak  1362 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1362, nxpk= 0, iat= 624,1332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  40 THR  HB     84 GLN  HG2     4.88             (#peak   547 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 547, nxpk= 0, iat= 624,1327, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  40 THR  HB     84 GLN  HG3     4.88             (#peak  1367 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1367, nxpk= 0, iat= 624,1328, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  40 THR  HB     84 GLN  HN      4.13             (#peak  1361 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1361, nxpk= 0, iat= 624,1320, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  40 THR  HB     84 GLN  QG      4.20             (#peak  1367)
 &rst
  ixpk= 1367, nxpk= 0, iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1327,1328,
 &end
#
#  40 THR  HG1    83 ASP- HA      4.09             (#peak  1729 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1729, nxpk= 0, iat= 630,1310, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  40 THR  HG1    84 GLN  HN      3.24             (#peak   250 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 250, nxpk= 0, iat= 630,1320, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  40 THR  HG1    85 ARG+ HN      5.14             (#peak   246 #SUP  1.00)
 &rst
  ixpk= 246, nxpk= 0, iat= 630,1337, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  40 THR  HN     40 THR  HB      3.59             (#peak  1360 #SUP  0.99  #QF  0.94)
 &rst
  ixpk= 1360, nxpk= 0, iat= 620, 624, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  40 THR  HN     40 THR  HG1     3.93             (#peak   667 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 667, nxpk= 0, iat= 620, 630, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  40 THR  HN     40 THR  QG2     4.30             (#peak  1371 #SUP  1.00)
 &rst
  ixpk= 1371, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 626, 627, 628,
 &end
#
#  40 THR  HN     41 THR  QG2     5.23             (#peak  1344 #SUP  1.00  #QF  0.73)
 &rst
  ixpk= 1344, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 640, 641, 642,
 &end
#
#  40 THR  HN     80 LEU  HB2     5.04             (#peak   674 #SUP  0.99  #QF  0.95)
 &rst
  ixpk= 674, nxpk= 0, iat= 620,1269, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  40 THR  HN     80 LEU  HB3     4.70             (#peak   588 #SUP  1.00  #QF  0.86)
 &rst
  ixpk= 588, nxpk= 0, iat= 620,1270, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  40 THR  HN     81 GLN  HA      4.87             (#peak   669 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 669, nxpk= 0, iat= 620,1286, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  40 THR  HN     81 GLN  HN      5.08             (#peak   666 #SUP  1.00  #QF  0.71)
 &rst
  ixpk= 666, nxpk= 0, iat= 620,1284, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  40 THR  HN     82 GLY  HN      4.68             (#peak   281 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 281, nxpk= 0, iat= 620,1301, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  40 THR  HN     84 GLN  HN      5.15             (#peak   665 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 665, nxpk= 0, iat= 620,1320, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  40 THR  QG2    40 THR  HG1     3.81             (#peak  1376 #SUP  1.00)
 &rst
  ixpk= 1376, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    41 THR  HN      3.56             (#peak  1372 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1372, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    80 LEU  HN      4.65             (#peak  1371 #SUP  1.00)
 &rst
  ixpk= 1371, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    84 GLN  HB2     4.19             (#peak  1380 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1380, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    84 GLN  HN      3.91             (#peak  1374 #SUP  1.00)
 &rst
  ixpk= 1374, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    85 ARG+ HA      3.54             (#peak  1379 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 1379, nxpk= 0, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 626, 627, 628,
 &end
#
#  40 THR  QG2    85 ARG+ HN      4.11             (#peak  1375 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1375, nxpk= 0, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 626, 627, 628,
 &end
#
#  41 THR  HA     41 THR  QG2     3.27             (#peak  1348 #SUP  1.00)
 &rst
  ixpk= 1348, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 640, 641, 642,
 &end
#
#  41 THR  HA     42 VAL  HN      3.04             (#peak   644 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 644, nxpk= 0, iat= 636, 648, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  41 THR  HA     42 VAL  QG2     4.02             (#peak  1719 #SUP  0.98  #QF  0.92)
 &rst
  ixpk= 1719, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 658, 659, 660,
 &end
#
#  41 THR  HA     77 ILE  QD1     4.41             (#peak  1719 #SUP  0.98  #QF  0.92)
 &rst
  ixpk= 1719, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1223,1224,1225,
 &end
#
#  41 THR  HA     77 ILE  QG2     4.71             (#peak   687 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 687, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1216,1217,1218,
 &end
#
#  41 THR  HA     78 ILE  HN      4.81             (#peak  1712 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1712, nxpk= 0, iat= 636,1229, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  41 THR  HA     79 GLN  HA      3.44             (#peak  1711 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1711, nxpk= 0, iat= 636,1250, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  41 THR  HA     79 GLN  HG2     4.92             (#peak   635 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 635, nxpk= 0, iat= 636,1255, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  41 THR  HA     79 GLN  QB      4.69             (#peak   621 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 621, nxpk= 0, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1252,1253,
 &end
#
#  41 THR  HA     80 LEU  HN      4.25             (#peak  1715 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1715, nxpk= 0, iat= 636,1265, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  41 THR  HB     42 VAL  HN      3.78             (#peak  1337 #SUP  1.00)
 &rst
  ixpk= 1337, nxpk= 0, iat= 638, 648, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  41 THR  HB     43 GLN  HB2     5.15             (#peak  1339 #SUP  0.98  #QF  0.67)
 &rst
  ixpk= 1339, nxpk= 0, iat= 638, 668, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  41 THR  HB     77 ILE  HB      4.55             (#peak  1340 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 1340, nxpk= 0, iat= 638,1214, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  41 THR  HB     77 ILE  QD1     3.57             (#peak   694 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 694, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1223,1224,1225,
 &end
#
#  41 THR  HB     77 ILE  QG2     3.86             (#peak   689 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 689, nxpk= 0, iat= 638,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1216,1217,1218,
 &end
#
#  41 THR  HB     79 GLN  HG2     5.50             (#peak  1339 #SUP  0.98  #QF  0.67)
 &rst
  ixpk= 1339, nxpk= 0, iat= 638,1255, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  41 THR  HN     41 THR  HB      4.21             (#peak  1336 #SUP  1.00)
 &rst
  ixpk= 1336, nxpk= 0, iat= 634, 638, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  41 THR  HN     41 THR  QG2     3.92             (#peak  1345 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1345, nxpk= 0, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 640, 641, 642,
 &end
#
#  41 THR  HN     42 VAL  HN      4.74             (#peak   805 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 805, nxpk= 0, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  41 THR  QG2    42 VAL  HN      3.80             (#peak  1346 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1346, nxpk= 0, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    77 ILE  HA      5.50             (#peak  1350 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 1350, nxpk= 0, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HA      3.66             (#peak  1349 #SUP  1.00)
 &rst
  ixpk= 1349, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HE21    4.75             (#peak  1347 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 1347, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HE22    4.75             (#peak   322 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 322, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HG2     4.00             (#peak   639 #SUP  1.00)
 &rst
  ixpk= 639, nxpk= 0, iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HG3     3.62             (#peak  1352 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1352, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  HN      4.73             (#peak   314 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 314, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 640, 641, 642,
 &end
#
#  41 THR  QG2    79 GLN  QB      4.08             (#peak   623 #SUP  1.00)
 &rst
  ixpk= 623, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 640, 641, 642,
 igr2=1252,1253,
 &end
#
#  41 THR  QG2    79 GLN  QE2     4.18             (#peak   322)
 &rst
  ixpk= 322, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 640, 641, 642,
 igr2=1260,1261,
 &end
#
#  41 THR  QG2    80 LEU  HN      4.86             (#peak   306 #SUP  1.00)
 &rst
  ixpk= 306, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 640, 641, 642,
 &end
#
#  42 VAL  HB     78 ILE  HB      3.18             (#peak   651 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 651, nxpk= 0, iat= 652,1233, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  42 VAL  HB     78 ILE  HN      3.54             (#peak   509 #SUP  0.94  #QF  0.45)
 &rst
  ixpk= 509, nxpk= 0, iat= 652,1229, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  42 VAL  HB     78 ILE  QG2     3.72             (#peak   667 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 667, nxpk= 0, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1235,1236,1237,
 &end
#
#  42 VAL  HN     42 VAL  HB      3.64             (#peak   648 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 648, nxpk= 0, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  42 VAL  HN     42 VAL  QG1     3.93             (#peak   652 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 652, nxpk= 0, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 654, 655, 656,
 &end
#
#  42 VAL  HN     42 VAL  QG2     3.52             (#peak   653 #SUP  1.00)
 &rst
  ixpk= 653, nxpk= 0, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 658, 659, 660,
 &end
#
#  42 VAL  HN     43 GLN  HN      4.50             (#peak   656 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 656, nxpk= 0, iat= 648, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 VAL  HN     77 ILE  HB      4.45             (#peak   649 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 649, nxpk= 0, iat= 648,1214, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  42 VAL  HN     77 ILE  QG2     4.38             (#peak   684 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 684, nxpk= 0, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1216,1217,1218,
 &end
#
#  42 VAL  HN     78 ILE  HA      4.72             (#peak   646 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 646, nxpk= 0, iat= 648,1231, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  42 VAL  HN     78 ILE  HB      4.12             (#peak   650 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 650, nxpk= 0, iat= 648,1233, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  42 VAL  HN     78 ILE  HN      3.92             (#peak   323 #SUP  1.00)
 &rst
  ixpk= 323, nxpk= 0, iat= 648,1229, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  42 VAL  HN     79 GLN  HA      4.29             (#peak   645 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 645, nxpk= 0, iat= 648,1250, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  42 VAL  QG1    43 GLN  HN      3.60             (#peak   636 #SUP  0.91  #QF  0.53)
 &rst
  ixpk= 636, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 654, 655, 656,
 &end
#
#  42 VAL  QG1    45 VAL  HN      4.37             (#peak   801 #SUP  0.79  #QF  0.57)
 &rst
  ixpk= 801, nxpk= 0, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 654, 655, 656,
 &end
#
#  42 VAL  QG1    78 ILE  HN      4.50             (#peak  1326 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1326, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 654, 655, 656,
 &end
#
#  42 VAL  QG2    43 GLN  HN      4.13             (#peak  1330 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 1330, nxpk= 0, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 658, 659, 660,
 &end
#
#  42 VAL  QG2    78 ILE  HB      3.42             (#peak  1335 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1335, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 658, 659, 660,
 &end
#
#  42 VAL  QG2    78 ILE  HN      4.36             (#peak  1331 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1331, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 658, 659, 660,
 &end
#
#  43 GLN  HA     44 GLY  HN      3.12             (#peak   622 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 622, nxpk= 0, iat= 666, 681, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  43 GLN  HA     45 VAL  HN      4.21             (#peak   613 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 613, nxpk= 0, iat= 666, 688, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  43 GLN  HA     77 ILE  QG2     3.45             (#peak   693 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 693, nxpk= 0, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1216,1217,1218,
 &end
#
#  43 GLN  HB2    43 GLN  QE2     3.98             (#peak   643)
 &rst
  ixpk= 643, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 676, 677,
 &end
#
#  43 GLN  HB2    44 GLY  HN      4.33             (#peak   627 #SUP  1.00)
 &rst
  ixpk= 627, nxpk= 0, iat= 668, 681, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  43 GLN  HB2    77 ILE  QG2     4.08             (#peak  1308 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1308, nxpk= 0, iat= 668,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1216,1217,1218,
 &end
#
#  43 GLN  HB3    44 GLY  HN      4.68             (#peak   626 #SUP  1.00)
 &rst
  ixpk= 626, nxpk= 0, iat= 669, 681, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  43 GLN  HB3    77 ILE  QG2     4.52             (#peak  1307 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1307, nxpk= 0, iat= 669,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1216,1217,1218,
 &end
#
#  43 GLN  HE21   74 MET  HA      4.29             (#peak   637 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 637, nxpk= 0, iat= 676,1173, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  43 GLN  HE22   74 MET  HA      4.29             (#peak   641 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 641, nxpk= 0, iat= 677,1173, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  43 GLN  HG2    44 GLY  HN      4.70             (#peak  1312 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1312, nxpk= 0, iat= 671, 681, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  43 GLN  HG2    77 ILE  QG2     4.27             (#peak  1320 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1320, nxpk= 0, iat= 671,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1216,1217,1218,
 &end
#
#  43 GLN  HG3    44 GLY  HN      4.70             (#peak   625 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 625, nxpk= 0, iat= 672, 681, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  43 GLN  HG3    77 ILE  QG2     4.27             (#peak   690 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 690, nxpk= 0, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1216,1217,1218,
 &end
#
#  43 GLN  HN     43 GLN  HB2     3.80             (#peak   635 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 635, nxpk= 0, iat= 664, 668, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  43 GLN  HN     43 GLN  HB3     3.69             (#peak   634 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 634, nxpk= 0, iat= 664, 669, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  43 GLN  HN     43 GLN  QG      4.73             (#peak   633)
 &rst
  ixpk= 633, nxpk= 0, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 671, 672,
 &end
#
#  43 GLN  QE2    74 MET  HB3     5.07             (#peak   639)
 &rst
  ixpk= 639, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 676, 677,
 &end
#
#  43 GLN  QE2    74 MET  HG2     4.46             (#peak   640)
 &rst
  ixpk= 640, nxpk= 0, iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 676, 677,
 &end
#
#  43 GLN  QG     43 GLN  QE2     3.10             (#peak   642)
 &rst
  ixpk= 642, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 671, 672,
 igr2= 676, 677,
 &end
#
#  43 GLN  QG     44 GLY  HN      3.82             (#peak   625)
 &rst
  ixpk= 625, nxpk= 0, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 671, 672,
 &end
#
#  43 GLN  QG     77 ILE  QG2     3.70             (#peak   690)
 &rst
  ixpk= 690, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 671, 672,
 igr2=1216,1217,1218,
 &end
#
#  44 GLY  HN     45 VAL  HN      3.40             (#peak   612 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 612, nxpk= 0, iat= 681, 688, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  44 GLY  HN     45 VAL  QG1     4.23             (#peak   628 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 628, nxpk= 0, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 694, 695, 696,
 &end
#
#  45 VAL  HA     45 VAL  QG1     3.28             (#peak  1281 #SUP  1.00)
 &rst
  ixpk= 1281, nxpk= 0, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 694, 695, 696,
 &end
#
#  45 VAL  HA     45 VAL  QG2     3.25             (#peak  1295 #SUP  1.00)
 &rst
  ixpk= 1295, nxpk= 0, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 698, 699, 700,
 &end
#
#  45 VAL  HA     46  PRO HB2     4.99             (#peak  1268 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1268, nxpk= 0, iat= 690, 711, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  45 VAL  HA     46  PRO HD2     3.25             (#peak  1278 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1278, nxpk= 0, iat= 690, 705, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  45 VAL  HA     46  PRO HD3     3.01             (#peak  1277 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1277, nxpk= 0, iat= 690, 706, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  45 VAL  HA     49 TYR  QD      4.67             (#peak  1209 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1209, nxpk= 0, iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 756, 765,
 &end
#
#  45 VAL  HN     45 VAL  HB      3.13             (#peak   616 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 616, nxpk= 0, iat= 688, 692, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  45 VAL  HN     45 VAL  QG1     3.03             (#peak   618 #SUP  1.00)
 &rst
  ixpk= 618, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 694, 695, 696,
 &end
#
#  45 VAL  HN     45 VAL  QG2     3.85             (#peak   617 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 617, nxpk= 0, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 698, 699, 700,
 &end
#
#  45 VAL  HN     46  PRO HD3     4.88             (#peak   620 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 620, nxpk= 0, iat= 688, 706, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  45 VAL  QG1    46  PRO HD2     4.32             (#peak  1288 #SUP  1.00)
 &rst
  ixpk= 1288, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 694, 695, 696,
 &end
#
#  45 VAL  QG1    46  PRO HD3     4.91             (#peak  1286 #SUP  1.00)
 &rst
  ixpk= 1286, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 694, 695, 696,
 &end
#
#  45 VAL  QG1    47 GLU- HA      5.46             (#peak  1286 #SUP  1.00)
 &rst
  ixpk= 1286, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 694, 695, 696,
 &end
#
#  45 VAL  QG2    46  PRO HD2     3.27             (#peak  1296 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1296, nxpk= 0, iat=  -1, 705, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    46  PRO HD3     3.55             (#peak  1294 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1294, nxpk= 0, iat=  -1, 706, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    47 GLU- HA      4.80             (#peak  1248 #SUP  0.46  #QF  0.46)
 &rst
  ixpk= 1248, nxpk= 0, iat=  -1, 720, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    49 TYR  HB2     3.67             (#peak  1298 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1298, nxpk= 0, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    49 TYR  HB3     3.67             (#peak  1297 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1297, nxpk= 0, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    49 TYR  HN      4.11             (#peak   596 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 596, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 698, 699, 700,
 &end
#
#  45 VAL  QG2    49 TYR  QB      3.12             (#peak  1298)
 &rst
  ixpk= 1298, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 698, 699, 700,
 igr2= 752, 753,
 &end
#
#  45 VAL  QG2    49 TYR  QD      3.40             (#peak  1217 #SUP  1.00)
 &rst
  ixpk= 1217, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 698, 699, 700,
 igr2= 756, 765,
 &end
#
#  45 VAL  QG2    49 TYR  QE      4.47             (#peak  1293 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1293, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 698, 699, 700,
 igr2= 758, 763,
 &end
#
#  46  PRO HA     46  PRO QG      3.58             (#peak  1259)
 &rst
  ixpk= 1259, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 708, 709,
 &end
#
#  46  PRO HA     47 GLU- HN      2.89             (#peak   607 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 607, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  46  PRO HA     47 GLU- QB      4.31             (#peak  1251 #SUP  1.00)
 &rst
  ixpk= 1251, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 722, 723,
 &end
#
#  46  PRO HA     48 GLU- HN      4.81             (#peak   599 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 599, nxpk= 0, iat= 714, 733, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  46  PRO HB2    47 GLU- HN      3.93             (#peak   609 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 609, nxpk= 0, iat= 711, 718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#  46  PRO HB2    48 GLU- HN      4.03             (#peak   605 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 605, nxpk= 0, iat= 711, 733, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  46  PRO HB2    49 TYR  HN      4.53             (#peak   594 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 594, nxpk= 0, iat= 711, 748, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  46  PRO HB2    49 TYR  QD      4.13             (#peak  1213 #SUP  1.00)
 &rst
  ixpk= 1213, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 756, 765,
 &end
#
#  46  PRO HB2    49 TYR  QE      4.31             (#peak  1226 #SUP  1.00)
 &rst
  ixpk= 1226, nxpk= 0, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 758, 763,
 &end
#
#  46  PRO HB3    47 GLU- HN      4.84             (#peak  1270 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1270, nxpk= 0, iat= 712, 718, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  46  PRO HB3    48 GLU- HN      4.89             (#peak  1271 #SUP  0.82  #QF  0.42)
 &rst
  ixpk= 1271, nxpk= 0, iat= 712, 733, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  46  PRO HB3    49 TYR  QD      3.80             (#peak  1215 #SUP  1.00)
 &rst
  ixpk= 1215, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 756, 765,
 &end
#
#  46  PRO HB3    49 TYR  QE      4.21             (#peak  1228 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1228, nxpk= 0, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 758, 763,
 &end
#
#  46  PRO HD2    46  PRO HB2     4.31             (#peak  1267 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1267, nxpk= 0, iat= 705, 711, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  46  PRO HD2    46  PRO HB3     4.08             (#peak  1269 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1269, nxpk= 0, iat= 705, 712, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  46  PRO HD2    49 TYR  QD      3.70             (#peak  1210 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1210, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 756, 765,
 &end
#
#  46  PRO HD2    49 TYR  QE      3.80             (#peak  1223 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1223, nxpk= 0, iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2= 758, 763,
 &end
#
#  46  PRO HD3    46  PRO HA      4.15             (#peak  1257 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1257, nxpk= 0, iat= 706, 714, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  46  PRO HD3    46  PRO HB2     4.39             (#peak  1266 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1266, nxpk= 0, iat= 706, 711, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  46  PRO HD3    46  PRO HB3     4.36             (#peak  1275 #SUP  1.00)
 &rst
  ixpk= 1275, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  46  PRO HD3    49 TYR  QD      4.12             (#peak  1208 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1208, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 756, 765,
 &end
#
#  46  PRO HD3    49 TYR  QE      4.59             (#peak  1222 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1222, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 758, 763,
 &end
#
#  46  PRO HD3    98 LEU  QD1     4.46             (#peak   168 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 168, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1554,1555,1556,
 &end
#
#  46  PRO QG     49 TYR  QD      3.83             (#peak  1214)
 &rst
  ixpk= 1214, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 708, 709,
 igr2= 756, 765,
 &end
#
#  46  PRO QG     49 TYR  QE      3.55             (#peak  1227)
 &rst
  ixpk= 1227, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 708, 709,
 igr2= 758, 763,
 &end
#
#  46  PRO QG     98 LEU  QD1     4.21             (#peak   173)
 &rst
  ixpk= 173, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 708, 709,
 igr2=1554,1555,1556,
 &end
#
#  47 GLU- HA     47 GLU- QB      2.90             (#peak  1247 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1247, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2= 722, 723,
 &end
#
#  47 GLU- HA     47 GLU- QG      3.67             (#peak  1246 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1246, nxpk= 0, iat= 720,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 725, 726,
 &end
#
#  47 GLU- HA     49 TYR  HN      4.19             (#peak   912 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 912, nxpk= 0, iat= 720, 748, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  47 GLU- HN     47 GLU- QB      3.09             (#peak   611 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 611, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 722, 723,
 &end
#
#  47 GLU- HN     47 GLU- QG      4.01             (#peak   610 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 610, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 725, 726,
 &end
#
#  47 GLU- HN     48 GLU- HN      3.67             (#peak   597 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 597, nxpk= 0, iat= 718, 733, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  47 GLU- QB     48 GLU- HN      3.89             (#peak   603 #SUP  1.00)
 &rst
  ixpk= 603, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 722, 723,
 &end
#
#  47 GLU- QG     48 GLU- HN      4.53             (#peak   602 #SUP  1.00)
 &rst
  ixpk= 602, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 725, 726,
 &end
#
#  48 GLU- HG2    49 TYR  QD      4.58             (#peak  1216 #SUP  0.80  #QF  0.47)
 &rst
  ixpk= 1216, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 756, 765,
 &end
#
#  48 GLU- HG2    49 TYR  QE      5.40             (#peak  1229 #SUP  0.88  #QF  0.57)
 &rst
  ixpk= 1229, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 758, 763,
 &end
#
#  48 GLU- HG3    49 TYR  QD      4.58             (#peak  1216 #SUP  0.80  #QF  0.47)
 &rst
  ixpk= 1216, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 756, 765,
 &end
#
#  48 GLU- HG3    49 TYR  QE      5.40             (#peak  1229 #SUP  0.88  #QF  0.57)
 &rst
  ixpk= 1229, nxpk= 0, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2= 758, 763,
 &end
#
#  48 GLU- HN     48 GLU- HB2     4.02             (#peak  1235 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1235, nxpk= 0, iat= 733, 737, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  48 GLU- HN     48 GLU- HB3     4.02             (#peak   604 #SUP  0.62  #QF  0.47)
 &rst
  ixpk= 604, nxpk= 0, iat= 733, 738, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  48 GLU- HN     48 GLU- QB      3.23             (#peak   604)
 &rst
  ixpk= 604, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 737, 738,
 &end
#
#  48 GLU- HN     48 GLU- QG      3.54             (#peak   604)
 &rst
  ixpk= 604, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2= 740, 741,
 &end
#
#  48 GLU- HN     49 TYR  HN      3.44             (#peak   586 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 586, nxpk= 0, iat= 733, 748, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  48 GLU- QG     49 TYR  HN      3.61             (#peak   595)
 &rst
  ixpk= 595, nxpk= 0, iat=  -1, 748, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 740, 741,
 &end
#
#  48 GLU- QG     49 TYR  QD      3.93             (#peak  1216)
 &rst
  ixpk= 1216, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 740, 741,
 igr2= 756, 765,
 &end
#
#  48 GLU- QG     49 TYR  QE      4.67             (#peak  1229)
 &rst
  ixpk= 1229, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 740, 741,
 igr2= 758, 763,
 &end
#
#  49 TYR  HA     49 TYR  QD      3.88             (#peak  1207 #SUP  1.00)
 &rst
  ixpk= 1207, nxpk= 0, iat= 750,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 756, 765,
 &end
#
#  49 TYR  HB2    50 ASP- HN      5.20             (#peak   584 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 584, nxpk= 0, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  49 TYR  HB2    54 ILE  QD1     3.76             (#peak  1203 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1203, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 859, 860, 861,
 &end
#
#  49 TYR  HB2    96 LEU  QD1     4.70             (#peak   184 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 184, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1528,1529,1530,
 &end
#
#  49 TYR  HB2    96 LEU  QD2     5.03             (#peak   197 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 197, nxpk= 0, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1532,1533,1534,
 &end
#
#  49 TYR  HB3    50 ASP- HN      5.20             (#peak   583 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 583, nxpk= 0, iat= 753, 769, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  49 TYR  HB3    54 ILE  QD1     3.76             (#peak  1101 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1101, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 859, 860, 861,
 &end
#
#  49 TYR  HB3    96 LEU  QD1     4.70             (#peak   183 #SUP  0.88  #QF  0.62)
 &rst
  ixpk= 183, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1528,1529,1530,
 &end
#
#  49 TYR  HB3    96 LEU  QD2     5.03             (#peak   196 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 196, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1532,1533,1534,
 &end
#
#  49 TYR  HN     49 TYR  HB2     3.63             (#peak   593 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 593, nxpk= 0, iat= 748, 752, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  49 TYR  HN     49 TYR  HB3     3.63             (#peak   592 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 592, nxpk= 0, iat= 748, 753, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  49 TYR  HN     49 TYR  QB      3.03             (#peak   593)
 &rst
  ixpk= 593, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 752, 753,
 &end
#
#  49 TYR  HN     49 TYR  QD      3.71             (#peak   587 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 587, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 756, 765,
 &end
#
#  49 TYR  HN     49 TYR  QE      4.94             (#peak   588 #SUP  1.00)
 &rst
  ixpk= 588, nxpk= 0, iat= 748,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 758, 763,
 &end
#
#  49 TYR  QB     50 ASP- HN      4.46             (#peak   584)
 &rst
  ixpk= 584, nxpk= 0, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 752, 753,
 &end
#
#  49 TYR  QB     51 LEU  QD2     4.31             (#peak  1184)
 &rst
  ixpk= 1184, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 752, 753,
 igr2= 794, 795, 796,
 &end
#
#  49 TYR  QB     54 ILE  QD1     3.14             (#peak  1101)
 &rst
  ixpk= 1101, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 752, 753,
 igr2= 859, 860, 861,
 &end
#
#  49 TYR  QB     96 LEU  QD1     4.06             (#peak   183)
 &rst
  ixpk= 183, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 752, 753,
 igr2=1528,1529,1530,
 &end
#
#  49 TYR  QB     96 LEU  QD2     4.31             (#peak   196)
 &rst
  ixpk= 196, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 752, 753,
 igr2=1532,1533,1534,
 &end
#
#  49 TYR  QD     54 ILE  QD1     4.48             (#peak  1218 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1218, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 756, 765,
 igr2= 859, 860, 861,
 &end
#
#  49 TYR  QD     96 LEU  QD1     4.34             (#peak  1219 #SUP  0.99  #QF  0.93)
 &rst
  ixpk= 1219, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 756, 765,
 igr2=1528,1529,1530,
 &end
#
#  49 TYR  QD     96 LEU  QD2     4.16             (#peak  1219 #SUP  0.99  #QF  0.93)
 &rst
  ixpk= 1219, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 756, 765,
 igr2=1532,1533,1534,
 &end
#
#  49 TYR  QD     98 LEU  QD2     5.05             (#peak   162 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 756, 765,
 igr2=1558,1559,1560,
 &end
#
#  49 TYR  QE     96 LEU  HA      4.55             (#peak  1221 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1221, nxpk= 0, iat=  -1,1521, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 758, 763,
 &end
#
#  49 TYR  QE     96 LEU  HB3     4.28             (#peak  1230 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1230, nxpk= 0, iat=  -1,1524, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 758, 763,
 &end
#
#  49 TYR  QE     96 LEU  QD1     4.27             (#peak  1233 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1233, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 758, 763,
 igr2=1528,1529,1530,
 &end
#
#  49 TYR  QE     96 LEU  QD2     3.92             (#peak   193 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 193, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 758, 763,
 igr2=1532,1533,1534,
 &end
#
#  49 TYR  QE     98 LEU  QD1     4.43             (#peak   166 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 166, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 758, 763,
 igr2=1554,1555,1556,
 &end
#
#  49 TYR  QE     98 LEU  QD2     3.59             (#peak  1232 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1232, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 758, 763,
 igr2=1558,1559,1560,
 &end
#
#  50 ASP- HA     51 LEU  HB2     4.63             (#peak  1171 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1171, nxpk= 0, iat= 771, 785, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  50 ASP- HA     51 LEU  HN      2.90             (#peak   574 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 574, nxpk= 0, iat= 771, 781, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  50 ASP- HA     52 LYS+ HN      4.31             (#peak   562 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 562, nxpk= 0, iat= 771, 800, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  50 ASP- HB2    51 LEU  HN      4.62             (#peak   577 #SUP  1.00)
 &rst
  ixpk= 577, nxpk= 0, iat= 773, 781, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  50 ASP- HB2    53 ARG+ HB2     4.40             (#peak  1187 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1187, nxpk= 0, iat= 773, 826, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  50 ASP- HB2    53 ARG+ HN      4.65             (#peak   553 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 553, nxpk= 0, iat= 773, 822, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  50 ASP- HB3    51 LEU  HN      4.62             (#peak   576 #SUP  1.00)
 &rst
  ixpk= 576, nxpk= 0, iat= 774, 781, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  50 ASP- HB3    53 ARG+ HB2     4.40             (#peak  1186 #SUP  1.00)
 &rst
  ixpk= 1186, nxpk= 0, iat= 774, 826, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  50 ASP- HB3    53 ARG+ HN      4.65             (#peak   552 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 552, nxpk= 0, iat= 774, 822, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  50 ASP- HN     51 LEU  HN      4.76             (#peak   572 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 572, nxpk= 0, iat= 769, 781, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  50 ASP- HN     53 ARG+ HN      5.18             (#peak   548 #SUP  0.96  #QF  0.21)
 &rst
  ixpk= 548, nxpk= 0, iat= 769, 822, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  50 ASP- QB     53 ARG+ HB2     3.76             (#peak  1186)
 &rst
  ixpk= 1186, nxpk= 0, iat=  -1, 826, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 773, 774,
 &end
#
#  50 ASP- QB     53 ARG+ HB3     3.85             (#peak  1109)
 &rst
  ixpk= 1109, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 773, 774,
 &end
#
#  50 ASP- QB     53 ARG+ HN      3.88             (#peak   552)
 &rst
  ixpk= 552, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 773, 774,
 &end
#
#  50 ASP- QB     54 ILE  HN      4.65             (#peak   845)
 &rst
  ixpk= 845, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 773, 774,
 &end
#
#  51 LEU  HA     51 LEU  HG      3.89             (#peak  1163 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1163, nxpk= 0, iat= 783, 788, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  51 LEU  HA     51 LEU  QD1     3.87             (#peak  1156 #SUP  1.00)
 &rst
  ixpk= 1156, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 790, 791, 792,
 &end
#
#  51 LEU  HA     51 LEU  QD2     3.05             (#peak  1166 #SUP  0.99  #QF  0.97)
 &rst
  ixpk= 1166, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 794, 795, 796,
 &end
#
#  51 LEU  HA     53 ARG+ HN      4.46             (#peak  1161 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1161, nxpk= 0, iat= 783, 822, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  51 LEU  HA     54 ILE  HB      3.21             (#peak  1162 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1162, nxpk= 0, iat= 783, 850, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  51 LEU  HA     54 ILE  HG12    4.47             (#peak  1165 #SUP  1.00)
 &rst
  ixpk= 1165, nxpk= 0, iat= 783, 856, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  51 LEU  HA     54 ILE  HG13    4.47             (#peak  1082 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1082, nxpk= 0, iat= 783, 857, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  51 LEU  HA     54 ILE  HN      3.83             (#peak   536 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 536, nxpk= 0, iat= 783, 846, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  51 LEU  HA     54 ILE  QG2     4.37             (#peak  1098 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 1098, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 852, 853, 854,
 &end
#
#  51 LEU  HA     55 LEU  HN      4.65             (#peak  1158 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1158, nxpk= 0, iat= 783, 865, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  51 LEU  HA     55 LEU  QD2     4.93             (#peak  1167 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1167, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 878, 879, 880,
 &end
#
#  51 LEU  HA     78 ILE  QD1     3.98             (#peak   670 #SUP  0.75  #QF  0.59)
 &rst
  ixpk= 670, nxpk= 0, iat= 783,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1242,1243,1244,
 &end
#
#  51 LEU  HB2    52 LYS+ HN      3.20             (#peak   564 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 564, nxpk= 0, iat= 785, 800, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  51 LEU  HB3    51 LEU  QD1     3.35             (#peak  1438 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1438, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 790, 791, 792,
 &end
#
#  51 LEU  HB3    51 LEU  QD2     3.23             (#peak  1439 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1439, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 794, 795, 796,
 &end
#
#  51 LEU  HB3    52 LYS+ HN      3.90             (#peak  1174 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1174, nxpk= 0, iat= 786, 800, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  51 LEU  HB3    78 ILE  QD1     3.28             (#peak  1705 #SUP  0.23  #QF  0.23)
 &rst
  ixpk= 1705, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1242,1243,1244,
 &end
#
#  51 LEU  HG     52 LYS+ HN      4.80             (#peak  1177 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 1177, nxpk= 0, iat= 788, 800, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  51 LEU  HN     51 LEU  HB2     3.26             (#peak   578 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 578, nxpk= 0, iat= 781, 785, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  51 LEU  HN     51 LEU  HB3     3.79             (#peak   579 #SUP  1.00)
 &rst
  ixpk= 579, nxpk= 0, iat= 781, 786, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  51 LEU  HN     51 LEU  HG      3.49             (#peak   578 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 578, nxpk= 0, iat= 781, 788, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  51 LEU  HN     51 LEU  QD1     4.10             (#peak  1151 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1151, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 790, 791, 792,
 &end
#
#  51 LEU  HN     51 LEU  QD2     3.95             (#peak   580 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 580, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 794, 795, 796,
 &end
#
#  51 LEU  HN     52 LYS+ HN      3.47             (#peak   559 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 559, nxpk= 0, iat= 781, 800, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  51 LEU  HN     53 ARG+ HN      4.94             (#peak   547 #SUP  1.00)
 &rst
  ixpk= 547, nxpk= 0, iat= 781, 822, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  51 LEU  QD1    52 LYS+ HN      4.57             (#peak   568 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 568, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 790, 791, 792,
 &end
#
#  51 LEU  QD1    77 ILE  HA      4.81             (#peak  1154 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 1154, nxpk= 0, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 790, 791, 792,
 &end
#
#  51 LEU  QD1    77 ILE  HN      5.21             (#peak  1152 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1152, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 790, 791, 792,
 &end
#
#  51 LEU  QD1    78 ILE  HA      5.25             (#peak  1155 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 1155, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 790, 791, 792,
 &end
#
#  51 LEU  QD1    78 ILE  HN      5.26             (#peak  1153 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1153, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 790, 791, 792,
 &end
#
#  51 LEU  QD2    77 ILE  HA      4.96             (#peak  1181 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1181, nxpk= 0, iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 794, 795, 796,
 &end
#
#  51 LEU  QD2    78 ILE  HN      5.07             (#peak  1180 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1180, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 794, 795, 796,
 &end
#
#  52 LYS+ HA     52 LYS+ HG2     3.94             (#peak  1129 #SUP  0.96  #QF  0.62)
 &rst
  ixpk= 1129, nxpk= 0, iat= 802, 807, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  52 LYS+ HA     52 LYS+ HG3     3.94             (#peak  1141 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1141, nxpk= 0, iat= 802, 808, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  52 LYS+ HA     52 LYS+ QG      3.28             (#peak  1129)
 &rst
  ixpk= 1129, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr2= 807, 808,
 &end
#
#  52 LYS+ HA     55 LEU  HB2     4.00             (#peak  1048 #SUP  0.92  #QF  0.88)
 &rst
  ixpk= 1048, nxpk= 0, iat= 802, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  52 LYS+ HA     55 LEU  HB3     5.33             (#peak  1049 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1049, nxpk= 0, iat= 802, 870, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  52 LYS+ HA     55 LEU  HG      4.65             (#peak  1057 #SUP  0.99  #QF  0.64)
 &rst
  ixpk= 1057, nxpk= 0, iat= 802, 872, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  52 LYS+ HA     55 LEU  HN      3.85             (#peak   527 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 527, nxpk= 0, iat= 802, 865, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  52 LYS+ HA     55 LEU  QD1     4.18             (#peak  1130 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1130, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 874, 875, 876,
 &end
#
#  52 LYS+ HA     68 ILE  QD1     3.24             (#peak  1131 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1131, nxpk= 0, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1086,1087,1088,
 &end
#
#  52 LYS+ HB2    53 ARG+ HN      3.89             (#peak   556 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 556, nxpk= 0, iat= 804, 822, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  52 LYS+ HB3    53 ARG+ HN      3.89             (#peak  1136 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1136, nxpk= 0, iat= 805, 822, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  52 LYS+ HN     52 LYS+ HB2     3.66             (#peak  1134 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1134, nxpk= 0, iat= 800, 804, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  52 LYS+ HN     52 LYS+ HB3     3.66             (#peak   565 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 565, nxpk= 0, iat= 800, 805, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  52 LYS+ HN     52 LYS+ HG2     3.95             (#peak   567 #SUP  1.00)
 &rst
  ixpk= 567, nxpk= 0, iat= 800, 807, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  52 LYS+ HN     52 LYS+ HG3     3.95             (#peak   566 #SUP  1.00)
 &rst
  ixpk= 566, nxpk= 0, iat= 800, 808, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  52 LYS+ HN     52 LYS+ QB      3.03             (#peak   565)
 &rst
  ixpk= 565, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 804, 805,
 &end
#
#  52 LYS+ HN     52 LYS+ QD      4.64             (#peak   926 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 926, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 810, 811,
 &end
#
#  52 LYS+ HN     52 LYS+ QG      3.23             (#peak   566)
 &rst
  ixpk= 566, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 807, 808,
 &end
#
#  52 LYS+ HN     53 ARG+ HN      3.23             (#peak   545 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 545, nxpk= 0, iat= 800, 822, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  52 LYS+ HN     54 ILE  HN      4.42             (#peak   561 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 561, nxpk= 0, iat= 800, 846, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  52 LYS+ HN     55 LEU  QD2     5.32             (#peak   570 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 570, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 878, 879, 880,
 &end
#
#  52 LYS+ HN     68 ILE  QD1     4.08             (#peak   569 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 569, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1086,1087,1088,
 &end
#
#  52 LYS+ QG     53 ARG+ HN      4.89             (#peak  1148)
 &rst
  ixpk= 1148, nxpk= 0, iat=  -1, 822, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 807, 808,
 &end
#
#  53 ARG+ HA     53 ARG+ HD2     4.45             (#peak  1694 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1694, nxpk= 0, iat= 824, 832, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  53 ARG+ HA     53 ARG+ HD3     4.45             (#peak  1693 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1693, nxpk= 0, iat= 824, 833, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  53 ARG+ HA     53 ARG+ HG2     3.95             (#peak  1114 #SUP  1.00)
 &rst
  ixpk= 1114, nxpk= 0, iat= 824, 829, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  53 ARG+ HA     53 ARG+ HG3     3.95             (#peak  1115 #SUP  1.00)
 &rst
  ixpk= 1115, nxpk= 0, iat= 824, 830, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  53 ARG+ HA     56 LYS+ HN      3.95             (#peak   515 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 515, nxpk= 0, iat= 824, 884, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  53 ARG+ HA     56 LYS+ QB      3.35             (#peak  1026 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 1026, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 888, 889,
 &end
#
#  53 ARG+ HA     56 LYS+ QG      4.58             (#peak  1035)
 &rst
  ixpk= 1035, nxpk= 0, iat= 824,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 891, 892,
 &end
#
#  53 ARG+ HB2    53 ARG+ HD2     3.81             (#peak  1690 #SUP  1.00)
 &rst
  ixpk= 1690, nxpk= 0, iat= 826, 832, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  53 ARG+ HB2    53 ARG+ HD3     3.81             (#peak  1689 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1689, nxpk= 0, iat= 826, 833, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  53 ARG+ HB2    54 ILE  HN      4.15             (#peak  1104 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1104, nxpk= 0, iat= 826, 846, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  53 ARG+ HB3    53 ARG+ QD      3.58             (#peak  1691)
 &rst
  ixpk= 1691, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 832, 833,
 &end
#
#  53 ARG+ HB3    54 ILE  HA      4.92             (#peak  1642 #SUP  0.96  #QF  0.83)
 &rst
  ixpk= 1642, nxpk= 0, iat= 827, 848, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  53 ARG+ HB3    54 ILE  HN      3.62             (#peak   539 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 539, nxpk= 0, iat= 827, 846, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  53 ARG+ HN     53 ARG+ HB2     3.15             (#peak   554 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 554, nxpk= 0, iat= 822, 826, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  53 ARG+ HN     53 ARG+ HB3     3.21             (#peak   555 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 555, nxpk= 0, iat= 822, 827, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  53 ARG+ HN     53 ARG+ HD2     5.50             (#peak   551 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 551, nxpk= 0, iat= 822, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ARG+ HN     53 ARG+ HD3     5.50             (#peak  1119 #SUP  0.68  #QF  0.50)
 &rst
  ixpk= 1119, nxpk= 0, iat= 822, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 ARG+ HN     53 ARG+ HG2     4.85             (#peak  1112 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1112, nxpk= 0, iat= 822, 829, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  53 ARG+ HN     53 ARG+ HG3     4.85             (#peak   557 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 557, nxpk= 0, iat= 822, 830, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  53 ARG+ HN     53 ARG+ QD      4.66             (#peak   551)
 &rst
  ixpk= 551, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr2= 832, 833,
 &end
#
#  53 ARG+ HN     53 ARG+ QG      4.18             (#peak   557)
 &rst
  ixpk= 557, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 829, 830,
 &end
#
#  53 ARG+ HN     54 ILE  HB      5.41             (#peak  1074 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 1074, nxpk= 0, iat= 822, 850, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  53 ARG+ HN     54 ILE  HN      3.32             (#peak   546 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 546, nxpk= 0, iat= 822, 846, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  53 ARG+ HN     54 ILE  QD1     5.50             (#peak   558 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 558, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 859, 860, 861,
 &end
#
#  53 ARG+ HN     54 ILE  QG1     4.53             (#peak  1080)
 &rst
  ixpk= 1080, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 856, 857,
 &end
#
#  53 ARG+ HN     55 LEU  HN      5.38             (#peak   548 #SUP  0.96  #QF  0.21)
 &rst
  ixpk= 548, nxpk= 0, iat= 822, 865, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  53 ARG+ QD     56 LYS+ HN      5.34             (#peak  1119)
 &rst
  ixpk= 1119, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 832, 833,
 &end
#
#  53 ARG+ QD     56 LYS+ QB      4.78             (#peak  1030)
 &rst
  ixpk= 1030, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 832, 833,
 igr2= 888, 889,
 &end
#
#  53 ARG+ QD     57 VAL  QQG     4.44             (#peak  1121)
 &rst
  ixpk= 1121, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 832, 833,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  53 ARG+ QG     57 VAL  HN      4.37             (#peak   511)
 &rst
  ixpk= 511, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 829, 830,
 &end
#
#  53 ARG+ QG     57 VAL  QQG     3.70             (#peak  1123)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 829, 830,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  54 ILE  HA     54 ILE  HG12    3.29             (#peak  1644 #SUP  0.90  #QF  0.86)
 &rst
  ixpk= 1644, nxpk= 0, iat= 848, 856, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  54 ILE  HA     54 ILE  HG13    3.29             (#peak  1643 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 1643, nxpk= 0, iat= 848, 857, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  54 ILE  HA     54 ILE  QD1     4.00             (#peak  1645 #SUP  1.00)
 &rst
  ixpk= 1645, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 859, 860, 861,
 &end
#
#  54 ILE  HA     54 ILE  QG2     3.20             (#peak  1097 #SUP  1.00)
 &rst
  ixpk= 1097, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 852, 853, 854,
 &end
#
#  54 ILE  HA     56 LYS+ HN      4.75             (#peak  1641 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1641, nxpk= 0, iat= 848, 884, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  54 ILE  HA     57 VAL  HB      4.82             (#peak  1010 #SUP  0.82  #QF  0.52)
 &rst
  ixpk= 1010, nxpk= 0, iat= 848, 910, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  54 ILE  HA     57 VAL  HN      4.02             (#peak  1639 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1639, nxpk= 0, iat= 848, 906, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  54 ILE  HA     57 VAL  QQG     3.56             (#peak  1013)
 &rst
  ixpk= 1013, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  54 ILE  HA     58 LEU  HN      4.90             (#peak  1637 #SUP  0.96  #QF  0.89)
 &rst
  ixpk= 1637, nxpk= 0, iat= 848, 922, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  54 ILE  HA     91 PHE  HZ      3.96             (#peak  1640 #SUP  1.00  #QF  0.94)
 &rst
  ixpk= 1640, nxpk= 0, iat= 848,1447, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  54 ILE  HA     91 PHE  QE      4.51             (#peak   378 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 378, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1445,1449,
 &end
#
#  54 ILE  HA     92 MET  QE      5.04             (#peak   335 #SUP  0.61  #QF  0.61)
 &rst
  ixpk= 335, nxpk= 0, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1466,1467,1468,
 &end
#
#  54 ILE  HB     54 ILE  QD1     2.93             (#peak  1652 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 1652, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 859, 860, 861,
 &end
#
#  54 ILE  HB     55 LEU  HN      3.20             (#peak   529 #SUP  0.98  #QF  0.66)
 &rst
  ixpk= 529, nxpk= 0, iat= 850, 865, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  54 ILE  HB     56 LYS+ HN      5.50             (#peak  1074 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 1074, nxpk= 0, iat= 850, 884, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 ILE  HB     91 PHE  QE      5.14             (#peak  1075 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 1075, nxpk= 0, iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1445,1449,
 &end
#
#  54 ILE  HG12   55 LEU  HN      5.14             (#peak  1086 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1086, nxpk= 0, iat= 856, 865, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  54 ILE  HG13   55 LEU  HN      5.14             (#peak  1078 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1078, nxpk= 0, iat= 857, 865, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  54 ILE  HN     54 ILE  HB      3.26             (#peak   540 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 540, nxpk= 0, iat= 846, 850, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  54 ILE  HN     54 ILE  HG12    3.67             (#peak   541 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 541, nxpk= 0, iat= 846, 856, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  54 ILE  HN     54 ILE  HG13    3.67             (#peak   544 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 544, nxpk= 0, iat= 846, 857, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  54 ILE  HN     54 ILE  QD1     3.78             (#peak   542 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 542, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 859, 860, 861,
 &end
#
#  54 ILE  HN     54 ILE  QG1     2.89             (#peak   544)
 &rst
  ixpk= 544, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr2= 856, 857,
 &end
#
#  54 ILE  HN     54 ILE  QG2     3.83             (#peak  1095 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1095, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 852, 853, 854,
 &end
#
#  54 ILE  HN     55 LEU  HN      3.47             (#peak   538 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 538, nxpk= 0, iat= 846, 865, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  54 ILE  HN     55 LEU  QD2     4.68             (#peak   543 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 543, nxpk= 0, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 878, 879, 880,
 &end
#
#  54 ILE  QD1    91 PHE  HZ      4.92             (#peak   380 #SUP  1.00)
 &rst
  ixpk= 380, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 859, 860, 861,
 &end
#
#  54 ILE  QD1    91 PHE  QE      3.65             (#peak  1100 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1100, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 859, 860, 861,
 igr2=1445,1449,
 &end
#
#  54 ILE  QG1    55 LEU  HN      4.43             (#peak  1078)
 &rst
  ixpk= 1078, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 856, 857,
 &end
#
#  54 ILE  QG1    91 PHE  HZ      4.43             (#peak  1089)
 &rst
  ixpk= 1089, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 856, 857,
 &end
#
#  54 ILE  QG1    91 PHE  QE      4.04             (#peak  1089)
 &rst
  ixpk= 1089, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 856, 857,
 igr2=1445,1449,
 &end
#
#  54 ILE  QG2    54 ILE  HG12    3.36             (#peak  1648 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 1648, nxpk= 0, iat=  -1, 856, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    54 ILE  HG13    3.36             (#peak  1649 #SUP  1.00)
 &rst
  ixpk= 1649, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    54 ILE  QG1     2.88             (#peak  1648)
 &rst
  ixpk= 1648, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 852, 853, 854,
 igr2= 856, 857,
 &end
#
#  54 ILE  QG2    55 LEU  HN      4.00             (#peak  1094 #SUP  0.89  #QF  0.85)
 &rst
  ixpk= 1094, nxpk= 0, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    58 LEU  HB2     4.69             (#peak   961 #SUP  0.96  #QF  0.74)
 &rst
  ixpk= 961, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    58 LEU  HG      3.45             (#peak  1648 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 1648, nxpk= 0, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    58 LEU  HN      4.12             (#peak   497 #SUP  0.77  #QF  0.77)
 &rst
  ixpk= 497, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 852, 853, 854,
 &end
#
#  54 ILE  QG2    58 LEU  QD1     2.97             (#peak   998 #SUP  0.71  #QF  0.52)
 &rst
  ixpk= 998, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 852, 853, 854,
 igr2= 931, 932, 933,
 &end
#
#  54 ILE  QG2    58 LEU  QD2     4.04             (#peak   999 #SUP  0.86  #QF  0.62)
 &rst
  ixpk= 999, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 852, 853, 854,
 igr2= 935, 936, 937,
 &end
#
#  54 ILE  QG2    91 PHE  QE      3.33             (#peak  1096 #SUP  0.98  #QF  0.91)
 &rst
  ixpk= 1096, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 852, 853, 854,
 igr2=1445,1449,
 &end
#
#  55 LEU  HA     55 LEU  HG      4.15             (#peak  1056 #SUP  1.00)
 &rst
  ixpk= 1056, nxpk= 0, iat= 867, 872, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  55 LEU  HA     55 LEU  QD2     3.00             (#peak  1064 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1064, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 878, 879, 880,
 &end
#
#  55 LEU  HA     58 LEU  HB2     4.00             (#peak   955 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 955, nxpk= 0, iat= 867, 926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  55 LEU  HA     58 LEU  QD1     3.69             (#peak   990 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 990, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 931, 932, 933,
 &end
#
#  55 LEU  HB2    55 LEU  QD1     3.45             (#peak  1051 #SUP  1.00)
 &rst
  ixpk= 1051, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 874, 875, 876,
 &end
#
#  55 LEU  HB2    56 LYS+ HA      4.55             (#peak  1048 #SUP  0.92  #QF  0.88)
 &rst
  ixpk= 1048, nxpk= 0, iat= 869, 886, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  55 LEU  HB2    56 LYS+ HN      3.74             (#peak  1046 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1046, nxpk= 0, iat= 869, 884, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  55 LEU  HB3    55 LEU  QD1     3.46             (#peak  1050 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 1050, nxpk= 0, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 874, 875, 876,
 &end
#
#  55 LEU  HB3    56 LYS+ HA      5.50             (#peak  1049 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1049, nxpk= 0, iat= 870, 886, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 LEU  HB3    56 LYS+ HN      4.43             (#peak   520 #SUP  0.91  #QF  0.77)
 &rst
  ixpk= 520, nxpk= 0, iat= 870, 884, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  55 LEU  HN     55 LEU  HB2     3.48             (#peak  1045 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1045, nxpk= 0, iat= 865, 869, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  55 LEU  HN     55 LEU  HB3     3.58             (#peak   531 #SUP  1.00)
 &rst
  ixpk= 531, nxpk= 0, iat= 865, 870, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  55 LEU  HN     55 LEU  HG      4.09             (#peak   530 #SUP  1.00)
 &rst
  ixpk= 530, nxpk= 0, iat= 865, 872, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  55 LEU  HN     55 LEU  QD1     4.20             (#peak   532 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 532, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 874, 875, 876,
 &end
#
#  55 LEU  HN     55 LEU  QD2     3.79             (#peak   533 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 533, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 878, 879, 880,
 &end
#
#  55 LEU  HN     56 LYS+ HN      3.50             (#peak   513 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 513, nxpk= 0, iat= 865, 884, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  55 LEU  HN     56 LYS+ QB      5.00             (#peak  1024 #SUP  0.90  #QF  0.41)
 &rst
  ixpk= 1024, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 888, 889,
 &end
#
#  55 LEU  HN     57 VAL  QQG     5.44             (#peak   534)
 &rst
  ixpk= 534, nxpk= 0, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  55 LEU  QD1    56 LYS+ HN      4.68             (#peak  1068 #SUP  1.00)
 &rst
  ixpk= 1068, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD1    59 LYS+ HE2     4.17             (#peak  1700 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1700, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD1    59 LYS+ HE3     4.17             (#peak  1698 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1698, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD1    67 ASN  HA      3.52             (#peak  1069 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1069, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD1    67 ASN  HN      4.45             (#peak   430 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 430, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD1    68 ILE  HN      3.97             (#peak  1066 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1066, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 874, 875, 876,
 &end
#
#  55 LEU  QD2    56 LYS+ HN      4.67             (#peak   523 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 523, nxpk= 0, iat=  -1, 884, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    58 LEU  HB2     5.28             (#peak   961 #SUP  0.96  #QF  0.74)
 &rst
  ixpk= 961, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    59 LYS+ HE2     4.55             (#peak  1699 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1699, nxpk= 0, iat=  -1, 954, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    59 LYS+ HE3     4.55             (#peak  1697 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1697, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    66 GLY  HA2     4.42             (#peak  1063 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 1063, nxpk= 0, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    66 GLY  HA3     4.42             (#peak  1062 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 1062, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    66 GLY  QA      3.88             (#peak  1063)
 &rst
  ixpk= 1063, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 878, 879, 880,
 igr2=1054,1055,
 &end
#
#  55 LEU  QD2    67 ASN  HA      5.01             (#peak  1061 #SUP  0.89  #QF  0.79)
 &rst
  ixpk= 1061, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    67 ASN  HN      4.15             (#peak  1058 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1058, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 878, 879, 880,
 &end
#
#  55 LEU  QD2    68 ILE  HA      5.37             (#peak  1061 #SUP  0.89  #QF  0.79)
 &rst
  ixpk= 1061, nxpk= 0, iat=  -1,1075, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 878, 879, 880,
 &end
#
#  56 LYS+ HA     56 LYS+ HD2     4.65             (#peak  1041 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1041, nxpk= 0, iat= 886, 894, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  56 LYS+ HA     56 LYS+ HD3     4.65             (#peak  1040 #SUP  0.97  #QF  0.94)
 &rst
  ixpk= 1040, nxpk= 0, iat= 886, 895, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  56 LYS+ HA     56 LYS+ HG2     3.79             (#peak  1129 #SUP  0.96  #QF  0.62)
 &rst
  ixpk= 1129, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  56 LYS+ HA     56 LYS+ HG3     3.79             (#peak  1033 #SUP  1.00)
 &rst
  ixpk= 1033, nxpk= 0, iat= 886, 892, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  56 LYS+ HA     56 LYS+ QB      2.92             (#peak  1132 #SUP  1.00)
 &rst
  ixpk= 1132, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 888, 889,
 &end
#
#  56 LYS+ HA     56 LYS+ QD      3.88             (#peak  1041)
 &rst
  ixpk= 1041, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 894, 895,
 &end
#
#  56 LYS+ HA     59 LYS+ HN      4.18             (#peak   487 #SUP  0.55  #QF  0.55)
 &rst
  ixpk= 487, nxpk= 0, iat= 886, 941, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  56 LYS+ HA     59 LYS+ QB      3.53             (#peak  1128)
 &rst
  ixpk= 1128, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 945, 946,
 &end
#
#  56 LYS+ HA     59 LYS+ QD      4.61             (#peak  1133 #SUP  0.99  #QF  0.54)
 &rst
  ixpk= 1133, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 951, 952,
 &end
#
#  56 LYS+ HA     60 LYS+ HN      4.81             (#peak   476 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 476, nxpk= 0, iat= 886, 963, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  56 LYS+ HG2    56 LYS+ QE      4.09             (#peak  1037 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1037, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 897, 898,
 &end
#
#  56 LYS+ HG3    56 LYS+ QE      4.09             (#peak  1036 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1036, nxpk= 0, iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 897, 898,
 &end
#
#  56 LYS+ HN     56 LYS+ HG2     4.60             (#peak   520 #SUP  0.91  #QF  0.77)
 &rst
  ixpk= 520, nxpk= 0, iat= 884, 891, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  56 LYS+ HN     56 LYS+ HG3     4.60             (#peak  1031 #SUP  1.00)
 &rst
  ixpk= 1031, nxpk= 0, iat= 884, 892, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  56 LYS+ HN     56 LYS+ QB      2.88             (#peak   518 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 518, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 888, 889,
 &end
#
#  56 LYS+ HN     56 LYS+ QD      3.96             (#peak   467)
 &rst
  ixpk= 467, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 894, 895,
 &end
#
#  56 LYS+ HN     56 LYS+ QG      3.89             (#peak  1031)
 &rst
  ixpk= 1031, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 891, 892,
 &end
#
#  56 LYS+ HN     57 VAL  HN      3.38             (#peak   794 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 794, nxpk= 0, iat= 884, 906, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  56 LYS+ HN     57 VAL  QQG     4.30             (#peak  1017)
 &rst
  ixpk= 1017, nxpk= 0, iat= 884,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  56 LYS+ QB     56 LYS+ QE      4.22             (#peak  1029 #SUP  1.00)
 &rst
  ixpk= 1029, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 888, 889,
 igr2= 897, 898,
 &end
#
#  56 LYS+ QB     57 VAL  HN      3.26             (#peak   510 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 510, nxpk= 0, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 888, 889,
 &end
#
#  56 LYS+ QB     57 VAL  QQG     3.87             (#peak  1027)
 &rst
  ixpk= 1027, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 888, 889,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  56 LYS+ QB     58 LEU  HN      5.40             (#peak  1024 #SUP  0.90  #QF  0.41)
 &rst
  ixpk= 1024, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 888, 889,
 &end
#
#  56 LYS+ QG     56 LYS+ QE      3.45             (#peak  1037)
 &rst
  ixpk= 1037, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 891, 892,
 igr2= 897, 898,
 &end
#
#  57 VAL  HA     57 VAL  QG1     3.20             (#peak  1012 #SUP  0.96  #QF  0.90)
 &rst
  ixpk= 1012, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 912, 913, 914,
 &end
#
#  57 VAL  HA     57 VAL  QG2     3.20             (#peak  1012 #SUP  0.96  #QF  0.90)
 &rst
  ixpk= 1012, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 916, 917, 918,
 &end
#
#  57 VAL  HA     57 VAL  QQG     2.67             (#peak  1012)
 &rst
  ixpk= 1012, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  HA     60 LYS+ HN      3.98             (#peak  1001 #SUP  0.92  #QF  0.76)
 &rst
  ixpk= 1001, nxpk= 0, iat= 908, 963, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  57 VAL  HA     60 LYS+ QB      3.33             (#peak  1003)
 &rst
  ixpk= 1003, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 967, 968,
 &end
#
#  57 VAL  HA     60 LYS+ QG      4.61             (#peak   922 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 922, nxpk= 0, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 970, 971,
 &end
#
#  57 VAL  HA     61 ASP- HN      3.82             (#peak  1722 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 1722, nxpk= 0, iat= 908, 985, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  57 VAL  HB     58 LEU  HN      4.01             (#peak   501 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 501, nxpk= 0, iat= 910, 922, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  57 VAL  HB     58 LEU  QD2     5.50             (#peak   984 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 984, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 935, 936, 937,
 &end
#
#  57 VAL  HB     91 PHE  HZ      4.38             (#peak   383 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 383, nxpk= 0, iat= 910,1447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  57 VAL  HB     91 PHE  QE      4.23             (#peak  1008 #SUP  0.99  #QF  0.96)
 &rst
  ixpk= 1008, nxpk= 0, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2=1445,1449,
 &end
#
#  57 VAL  HN     57 VAL  HB      3.17             (#peak  1006 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1006, nxpk= 0, iat= 906, 910, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  57 VAL  HN     57 VAL  QQG     2.89             (#peak  1014)
 &rst
  ixpk= 1014, nxpk= 0, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  HN     58 LEU  HB2     5.50             (#peak   953 #SUP  0.76  #QF  0.46)
 &rst
  ixpk= 953, nxpk= 0, iat= 906, 926, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  57 VAL  HN     58 LEU  HN      3.36             (#peak   504 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 504, nxpk= 0, iat= 906, 922, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  57 VAL  QG1    58 LEU  HN      3.89             (#peak  1015 #SUP  0.98  #QF  0.97)
 &rst
  ixpk= 1015, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 912, 913, 914,
 &end
#
#  57 VAL  QG1    58 LEU  QD2     4.73             (#peak  1021 #SUP  0.95  #QF  0.93)
 &rst
  ixpk= 1021, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 912, 913, 914,
 igr2= 935, 936, 937,
 &end
#
#  57 VAL  QG1    91 PHE  HZ      4.05             (#peak   381 #SUP  0.94  #QF  0.63)
 &rst
  ixpk= 381, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 912, 913, 914,
 &end
#
#  57 VAL  QG2    58 LEU  HN      3.89             (#peak   499 #SUP  0.94  #QF  0.21)
 &rst
  ixpk= 499, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1= 916, 917, 918,
 &end
#
#  57 VAL  QG2    58 LEU  QD2     4.73             (#peak  1021 #SUP  0.95  #QF  0.93)
 &rst
  ixpk= 1021, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 916, 917, 918,
 igr2= 935, 936, 937,
 &end
#
#  57 VAL  QG2    91 PHE  HZ      4.05             (#peak   381 #SUP  0.94  #QF  0.63)
 &rst
  ixpk= 381, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 916, 917, 918,
 &end
#
#  57 VAL  QQG    58 LEU  HN      3.31             (#peak   499)
 &rst
  ixpk= 499, nxpk= 0, iat=  -1, 922, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  QQG    58 LEU  QD2     3.90             (#peak  1021)
 &rst
  ixpk= 1021, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2= 935, 936, 937,
 &end
#
#  57 VAL  QQG    59 LYS+ HN      4.80             (#peak   489)
 &rst
  ixpk= 489, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  QQG    61 ASP- HN      3.66             (#peak  1726)
 &rst
  ixpk= 1726, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  QQG    61 ASP- QB      3.43             (#peak  1020)
 &rst
  ixpk= 1020, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2= 989, 990,
 &end
#
#  57 VAL  QQG    62 PHE  HZ      5.44             (#peak   892)
 &rst
  ixpk= 892, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  QQG    62 PHE  QD      3.64             (#peak   877)
 &rst
  ixpk= 877, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2=1005,1013,
 &end
#
#  57 VAL  QQG    62 PHE  QE      3.75             (#peak  1725)
 &rst
  ixpk= 1725, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2=1007,1011,
 &end
#
#  57 VAL  QQG    91 PHE  HZ      3.54             (#peak   381)
 &rst
  ixpk= 381, nxpk= 0, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 912, 913, 914, 916, 917, 918,
 &end
#
#  57 VAL  QQG    91 PHE  QD      3.99             (#peak   369)
 &rst
  ixpk= 369, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2=1443,1451,
 &end
#
#  57 VAL  QQG    91 PHE  QE      3.10             (#peak  1016)
 &rst
  ixpk= 1016, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 912, 913, 914, 916, 917, 918,
 igr2=1445,1449,
 &end
#
#  58 LEU  HA     58 LEU  HG      3.79             (#peak   948 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 948, nxpk= 0, iat= 924, 929, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  58 LEU  HA     58 LEU  QD1     4.19             (#peak   991 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 991, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 931, 932, 933,
 &end
#
#  58 LEU  HA     58 LEU  QD2     3.04             (#peak   978 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 978, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 935, 936, 937,
 &end
#
#  58 LEU  HA     61 ASP- QB      4.34             (#peak   905)
 &rst
  ixpk= 905, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 989, 990,
 &end
#
#  58 LEU  HA     62 PHE  HB2     3.58             (#peak   945 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 945, nxpk= 0, iat= 924,1001, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  58 LEU  HA     62 PHE  HN      4.24             (#peak   455 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 455, nxpk= 0, iat= 924, 997, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  58 LEU  HA     62 PHE  QD      3.73             (#peak   944 #SUP  1.00)
 &rst
  ixpk= 944, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1005,1013,
 &end
#
#  58 LEU  HA     62 PHE  QE      4.57             (#peak   880 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 880, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1007,1011,
 &end
#
#  58 LEU  HA     64 CYS  QB      4.80             (#peak   853 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 853, nxpk= 0, iat= 924,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1031,1032,
 &end
#
#  58 LEU  HB2    58 LEU  QD1     3.32             (#peak   994 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 994, nxpk= 0, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 931, 932, 933,
 &end
#
#  58 LEU  HB2    58 LEU  QD2     3.65             (#peak   985 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 985, nxpk= 0, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 935, 936, 937,
 &end
#
#  58 LEU  HB2    60 LYS+ HN      5.50             (#peak   953 #SUP  0.76  #QF  0.46)
 &rst
  ixpk= 953, nxpk= 0, iat= 926, 963, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  58 LEU  HB2    80 LEU  QD2     5.32             (#peak   961 #SUP  0.96  #QF  0.74)
 &rst
  ixpk= 961, nxpk= 0, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2=1278,1279,1280,
 &end
#
#  58 LEU  HB3    58 LEU  QD1     3.60             (#peak   963 #SUP  1.00)
 &rst
  ixpk= 963, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 931, 932, 933,
 &end
#
#  58 LEU  HB3    58 LEU  QD2     3.80             (#peak   966 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 966, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 935, 936, 937,
 &end
#
#  58 LEU  HB3    59 LYS+ HN      4.10             (#peak   490 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 490, nxpk= 0, iat= 927, 941, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  58 LEU  HB3    62 PHE  HB2     4.75             (#peak   958 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 958, nxpk= 0, iat= 927,1001, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  58 LEU  HB3    64 CYS  HN      5.18             (#peak   446 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 446, nxpk= 0, iat= 927,1027, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  58 LEU  HB3    64 CYS  QB      3.73             (#peak   850 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 850, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1031,1032,
 &end
#
#  58 LEU  HB3    80 LEU  QD2     4.12             (#peak   962 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 962, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1278,1279,1280,
 &end
#
#  58 LEU  HN     58 LEU  HB2     3.42             (#peak   500 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 500, nxpk= 0, iat= 922, 926, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  58 LEU  HN     58 LEU  HB3     3.84             (#peak   498 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 498, nxpk= 0, iat= 922, 927, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  58 LEU  HN     58 LEU  HG      3.60             (#peak   967 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 967, nxpk= 0, iat= 922, 929, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  58 LEU  HN     58 LEU  QD1     3.91             (#peak   988 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 988, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 931, 932, 933,
 &end
#
#  58 LEU  HN     58 LEU  QD2     3.90             (#peak   973 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 973, nxpk= 0, iat= 922,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 935, 936, 937,
 &end
#
#  58 LEU  QD1    62 PHE  HB2     5.05             (#peak   992 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 992, nxpk= 0, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 931, 932, 933,
 &end
#
#  58 LEU  QD1    64 CYS  QB      4.66             (#peak   848 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 848, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 931, 932, 933,
 igr2=1031,1032,
 &end
#
#  58 LEU  QD1    88 VAL  QG1     3.45             (#peak   996 #SUP  0.78  #QF  0.51)
 &rst
  ixpk= 996, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 931, 932, 933,
 igr2=1399,1400,1401,
 &end
#
#  58 LEU  QD1    88 VAL  QG2     3.35             (#peak   449 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 449, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 931, 932, 933,
 igr2=1403,1404,1405,
 &end
#
#  58 LEU  QD1    91 PHE  QE      4.65             (#peak   989 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 989, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 931, 932, 933,
 igr2=1445,1449,
 &end
#
#  58 LEU  QD1    92 MET  QE      4.00             (#peak   338 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 338, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 931, 932, 933,
 igr2=1466,1467,1468,
 &end
#
#  58 LEU  QD2    62 PHE  HB2     3.91             (#peak   980 #SUP  0.97  #QF  0.59)
 &rst
  ixpk= 980, nxpk= 0, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    62 PHE  HB3     4.10             (#peak   863 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 863, nxpk= 0, iat=  -1,1002, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    62 PHE  HZ      4.60             (#peak   890 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 890, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    62 PHE  QD      3.78             (#peak   976 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 976, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 935, 936, 937,
 igr2=1005,1013,
 &end
#
#  58 LEU  QD2    62 PHE  QE      4.33             (#peak   975 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 975, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 935, 936, 937,
 igr2=1007,1011,
 &end
#
#  58 LEU  QD2    64 CYS  QB      4.40             (#peak   983 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 983, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 935, 936, 937,
 igr2=1031,1032,
 &end
#
#  58 LEU  QD2    80 LEU  QD2     4.21             (#peak   999 #SUP  0.86  #QF  0.62)
 &rst
  ixpk= 999, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 935, 936, 937,
 igr2=1278,1279,1280,
 &end
#
#  58 LEU  QD2    88 VAL  HA      3.76             (#peak   979 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 979, nxpk= 0, iat=  -1,1395, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    88 VAL  QG1     4.26             (#peak   448 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 448, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 935, 936, 937,
 igr2=1399,1400,1401,
 &end
#
#  58 LEU  QD2    88 VAL  QG2     3.11             (#peak  1000 #SUP  0.93  #QF  0.29)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 935, 936, 937,
 igr2=1403,1404,1405,
 &end
#
#  58 LEU  QD2    91 PHE  HB2     3.94             (#peak   982 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 982, nxpk= 0, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    91 PHE  HB3     3.94             (#peak   981 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 981, nxpk= 0, iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    91 PHE  QD      3.92             (#peak   977 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 977, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 935, 936, 937,
 igr2=1443,1451,
 &end
#
#  58 LEU  QD2    92 MET  HN      5.50             (#peak   974 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 974, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 935, 936, 937,
 &end
#
#  58 LEU  QD2    92 MET  QE      4.36             (#peak   337 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 337, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 935, 936, 937,
 igr2=1466,1467,1468,
 &end
#
#  59 LYS+ HA     59 LYS+ HG2     3.69             (#peak  1669 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 1669, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  59 LYS+ HA     59 LYS+ HG3     3.91             (#peak  1668 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1668, nxpk= 0, iat= 943, 949, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  59 LYS+ HA     63 ALA  HN      4.75             (#peak   928 #SUP  0.99  #QF  0.98)
 &rst
  ixpk= 928, nxpk= 0, iat= 943,1017, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  59 LYS+ HA     64 CYS  HN      3.25             (#peak   441 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 441, nxpk= 0, iat= 943,1027, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  59 LYS+ HA     64 CYS  QB      4.34             (#peak   854 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 854, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1031,1032,
 &end
#
#  59 LYS+ HB2    60 LYS+ HN      4.12             (#peak   917 #SUP  0.98  #QF  0.39)
 &rst
  ixpk= 917, nxpk= 0, iat= 945, 963, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  59 LYS+ HB3    60 LYS+ HN      4.12             (#peak   484 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 484, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  59 LYS+ HG2    64 CYS  HN      4.45             (#peak   445 #SUP  0.98  #QF  0.23)
 &rst
  ixpk= 445, nxpk= 0, iat= 948,1027, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  59 LYS+ HN     59 LYS+ HB2     3.65             (#peak   931 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 931, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  59 LYS+ HN     59 LYS+ HB3     3.65             (#peak   492 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 492, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  59 LYS+ HN     59 LYS+ HG2     4.45             (#peak   940 #SUP  1.00)
 &rst
  ixpk= 940, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  59 LYS+ HN     59 LYS+ HG3     3.48             (#peak   494 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 494, nxpk= 0, iat= 941, 949, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  59 LYS+ HN     59 LYS+ QB      3.04             (#peak   492)
 &rst
  ixpk= 492, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr2= 945, 946,
 &end
#
#  59 LYS+ HN     59 LYS+ QD      4.45             (#peak   941 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 941, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 951, 952,
 &end
#
#  59 LYS+ HN     60 LYS+ HN      3.48             (#peak   486 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 486, nxpk= 0, iat= 941, 963, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  59 LYS+ QB     59 LYS+ QE      4.26             (#peak   935)
 &rst
  ixpk= 935, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 945, 946,
 igr2= 954, 955,
 &end
#
#  59 LYS+ QB     60 LYS+ HN      3.35             (#peak   484)
 &rst
  ixpk= 484, nxpk= 0, iat=  -1, 963, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 945, 946,
 &end
#
#  60 LYS+ HA     60 LYS+ QG      3.31             (#peak   913 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 913, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 970, 971,
 &end
#
#  60 LYS+ HB2    61 ASP- HN      3.76             (#peak   919 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 919, nxpk= 0, iat= 967, 985, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  60 LYS+ HB3    61 ASP- HN      3.76             (#peak   471 #SUP  0.88  #QF  0.72)
 &rst
  ixpk= 471, nxpk= 0, iat= 968, 985, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  60 LYS+ HN     60 LYS+ QB      3.07             (#peak   482)
 &rst
  ixpk= 482, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2= 967, 968,
 &end
#
#  60 LYS+ HN     60 LYS+ QG      4.07             (#peak   483 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 483, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 970, 971,
 &end
#
#  60 LYS+ HN     61 ASP- HN      3.33             (#peak   462 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 462, nxpk= 0, iat= 963, 985, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  60 LYS+ HN     61 ASP- QB      5.03             (#peak   909)
 &rst
  ixpk= 909, nxpk= 0, iat= 963,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 989, 990,
 &end
#
#  60 LYS+ QB     60 LYS+ QE      4.03             (#peak   936)
 &rst
  ixpk= 936, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 967, 968,
 igr2= 976, 977,
 &end
#
#  60 LYS+ QB     61 ASP- HN      3.15             (#peak   471)
 &rst
  ixpk= 471, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 967, 968,
 &end
#
#  60 LYS+ QB     62 PHE  HN      4.99             (#peak   460)
 &rst
  ixpk= 460, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 967, 968,
 &end
#
#  60 LYS+ QG     60 LYS+ QE      3.72             (#peak   923 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 923, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 970, 971,
 igr2= 976, 977,
 &end
#
#  60 LYS+ QG     61 ASP- HN      4.27             (#peak   472 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 472, nxpk= 0, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 970, 971,
 &end
#
#  61 ASP- HB2    62 PHE  HN      4.45             (#peak   459 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 459, nxpk= 0, iat= 989, 997, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  61 ASP- HB2    62 PHE  QD      4.21             (#peak   874 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 874, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1005,1013,
 &end
#
#  61 ASP- HB2    62 PHE  QE      4.82             (#peak   900 #SUP  1.00)
 &rst
  ixpk= 900, nxpk= 0, iat= 989,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1007,1011,
 &end
#
#  61 ASP- HB3    62 PHE  HN      4.45             (#peak   458 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 458, nxpk= 0, iat= 990, 997, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  61 ASP- HB3    62 PHE  QD      4.21             (#peak   873 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 873, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1005,1013,
 &end
#
#  61 ASP- HB3    62 PHE  QE      4.82             (#peak   883 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 883, nxpk= 0, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2=1007,1011,
 &end
#
#  61 ASP- HN     61 ASP- HB2     3.72             (#peak   470 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 470, nxpk= 0, iat= 985, 989, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  61 ASP- HN     61 ASP- HB3     3.72             (#peak   469 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 469, nxpk= 0, iat= 985, 990, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  61 ASP- HN     61 ASP- QB      3.10             (#peak   469)
 &rst
  ixpk= 469, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 989, 990,
 &end
#
#  61 ASP- HN     62 PHE  HB2     4.96             (#peak   468 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 468, nxpk= 0, iat= 985,1001, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  61 ASP- HN     62 PHE  HN      3.29             (#peak   463 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 463, nxpk= 0, iat= 985, 997, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  61 ASP- HN     62 PHE  QD      4.53             (#peak   464 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 464, nxpk= 0, iat= 985,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1005,1013,
 &end
#
#  61 ASP- HN     63 ALA  HN      4.45             (#peak   447 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 447, nxpk= 0, iat= 985,1017, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  61 ASP- QB     62 PHE  HN      3.79             (#peak   458)
 &rst
  ixpk= 458, nxpk= 0, iat=  -1, 997, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 989, 990,
 &end
#
#  61 ASP- QB     62 PHE  QD      3.61             (#peak   873)
 &rst
  ixpk= 873, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 989, 990,
 igr2=1005,1013,
 &end
#
#  61 ASP- QB     62 PHE  QE      4.15             (#peak   883)
 &rst
  ixpk= 883, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 989, 990,
 igr2=1007,1011,
 &end
#
#  61 ASP- QB     63 ALA  HN      5.30             (#peak   909)
 &rst
  ixpk= 909, nxpk= 0, iat=  -1,1017, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 989, 990,
 &end
#
#  62 PHE  HA     62 PHE  QE      4.86             (#peak   879 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 879, nxpk= 0, iat= 999,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1007,1011,
 &end
#
#  62 PHE  HB2    63 ALA  HN      4.68             (#peak    44 #SUP  0.89  #QF  0.54)
 &rst
  ixpk= 44, nxpk= 0, iat=1001,1017, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  62 PHE  HB2    64 CYS  HN      5.01             (#peak   443 #SUP  0.70  #QF  0.22)
 &rst
  ixpk= 443, nxpk= 0, iat=1001,1027, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  62 PHE  HB2    64 CYS  QB      5.48             (#peak   852 #SUP  0.93  #QF  0.53)
 &rst
  ixpk= 852, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1031,1032,
 &end
#
#  62 PHE  HB2    87 LYS+ QD      5.32             (#peak   868 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 868, nxpk= 0, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1381,1382,
 &end
#
#  62 PHE  HB3    64 CYS  HN      4.77             (#peak   443 #SUP  0.70  #QF  0.22)
 &rst
  ixpk= 443, nxpk= 0, iat=1002,1027, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  62 PHE  HB3    64 CYS  QB      4.97             (#peak   852 #SUP  0.93  #QF  0.53)
 &rst
  ixpk= 852, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1031,1032,
 &end
#
#  62 PHE  HB3    87 LYS+ QD      4.08             (#peak  1038 #SUP  0.65  #QF  0.65)
 &rst
  ixpk= 1038, nxpk= 0, iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1381,1382,
 &end
#
#  62 PHE  HN     62 PHE  HB2     3.54             (#peak   456 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 456, nxpk= 0, iat= 997,1001, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  62 PHE  HN     62 PHE  HB3     3.60             (#peak   457 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 457, nxpk= 0, iat= 997,1002, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  62 PHE  HN     62 PHE  QD      3.99             (#peak   453 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 453, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1005,1013,
 &end
#
#  62 PHE  HN     63 ALA  HA      4.91             (#peak   454 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 454, nxpk= 0, iat= 997,1019, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  62 PHE  HN     63 ALA  HN      3.14             (#peak   448 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 448, nxpk= 0, iat= 997,1017, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  62 PHE  HN     63 ALA  QB      4.86             (#peak   461 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 461, nxpk= 0, iat= 997,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1021,1022,1023,
 &end
#
#  62 PHE  HZ     88 VAL  HA      4.50             (#peak   427 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 427, nxpk= 0, iat=1009,1395, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  62 PHE  HZ     88 VAL  QG2     5.50             (#peak   891 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 891, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1403,1404,1405,
 &end
#
#  62 PHE  HZ     91 PHE  HA      4.71             (#peak   897 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 897, nxpk= 0, iat=1009,1437, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  62 PHE  HZ     91 PHE  HB2     4.86             (#peak   894 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 894, nxpk= 0, iat=1009,1439, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  62 PHE  HZ     91 PHE  HB3     4.86             (#peak   895 #SUP  0.63  #QF  0.63)
 &rst
  ixpk= 895, nxpk= 0, iat=1009,1440, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  62 PHE  HZ     91 PHE  QB      4.26             (#peak   895)
 &rst
  ixpk= 895, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1439,1440,
 &end
#
#  62 PHE  HZ     95 GLN  QG      5.45             (#peak   893 #SUP  0.64  #QF  0.64)
 &rst
  ixpk= 893, nxpk= 0, iat=1009,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1509,1510,
 &end
#
#  62 PHE  QD     87 LYS+ HA      4.84             (#peak   870 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 870, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1005,1013,
 &end
#
#  62 PHE  QD     87 LYS+ QB      4.42             (#peak   875)
 &rst
  ixpk= 875, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1005,1013,
 igr2=1375,1376,
 &end
#
#  62 PHE  QD     87 LYS+ QD      4.53             (#peak   876 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 876, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1005,1013,
 igr2=1381,1382,
 &end
#
#  62 PHE  QE     80 LEU  QD2     5.50             (#peak   888 #SUP  0.39  #QF  0.39)
 &rst
  ixpk= 888, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1007,1011,
 igr2=1278,1279,1280,
 &end
#
#  62 PHE  QE     87 LYS+ QB      4.64             (#peak   885)
 &rst
  ixpk= 885, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1007,1011,
 igr2=1375,1376,
 &end
#
#  62 PHE  QE     88 VAL  QG2     4.89             (#peak   887 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 887, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1007,1011,
 igr2=1403,1404,1405,
 &end
#
#  62 PHE  QE     91 PHE  QB      4.71             (#peak   882)
 &rst
  ixpk= 882, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1007,1011,
 igr2=1439,1440,
 &end
#
#  63 ALA  HA     64 CYS  HN      3.30             (#peak   442 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 442, nxpk= 0, iat=1019,1027, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  63 ALA  HN     63 ALA  HA      2.87             (#peak   449 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 449, nxpk= 0, iat=1017,1019, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  63 ALA  HN     63 ALA  QB      3.41             (#peak   860 #SUP  1.00)
 &rst
  ixpk= 860, nxpk= 0, iat=1017,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1021,1022,1023,
 &end
#
#  63 ALA  QB     64 CYS  HN      4.63             (#peak   445 #SUP  0.98  #QF  0.23)
 &rst
  ixpk= 445, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1021,1022,1023,
 &end
#
#  64 CYS  HA     65 ASN  HN      3.49             (#peak   811 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 811, nxpk= 0, iat=1029,1038, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  64 CYS  HN     64 CYS  QB      3.29             (#peak   444 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 444, nxpk= 0, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1031,1032,
 &end
#
#  64 CYS  HN     65 ASN  HN      4.78             (#peak   440 #SUP  1.00)
 &rst
  ixpk= 440, nxpk= 0, iat=1027,1038, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  64 CYS  QB     65 ASN  HN      4.45             (#peak   856 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 856, nxpk= 0, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1031,1032,
 &end
#
#  64 CYS  QB     80 LEU  HG      4.48             (#peak   851 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 851, nxpk= 0, iat=  -1,1272, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1031,1032,
 &end
#
#  64 CYS  QB     80 LEU  QD1     3.51             (#peak   601 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 601, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1031,1032,
 igr2=1274,1275,1276,
 &end
#
#  65 ASN  HN     65 ASN  HB2     4.17             (#peak   433 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 433, nxpk= 0, iat=1038,1042, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  65 ASN  HN     65 ASN  HB3     4.17             (#peak   434 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 434, nxpk= 0, iat=1038,1043, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  65 ASN  HN     65 ASN  QB      3.32             (#peak   434)
 &rst
  ixpk= 434, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1042,1043,
 &end
#
#  65 ASN  HN     80 LEU  HB3     5.50             (#peak   436 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 436, nxpk= 0, iat=1038,1270, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  65 ASN  HN     80 LEU  QD1     4.94             (#peak   435 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 435, nxpk= 0, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1274,1275,1276,
 &end
#
#  65 ASN  HN     81 GLN  HB2     4.89             (#peak   437 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 437, nxpk= 0, iat=1038,1288, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  65 ASN  HN     81 GLN  HB3     4.89             (#peak   438 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 438, nxpk= 0, iat=1038,1289, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#  65 ASN  HN     81 GLN  HN      4.81             (#peak   439 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 439, nxpk= 0, iat=1038,1284, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  65 ASN  QB     81 GLN  HN      4.74             (#peak   844)
 &rst
  ixpk= 844, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1042,1043,
 &end
#
#  65 ASN  QB     81 GLN  QB      3.56             (#peak  1188)
 &rst
  ixpk= 1188, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1042,1043,
 igr2=1288,1289,
 &end
#
#  66 GLY  HA2    67 ASN  HN      3.29             (#peak   426 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 426, nxpk= 0, iat=1054,1059, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  66 GLY  HA2    80 LEU  HA      4.17             (#peak  1721 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1721, nxpk= 0, iat=1054,1267, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  66 GLY  HA2    80 LEU  QD1     3.84             (#peak   599 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 599, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1274,1275,1276,
 &end
#
#  66 GLY  HA3    67 ASN  HN      3.29             (#peak   425 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 425, nxpk= 0, iat=1055,1059, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  66 GLY  HA3    80 LEU  HA      4.17             (#peak   581 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 581, nxpk= 0, iat=1055,1267, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  66 GLY  HA3    80 LEU  QD1     3.84             (#peak   598 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 598, nxpk= 0, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1274,1275,1276,
 &end
#
#  66 GLY  QA     80 LEU  HA      3.55             (#peak   581)
 &rst
  ixpk= 581, nxpk= 0, iat=  -1,1267, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1=1054,1055,
 &end
#
#  66 GLY  QA     80 LEU  QD1     3.32             (#peak   598)
 &rst
  ixpk= 598, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1054,1055,
 igr2=1274,1275,1276,
 &end
#
#  66 GLY  QA     81 GLN  HN      4.29             (#peak   293)
 &rst
  ixpk= 293, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1054,1055,
 &end
#
#  67 ASN  HA     68 ILE  HN      2.99             (#peak   413 #SUP  1.00  #QF  0.90)
 &rst
  ixpk= 413, nxpk= 0, iat=1061,1073, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#  67 ASN  HB2    68 ILE  HN      3.98             (#peak   415 #SUP  1.00)
 &rst
  ixpk= 415, nxpk= 0, iat=1063,1073, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  67 ASN  HB3    68 ILE  HN      3.98             (#peak   834 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 834, nxpk= 0, iat=1064,1073, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  67 ASN  HN     67 ASN  QB      3.65             (#peak   423)
 &rst
  ixpk= 423, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1063,1064,
 &end
#
#  67 ASN  HN     68 ILE  HN      4.60             (#peak   419 #SUP  1.00)
 &rst
  ixpk= 419, nxpk= 0, iat=1059,1073, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  67 ASN  HN     68 ILE  QG1     5.08             (#peak   429)
 &rst
  ixpk= 429, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1083,1084,
 &end
#
#  67 ASN  HN     78 ILE  QG2     4.29             (#peak   432 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 432, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1235,1236,1237,
 &end
#
#  67 ASN  HN     79 GLN  HG3     5.50             (#peak   427 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 427, nxpk= 0, iat=1059,1256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  67 ASN  HN     79 GLN  HN      3.53             (#peak   809 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 809, nxpk= 0, iat=1059,1248, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  67 ASN  HN     79 GLN  QB      3.93             (#peak   428 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 428, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1252,1253,
 &end
#
#  67 ASN  HN     80 LEU  HA      4.16             (#peak   421 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 421, nxpk= 0, iat=1059,1267, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  67 ASN  HN     80 LEU  QD1     4.08             (#peak   431 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 431, nxpk= 0, iat=1059,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1274,1275,1276,
 &end
#
#  67 ASN  QB     68 ILE  HB      5.34             (#peak   840)
 &rst
  ixpk= 840, nxpk= 0, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1063,1064,
 &end
#
#  67 ASN  QB     68 ILE  HN      3.29             (#peak   415)
 &rst
  ixpk= 415, nxpk= 0, iat=  -1,1073, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1=1063,1064,
 &end
#
#  67 ASN  QB     79 GLN  QB      4.50             (#peak   839)
 &rst
  ixpk= 839, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1063,1064,
 igr2=1252,1253,
 &end
#
#  67 ASN  QD2    79 GLN  QB      4.73             (#peak   619)
 &rst
  ixpk= 619, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1068,1069,
 igr2=1252,1253,
 &end
#
#  68 ILE  HA     68 ILE  HG12    3.97             (#peak   817 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 817, nxpk= 0, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  68 ILE  HA     68 ILE  HG13    3.97             (#peak   821 #SUP  1.00  #QF  0.75)
 &rst
  ixpk= 821, nxpk= 0, iat=1075,1084, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  68 ILE  HA     68 ILE  QG2     3.25             (#peak   826 #SUP  1.00)
 &rst
  ixpk= 826, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2=1079,1080,1081,
 &end
#
#  68 ILE  HA     69 VAL  HB      4.87             (#peak   795 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 795, nxpk= 0, iat=1075,1096, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  68 ILE  HA     69 VAL  HN      2.89             (#peak   404 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 404, nxpk= 0, iat=1075,1092, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
#  68 ILE  HA     69 VAL  QQG     4.03             (#peak   804)
 &rst
  ixpk= 804, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#  68 ILE  HA     78 ILE  HA      4.08             (#peak   644 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 644, nxpk= 0, iat=1075,1231, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  68 ILE  HA     78 ILE  QG2     4.38             (#peak   663 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 663, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1235,1236,1237,
 &end
#
#  68 ILE  HA     79 GLN  HN      4.00             (#peak   308 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 308, nxpk= 0, iat=1075,1248, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  68 ILE  HB     69 VAL  HN      4.47             (#peak   407 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 407, nxpk= 0, iat=1077,1092, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  68 ILE  HG12   78 ILE  HA      5.23             (#peak   818 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 818, nxpk= 0, iat=1083,1231, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  68 ILE  HG13   78 ILE  HA      5.23             (#peak   822 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 822, nxpk= 0, iat=1084,1231, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  68 ILE  HN     68 ILE  HB      3.18             (#peak   412 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 412, nxpk= 0, iat=1073,1077, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  68 ILE  HN     68 ILE  HG12    4.07             (#peak   417 #SUP  1.00)
 &rst
  ixpk= 417, nxpk= 0, iat=1073,1083, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  68 ILE  HN     68 ILE  HG13    4.07             (#peak   416 #SUP  1.00)
 &rst
  ixpk= 416, nxpk= 0, iat=1073,1084, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  68 ILE  HN     68 ILE  QD1     3.90             (#peak   830 #SUP  1.00)
 &rst
  ixpk= 830, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1086,1087,1088,
 &end
#
#  68 ILE  HN     68 ILE  QG1     3.53             (#peak   416)
 &rst
  ixpk= 416, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1083,1084,
 &end
#
#  68 ILE  HN     68 ILE  QG2     3.99             (#peak   418 #SUP  1.00)
 &rst
  ixpk= 418, nxpk= 0, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1079,1080,1081,
 &end
#
#  68 ILE  HN     69 VAL  HN      4.74             (#peak   807 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 807, nxpk= 0, iat=1073,1092, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  68 ILE  QG1    69 VAL  HN      5.11             (#peak   820)
 &rst
  ixpk= 820, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=1083,1084,
 &end
#
#  68 ILE  QG1    78 ILE  HA      4.38             (#peak   818)
 &rst
  ixpk= 818, nxpk= 0, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1083,1084,
 &end
#
#  68 ILE  QG2    69 VAL  HA      3.85             (#peak   827 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 827, nxpk= 0, iat=  -1,1094, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1079,1080,1081,
 &end
#
#  68 ILE  QG2    69 VAL  HN      3.17             (#peak   410 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 410, nxpk= 0, iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1079,1080,1081,
 &end
#
#  68 ILE  QG2    76 GLU- HG2     3.71             (#peak   828 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 828, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1079,1080,1081,
 &end
#
#  68 ILE  QG2    76 GLU- HG3     3.71             (#peak   706 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 706, nxpk= 0, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1079,1080,1081,
 &end
#
#  68 ILE  QG2    76 GLU- QG      3.20             (#peak   706)
 &rst
  ixpk= 706, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1=1079,1080,1081,
 igr2=1202,1203,
 &end
#
#  68 ILE  QG2    77 ILE  HN      3.86             (#peak   339 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 339, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1079,1080,1081,
 &end
#
#  69 VAL  HA     69 VAL  QG1     3.54             (#peak   805 #SUP  1.00)
 &rst
  ixpk= 805, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1098,1099,1100,
 &end
#
#  69 VAL  HA     69 VAL  QG2     3.54             (#peak   812 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 812, nxpk= 0, iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1102,1103,1104,
 &end
#
#  69 VAL  HA     70 LYS+ HN      2.98             (#peak   396 #SUP  0.99  #QF  0.84)
 &rst
  ixpk= 396, nxpk= 0, iat=1094,1108, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  69 VAL  HB     70 LYS+ HN      4.05             (#peak   794 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 794, nxpk= 0, iat=1096,1108, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  69 VAL  HB     77 ILE  HG12    4.02             (#peak   798 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 798, nxpk= 0, iat=1096,1220, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  69 VAL  HB     77 ILE  HG13    3.84             (#peak   797 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 797, nxpk= 0, iat=1096,1221, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  69 VAL  HB     77 ILE  HN      4.27             (#peak   335 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 335, nxpk= 0, iat=1096,1210, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  69 VAL  HN     69 VAL  HB      3.65             (#peak   406 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 406, nxpk= 0, iat=1092,1096, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  69 VAL  HN     69 VAL  QG1     4.13             (#peak   411 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 411, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1098,1099,1100,
 &end
#
#  69 VAL  HN     69 VAL  QG2     4.13             (#peak   808 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 808, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1102,1103,1104,
 &end
#
#  69 VAL  HN     69 VAL  QQG     3.26             (#peak   411)
 &rst
  ixpk= 411, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  HN     76 GLU- QG      4.55             (#peak   714)
 &rst
  ixpk= 714, nxpk= 0, iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1202,1203,
 &end
#
#  69 VAL  HN     77 ILE  HG12    4.55             (#peak   409 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 409, nxpk= 0, iat=1092,1220, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  69 VAL  HN     77 ILE  HG13    4.26             (#peak   408 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 408, nxpk= 0, iat=1092,1221, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  69 VAL  HN     77 ILE  HN      3.65             (#peak   405 #SUP  1.00)
 &rst
  ixpk= 405, nxpk= 0, iat=1092,1210, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  69 VAL  QG1    70 LYS+ HN      4.22             (#peak   801 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 801, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1098,1099,1100,
 &end
#
#  69 VAL  QG1    79 GLN  HE21    4.63             (#peak   318 #SUP  0.83  #QF  0.60)
 &rst
  ixpk= 318, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1098,1099,1100,
 &end
#
#  69 VAL  QG1    79 GLN  HE22    4.63             (#peak   319 #SUP  0.86  #QF  0.32)
 &rst
  ixpk= 319, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1098,1099,1100,
 &end
#
#  69 VAL  QG2    70 LYS+ HN      4.22             (#peak   807 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 807, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1102,1103,1104,
 &end
#
#  69 VAL  QG2    79 GLN  HE21    4.63             (#peak   809 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 809, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1102,1103,1104,
 &end
#
#  69 VAL  QG2    79 GLN  HE22    4.63             (#peak   810 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 810, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1102,1103,1104,
 &end
#
#  69 VAL  QQG    70 LYS+ HN      3.53             (#peak   807)
 &rst
  ixpk= 807, nxpk= 0, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  QQG    71 ASP- HA      4.13             (#peak   811)
 &rst
  ixpk= 811, nxpk= 0, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  QQG    71 ASP- HN      4.84             (#peak   393)
 &rst
  ixpk= 393, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  QQG    77 ILE  HN      4.99             (#peak   799)
 &rst
  ixpk= 799, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  QQG    79 GLN  HG3     3.73             (#peak   636)
 &rst
  ixpk= 636, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1098,1099,1100,1102,1103,1104,
 &end
#
#  69 VAL  QQG    79 GLN  QB      3.99             (#peak   624)
 &rst
  ixpk= 624, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1098,1099,1100,1102,1103,1104,
 igr2=1252,1253,
 &end
#
#  69 VAL  QQG    79 GLN  QE2     3.29             (#peak   319)
 &rst
  ixpk= 319, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1=1098,1099,1100,1102,1103,1104,
 igr2=1260,1261,
 &end
#
#  70 LYS+ HA     70 LYS+ HG2     4.19             (#peak   785 #SUP  1.00)
 &rst
  ixpk= 785, nxpk= 0, iat=1110,1115, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  70 LYS+ HA     70 LYS+ HG3     4.19             (#peak   786 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 786, nxpk= 0, iat=1110,1116, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  70 LYS+ HA     71 ASP- HN      2.88             (#peak   385 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 385, nxpk= 0, iat=1110,1130, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#  70 LYS+ HA     76 GLU- HB3     5.16             (#peak   702 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 702, nxpk= 0, iat=1110,1200, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  70 LYS+ HA     76 GLU- HG2     4.46             (#peak   712 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 712, nxpk= 0, iat=1110,1202, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  70 LYS+ HA     76 GLU- HG3     4.46             (#peak   710 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 710, nxpk= 0, iat=1110,1203, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  70 LYS+ HA     76 GLU- HN      4.04             (#peak   346 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 346, nxpk= 0, iat=1110,1195, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  70 LYS+ HA     77 ILE  HN      3.90             (#peak   334 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 334, nxpk= 0, iat=1110,1210, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  70 LYS+ HB2    71 ASP- HN      4.84             (#peak   390 #SUP  0.99  #QF  0.95)
 &rst
  ixpk= 390, nxpk= 0, iat=1112,1130, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  70 LYS+ HB3    71 ASP- HN      4.84             (#peak   391 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 391, nxpk= 0, iat=1113,1130, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  70 LYS+ HG2    70 LYS+ QE      4.19             (#peak   787 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 787, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1121,1122,
 &end
#
#  70 LYS+ HG3    70 LYS+ QE      4.19             (#peak   788 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 788, nxpk= 0, iat=1116,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1121,1122,
 &end
#
#  70 LYS+ HN     70 LYS+ HB2     3.71             (#peak   399 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 399, nxpk= 0, iat=1108,1112, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  70 LYS+ HN     70 LYS+ HB3     3.71             (#peak   400 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 400, nxpk= 0, iat=1108,1113, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  70 LYS+ HN     70 LYS+ HG2     5.10             (#peak   401 #SUP  0.93  #QF  0.75)
 &rst
  ixpk= 401, nxpk= 0, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  70 LYS+ HN     70 LYS+ HG3     5.10             (#peak   784 #SUP  1.00  #QF  0.92)
 &rst
  ixpk= 784, nxpk= 0, iat=1108,1116, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  70 LYS+ HN     70 LYS+ QB      3.22             (#peak   400)
 &rst
  ixpk= 400, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2=1112,1113,
 &end
#
#  70 LYS+ HN     70 LYS+ QG      4.48             (#peak   401)
 &rst
  ixpk= 401, nxpk= 0, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1115,1116,
 &end
#
#  70 LYS+ HN     71 ASP- HA      5.24             (#peak   397 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 397, nxpk= 0, iat=1108,1132, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  70 LYS+ QB     70 LYS+ QE      4.26             (#peak   308)
 &rst
  ixpk= 308, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1112,1113,
 igr2=1121,1122,
 &end
#
#  70 LYS+ QB     71 ASP- HN      4.20             (#peak   391)
 &rst
  ixpk= 391, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1112,1113,
 &end
#
#  70 LYS+ QB     76 GLU- QG      5.18             (#peak   708)
 &rst
  ixpk= 708, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1112,1113,
 igr2=1202,1203,
 &end
#
#  70 LYS+ QD     76 GLU- QG      5.18             (#peak   708)
 &rst
  ixpk= 708, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1118,1119,
 igr2=1202,1203,
 &end
#
#  70 LYS+ QE     76 GLU- QG      4.71             (#peak   709)
 &rst
  ixpk= 709, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1121,1122,
 igr2=1202,1203,
 &end
#
#  70 LYS+ QG     71 ASP- HN      4.08             (#peak   392)
 &rst
  ixpk= 392, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1115,1116,
 &end
#
#  70 LYS+ QG     76 GLU- QG      3.88             (#peak   707)
 &rst
  ixpk= 707, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1115,1116,
 igr2=1202,1203,
 &end
#
#  71 ASP- HA     72  PRO HD2     3.74             (#peak   763 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 763, nxpk= 0, iat=1132,1143, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  71 ASP- HA     72  PRO HD3     3.74             (#peak   762 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 762, nxpk= 0, iat=1132,1144, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  71 ASP- HA     72  PRO HG2     5.28             (#peak   752 #SUP  0.79  #QF  0.51)
 &rst
  ixpk= 752, nxpk= 0, iat=1132,1146, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  71 ASP- HA     72  PRO HG3     5.28             (#peak   752 #SUP  0.79  #QF  0.51)
 &rst
  ixpk= 752, nxpk= 0, iat=1132,1147, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  71 ASP- HA     72  PRO QD      3.27             (#peak   762)
 &rst
  ixpk= 762, nxpk= 0, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2=1143,1144,
 &end
#
#  71 ASP- HA     72  PRO QG      4.58             (#peak   752)
 &rst
  ixpk= 752, nxpk= 0, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1146,1147,
 &end
#
#  71 ASP- HA     73 GLU- HN      5.06             (#peak   371 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 371, nxpk= 0, iat=1132,1156, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  71 ASP- HB2    72  PRO HD2     5.04             (#peak   768 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 768, nxpk= 0, iat=1134,1143, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  71 ASP- HB2    72  PRO HD3     5.04             (#peak   772 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 772, nxpk= 0, iat=1134,1144, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  71 ASP- HB2    72  PRO QD      4.34             (#peak   772)
 &rst
  ixpk= 772, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1143,1144,
 &end
#
#  71 ASP- HB2    73 GLU- HN      4.88             (#peak   382 #SUP  0.88  #QF  0.85)
 &rst
  ixpk= 382, nxpk= 0, iat=1134,1156, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  71 ASP- HB2    74 MET  HB2     3.88             (#peak   766 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 766, nxpk= 0, iat=1134,1175, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  71 ASP- HB2    74 MET  HB3     4.26             (#peak   767 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 767, nxpk= 0, iat=1134,1176, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  71 ASP- HB2    74 MET  HN      4.05             (#peak   771 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 771, nxpk= 0, iat=1134,1171, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  71 ASP- HB2    75 GLY  HN      3.92             (#peak   356 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 356, nxpk= 0, iat=1134,1188, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  71 ASP- HB2    75 GLY  QA      5.34             (#peak   768)
 &rst
  ixpk= 768, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1190,1191,
 &end
#
#  71 ASP- HB2    77 ILE  HG12    4.18             (#peak   691 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 691, nxpk= 0, iat=1134,1220, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  71 ASP- HB2    77 ILE  HG13    5.19             (#peak   692 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 692, nxpk= 0, iat=1134,1221, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  71 ASP- HB2    77 ILE  QD1     3.35             (#peak   696 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 696, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=1223,1224,1225,
 &end
#
#  71 ASP- HB3    73 GLU- HN      4.57             (#peak   376 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 376, nxpk= 0, iat=1135,1156, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  71 ASP- HB3    74 MET  HB2     3.72             (#peak   777 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 777, nxpk= 0, iat=1135,1175, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  71 ASP- HB3    74 MET  HB3     4.13             (#peak   776 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 776, nxpk= 0, iat=1135,1176, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  71 ASP- HB3    74 MET  HN      3.78             (#peak   367 #SUP  1.00)
 &rst
  ixpk= 367, nxpk= 0, iat=1135,1171, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  71 ASP- HB3    75 GLY  HN      3.64             (#peak   357 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 357, nxpk= 0, iat=1135,1188, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  71 ASP- HB3    77 ILE  HG12    5.41             (#peak   778 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 778, nxpk= 0, iat=1135,1220, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  71 ASP- HB3    77 ILE  QD1     4.13             (#peak   779 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 779, nxpk= 0, iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1223,1224,1225,
 &end
#
#  71 ASP- HN     71 ASP- HB2     3.41             (#peak   389 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 389, nxpk= 0, iat=1130,1134, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  71 ASP- HN     71 ASP- HB3     3.55             (#peak   388 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 388, nxpk= 0, iat=1130,1135, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  71 ASP- HN     74 MET  HB2     5.30             (#peak   390 #SUP  0.99  #QF  0.95)
 &rst
  ixpk= 390, nxpk= 0, iat=1130,1175, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  71 ASP- HN     75 GLY  HA2     4.45             (#peak   387 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 387, nxpk= 0, iat=1130,1190, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  71 ASP- HN     75 GLY  HA3     4.45             (#peak   386 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 386, nxpk= 0, iat=1130,1191, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  71 ASP- HN     75 GLY  HN      4.13             (#peak   353 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 353, nxpk= 0, iat=1130,1188, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  71 ASP- HN     76 GLU- HB2     5.50             (#peak   699 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 699, nxpk= 0, iat=1130,1199, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  71 ASP- HN     77 ILE  HN      4.47             (#peak   395 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 395, nxpk= 0, iat=1130,1210, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  71 ASP- HN     77 ILE  QD1     5.24             (#peak   393 #SUP  0.98  #QF  0.74)
 &rst
  ixpk= 393, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1223,1224,1225,
 &end
#
#  71 ASP- HN     77 ILE  QG2     4.46             (#peak   685 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 685, nxpk= 0, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2=1216,1217,1218,
 &end
#
#  72  PRO HB2    73 GLU- HN      3.05             (#peak   377 #SUP  0.50  #QF  0.50)
 &rst
  ixpk= 377, nxpk= 0, iat=1149,1156, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#  72  PRO HB3    73 GLU- HN      4.37             (#peak   383 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 383, nxpk= 0, iat=1150,1156, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  72  PRO HD2    73 GLU- HN      4.28             (#peak   761 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 761, nxpk= 0, iat=1143,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  72  PRO HD3    73 GLU- HN      4.28             (#peak   760 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 760, nxpk= 0, iat=1144,1156, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  72  PRO QD     72  PRO QG      3.00             (#peak   755)
 &rst
  ixpk= 755, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1143,1144,
 igr2=1146,1147,
 &end
#
#  72  PRO QD     73 GLU- HN      3.53             (#peak   761)
 &rst
  ixpk= 761, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1143,1144,
 &end
#
#  72  PRO QD     74 MET  HN      4.62             (#peak   363)
 &rst
  ixpk= 363, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1143,1144,
 &end
#
#  72  PRO QG     73 GLU- HN      4.03             (#peak   751)
 &rst
  ixpk= 751, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1146,1147,
 &end
#
#  73 GLU- HB2    74 MET  HN      3.90             (#peak   747 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 747, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  73 GLU- HB3    74 MET  HN      3.90             (#peak   364 #SUP  1.00  #QF  0.34)
 &rst
  ixpk= 364, nxpk= 0, iat=1161,1171, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  73 GLU- HG2    74 MET  HN      4.79             (#peak   743 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 743, nxpk= 0, iat=1163,1171, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  73 GLU- HG3    74 MET  HN      4.79             (#peak   742 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 742, nxpk= 0, iat=1164,1171, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  73 GLU- HN     73 GLU- HG2     4.13             (#peak   379 #SUP  1.00)
 &rst
  ixpk= 379, nxpk= 0, iat=1156,1163, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  73 GLU- HN     73 GLU- HG3     4.13             (#peak   740 #SUP  1.00)
 &rst
  ixpk= 740, nxpk= 0, iat=1156,1164, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  73 GLU- HN     73 GLU- QB      3.37             (#peak  1672)
 &rst
  ixpk= 1672, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1160,1161,
 &end
#
#  73 GLU- HN     73 GLU- QG      3.62             (#peak   379)
 &rst
  ixpk= 379, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1163,1164,
 &end
#
#  73 GLU- HN     74 MET  HB2     4.59             (#peak   381 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 381, nxpk= 0, iat=1156,1175, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  73 GLU- HN     74 MET  HG3     5.10             (#peak   735 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 735, nxpk= 0, iat=1156,1179, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  73 GLU- HN     74 MET  HN      2.91             (#peak   370 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 370, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 2.91, r4= 3.41,  &end
#
#  73 GLU- QG     74 MET  HN      4.21             (#peak   743)
 &rst
  ixpk= 743, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1163,1164,
 &end
#
#  74 MET  HA     74 MET  HG2     3.55             (#peak   734 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 734, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  74 MET  HA     74 MET  HG3     3.63             (#peak   733 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 733, nxpk= 0, iat=1173,1179, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  74 MET  HA     74 MET  QE      4.76             (#peak   739 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 739, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1182,1183,1184,
 &end
#
#  74 MET  HB2    75 GLY  HN      4.21             (#peak   354 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 354, nxpk= 0, iat=1175,1188, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  74 MET  HB3    75 GLY  HN      4.20             (#peak   355 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 355, nxpk= 0, iat=1176,1188, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  74 MET  HB3    77 ILE  QD1     3.58             (#peak   638 #SUP  0.84  #QF  0.41)
 &rst
  ixpk= 638, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1223,1224,1225,
 &end
#
#  74 MET  HN     74 MET  HB2     3.59             (#peak   368 #SUP  1.00)
 &rst
  ixpk= 368, nxpk= 0, iat=1171,1175, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  74 MET  HN     74 MET  HB3     4.07             (#peak   725 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 725, nxpk= 0, iat=1171,1176, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  74 MET  HN     74 MET  HG2     3.92             (#peak   365 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 365, nxpk= 0, iat=1171,1178, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  74 MET  HN     74 MET  HG3     3.57             (#peak   366 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 366, nxpk= 0, iat=1171,1179, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  74 MET  HN     74 MET  QE      4.68             (#peak   736 #SUP  1.00)
 &rst
  ixpk= 736, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1182,1183,1184,
 &end
#
#  74 MET  HN     75 GLY  HN      3.24             (#peak   351 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 351, nxpk= 0, iat=1171,1188, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  75 GLY  HA2    76 GLU- HN      3.35             (#peak   348 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 348, nxpk= 0, iat=1190,1195, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  75 GLY  HA3    76 GLU- HN      3.35             (#peak   347 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 347, nxpk= 0, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  75 GLY  HN     76 GLU- HN      4.66             (#peak   349 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 349, nxpk= 0, iat=1188,1195, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  75 GLY  QA     76 GLU- HB2     4.53             (#peak   721)
 &rst
  ixpk= 721, nxpk= 0, iat=  -1,1199, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1190,1191,
 &end
#
#  75 GLY  QA     76 GLU- HN      2.84             (#peak   347)
 &rst
  ixpk= 347, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr1=1190,1191,
 &end
#
#  76 GLU- HA     76 GLU- HG2     4.12             (#peak   713 #SUP  1.00)
 &rst
  ixpk= 713, nxpk= 0, iat=1197,1202, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  76 GLU- HA     76 GLU- HG3     4.12             (#peak   711 #SUP  1.00)
 &rst
  ixpk= 711, nxpk= 0, iat=1197,1203, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  76 GLU- HA     77 ILE  HN      3.18             (#peak   333 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 333, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  76 GLU- HB2    77 ILE  HN      4.59             (#peak   697 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 697, nxpk= 0, iat=1199,1210, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  76 GLU- HB3    77 ILE  HN      4.20             (#peak   340 #SUP  0.59  #QF  0.59)
 &rst
  ixpk= 340, nxpk= 0, iat=1200,1210, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76 GLU- HG2    77 ILE  HN      4.84             (#peak   336 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 336, nxpk= 0, iat=1202,1210, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  76 GLU- HG3    77 ILE  HN      4.84             (#peak   716 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 716, nxpk= 0, iat=1203,1210, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  76 GLU- HN     76 GLU- HB2     3.17             (#peak   341 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 341, nxpk= 0, iat=1195,1199, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  76 GLU- HN     76 GLU- HB3     3.13             (#peak   342 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 342, nxpk= 0, iat=1195,1200, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  76 GLU- HN     76 GLU- HG2     4.45             (#peak   343 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 343, nxpk= 0, iat=1195,1202, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  76 GLU- HN     76 GLU- HG3     4.45             (#peak   344 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 344, nxpk= 0, iat=1195,1203, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  76 GLU- HN     76 GLU- QG      3.78             (#peak   344)
 &rst
  ixpk= 344, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1202,1203,
 &end
#
#  76 GLU- HN     77 ILE  HN      4.71             (#peak   350 #SUP  1.00)
 &rst
  ixpk= 350, nxpk= 0, iat=1195,1210, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  76 GLU- QG     77 ILE  HN      4.25             (#peak   716)
 &rst
  ixpk= 716, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1202,1203,
 &end
#
#  77 ILE  HA     77 ILE  QG2     3.30             (#peak   688 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 688, nxpk= 0, iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1216,1217,1218,
 &end
#
#  77 ILE  HA     78 ILE  HN      3.16             (#peak   324 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 324, nxpk= 0, iat=1212,1229, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  77 ILE  HB     78 ILE  HN      3.35             (#peak   326 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 326, nxpk= 0, iat=1214,1229, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  77 ILE  HG13   79 GLN  HG2     5.36             (#peak   641 #SUP  0.95  #QF  0.84)
 &rst
  ixpk= 641, nxpk= 0, iat=1221,1255, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  77 ILE  HG13   79 GLN  HG3     4.47             (#peak   640 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 640, nxpk= 0, iat=1221,1256, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  77 ILE  HN     77 ILE  HB      4.00             (#peak   671 #SUP  1.00)
 &rst
  ixpk= 671, nxpk= 0, iat=1210,1214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  77 ILE  HN     77 ILE  HG12    3.56             (#peak   338 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 338, nxpk= 0, iat=1210,1220, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  77 ILE  HN     77 ILE  HG13    3.87             (#peak   337 #SUP  1.00)
 &rst
  ixpk= 337, nxpk= 0, iat=1210,1221, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  77 ILE  HN     77 ILE  QG2     3.82             (#peak   683 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 683, nxpk= 0, iat=1210,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1216,1217,1218,
 &end
#
#  77 ILE  QD1    79 GLN  HE21    4.46             (#peak   318 #SUP  0.83  #QF  0.60)
 &rst
  ixpk= 318, nxpk= 0, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1223,1224,1225,
 &end
#
#  77 ILE  QD1    79 GLN  HE22    4.46             (#peak   319 #SUP  0.86  #QF  0.32)
 &rst
  ixpk= 319, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1223,1224,1225,
 &end
#
#  77 ILE  QD1    79 GLN  HG3     4.23             (#peak   636 #SUP  0.86  #QF  0.56)
 &rst
  ixpk= 636, nxpk= 0, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1223,1224,1225,
 &end
#
#  77 ILE  QD1    79 GLN  QE2     3.75             (#peak   319)
 &rst
  ixpk= 319, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1223,1224,1225,
 igr2=1260,1261,
 &end
#
#  77 ILE  QG2    78 ILE  HN      3.72             (#peak   686 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 686, nxpk= 0, iat=  -1,1229, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1=1216,1217,1218,
 &end
#
#  78 ILE  HA     78 ILE  HG12    3.94             (#peak   647 #SUP  0.60  #QF  0.60)
 &rst
  ixpk= 647, nxpk= 0, iat=1231,1239, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  78 ILE  HA     78 ILE  HG13    3.94             (#peak   658 #SUP  1.00)
 &rst
  ixpk= 658, nxpk= 0, iat=1231,1240, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  78 ILE  HA     78 ILE  QD1     4.01             (#peak   669 #SUP  1.00)
 &rst
  ixpk= 669, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1242,1243,1244,
 &end
#
#  78 ILE  HA     78 ILE  QG2     3.34             (#peak   664 #SUP  1.00)
 &rst
  ixpk= 664, nxpk= 0, iat=1231,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1235,1236,1237,
 &end
#
#  78 ILE  HA     79 GLN  HN      2.95             (#peak   309 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 309, nxpk= 0, iat=1231,1248, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#  78 ILE  HB     78 ILE  QD1     3.44             (#peak   653 #SUP  0.94  #QF  0.77)
 &rst
  ixpk= 653, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1242,1243,1244,
 &end
#
#  78 ILE  HB     79 GLN  HN      4.56             (#peak   313 #SUP  0.70  #QF  0.70)
 &rst
  ixpk= 313, nxpk= 0, iat=1233,1248, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  78 ILE  HG12   79 GLN  HN      5.15             (#peak   315 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 315, nxpk= 0, iat=1239,1248, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  78 ILE  HG13   79 GLN  HN      5.15             (#peak   312 #SUP  1.00)
 &rst
  ixpk= 312, nxpk= 0, iat=1240,1248, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  78 ILE  HN     78 ILE  HB      3.48             (#peak   327 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 327, nxpk= 0, iat=1229,1233, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  78 ILE  HN     78 ILE  HG12    4.31             (#peak   329 #SUP  0.97  #QF  0.81)
 &rst
  ixpk= 329, nxpk= 0, iat=1229,1239, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  78 ILE  HN     78 ILE  HG13    4.31             (#peak   595 #SUP  0.89  #QF  0.62)
 &rst
  ixpk= 595, nxpk= 0, iat=1229,1240, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#  78 ILE  HN     78 ILE  QD1     3.61             (#peak   328 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 328, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1242,1243,1244,
 &end
#
#  78 ILE  HN     78 ILE  QG1     3.67             (#peak   595)
 &rst
  ixpk= 595, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1239,1240,
 &end
#
#  78 ILE  HN     78 ILE  QG2     4.23             (#peak   661 #SUP  1.00)
 &rst
  ixpk= 661, nxpk= 0, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1235,1236,1237,
 &end
#
#  78 ILE  HN     79 GLN  HN      4.87             (#peak   316 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 316, nxpk= 0, iat=1229,1248, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  78 ILE  QG1    79 GLN  HN      4.33             (#peak   315)
 &rst
  ixpk= 315, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1239,1240,
 &end
#
#  78 ILE  QG2    78 ILE  QG1     3.39             (#peak   666)
 &rst
  ixpk= 666, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1=1235,1236,1237,
 igr2=1239,1240,
 &end
#
#  78 ILE  QG2    79 GLN  HA      4.09             (#peak   662 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 662, nxpk= 0, iat=  -1,1250, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1235,1236,1237,
 &end
#
#  78 ILE  QG2    79 GLN  HN      3.42             (#peak   660 #SUP  1.00)
 &rst
  ixpk= 660, nxpk= 0, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1235,1236,1237,
 &end
#
#  78 ILE  QG2    80 LEU  HN      4.52             (#peak   659 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 659, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1235,1236,1237,
 &end
#
#  79 GLN  HA     79 GLN  HG2     4.15             (#peak   634 #SUP  1.00)
 &rst
  ixpk= 634, nxpk= 0, iat=1250,1255, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  79 GLN  HA     79 GLN  HG3     4.02             (#peak   613 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 613, nxpk= 0, iat=1250,1256, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  79 GLN  HA     80 LEU  HN      3.03             (#peak   298 #SUP  1.00  #QF  0.95)
 &rst
  ixpk= 298, nxpk= 0, iat=1250,1265, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  79 GLN  HG2    80 LEU  HN      4.72             (#peak   626 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 626, nxpk= 0, iat=1255,1265, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  79 GLN  HG3    80 LEU  HN      5.29             (#peak   625 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 625, nxpk= 0, iat=1256,1265, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  79 GLN  HN     79 GLN  HG2     4.82             (#peak   628 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 628, nxpk= 0, iat=1248,1255, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  79 GLN  HN     79 GLN  HG3     4.33             (#peak   310 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 310, nxpk= 0, iat=1248,1256, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  79 GLN  HN     79 GLN  QB      3.41             (#peak   311 #SUP  1.00)
 &rst
  ixpk= 311, nxpk= 0, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2=1252,1253,
 &end
#
#  79 GLN  HN     80 LEU  HN      4.82             (#peak   317 #SUP  1.00)
 &rst
  ixpk= 317, nxpk= 0, iat=1248,1265, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  79 GLN  QB     79 GLN  QE2     4.03             (#peak   320)
 &rst
  ixpk= 320, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1252,1253,
 igr2=1260,1261,
 &end
#
#  79 GLN  QB     80 LEU  HN      4.12             (#peak   617 #SUP  1.00)
 &rst
  ixpk= 617, nxpk= 0, iat=  -1,1265, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1252,1253,
 &end
#
#  80 LEU  HA     80 LEU  QD1     3.21             (#peak   597 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 597, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1274,1275,1276,
 &end
#
#  80 LEU  HA     80 LEU  QD2     4.03             (#peak   596 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 596, nxpk= 0, iat=1267,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1278,1279,1280,
 &end
#
#  80 LEU  HA     81 GLN  HN      3.10             (#peak   294 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 294, nxpk= 0, iat=1267,1284, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  80 LEU  HB2    81 GLN  HN      4.57             (#peak   585 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 585, nxpk= 0, iat=1269,1284, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  80 LEU  HB2    84 GLN  QG      4.43             (#peak   545)
 &rst
  ixpk= 545, nxpk= 0, iat=1269,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1327,1328,
 &end
#
#  80 LEU  HB3    81 GLN  HN      4.28             (#peak   288 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 288, nxpk= 0, iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  80 LEU  HB3    84 GLN  HN      4.57             (#peak   257 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 257, nxpk= 0, iat=1270,1320, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  80 LEU  HB3    84 GLN  QG      3.98             (#peak   533)
 &rst
  ixpk= 533, nxpk= 0, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1327,1328,
 &end
#
#  80 LEU  HG     84 GLN  HB2     4.39             (#peak   523 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 523, nxpk= 0, iat=1272,1324, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  80 LEU  HN     80 LEU  HB2     3.94             (#peak   303 #SUP  1.00)
 &rst
  ixpk= 303, nxpk= 0, iat=1265,1269, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  80 LEU  HN     80 LEU  HB3     3.51             (#peak   301 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 301, nxpk= 0, iat=1265,1270, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  80 LEU  HN     80 LEU  HG      4.83             (#peak   591 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 591, nxpk= 0, iat=1265,1272, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  80 LEU  HN     80 LEU  QD1     4.23             (#peak   593 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 593, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1274,1275,1276,
 &end
#
#  80 LEU  HN     80 LEU  QD2     4.50             (#peak   302 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 302, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1278,1279,1280,
 &end
#
#  80 LEU  HN     81 GLN  HN      5.50             (#peak   295 #SUP  1.00  #QF  0.89)
 &rst
  ixpk= 295, nxpk= 0, iat=1265,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  80 LEU  QD1    81 GLN  HN      4.03             (#peak   594 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1,1284, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1274,1275,1276,
 &end
#
#  80 LEU  QD1    84 GLN  QG      4.38             (#peak   602)
 &rst
  ixpk= 602, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1274,1275,1276,
 igr2=1327,1328,
 &end
#
#  80 LEU  QD2    84 GLN  HB2     3.84             (#peak   604 #SUP  1.00  #QF  0.88)
 &rst
  ixpk= 604, nxpk= 0, iat=  -1,1324, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1278,1279,1280,
 &end
#
#  80 LEU  QD2    84 GLN  HB3     4.10             (#peak   530 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 530, nxpk= 0, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=1278,1279,1280,
 &end
#
#  80 LEU  QD2    84 GLN  HG2     4.32             (#peak   605 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 605, nxpk= 0, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1278,1279,1280,
 &end
#
#  80 LEU  QD2    84 GLN  HG3     4.32             (#peak   544 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 544, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1278,1279,1280,
 &end
#
#  80 LEU  QD2    84 GLN  HN      4.52             (#peak   260 #SUP  0.71  #QF  0.71)
 &rst
  ixpk= 260, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1278,1279,1280,
 &end
#
#  80 LEU  QD2    84 GLN  QG      3.63             (#peak   605)
 &rst
  ixpk= 605, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1=1278,1279,1280,
 igr2=1327,1328,
 &end
#
#  81 GLN  HA     81 GLN  QG      3.72             (#peak   567)
 &rst
  ixpk= 567, nxpk= 0, iat=1286,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1291,1292,
 &end
#
#  81 GLN  HA     82 GLY  HN      3.01             (#peak   279 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 279, nxpk= 0, iat=1286,1301, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  81 GLN  HB2    82 GLY  HN      4.50             (#peak   284 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 284, nxpk= 0, iat=1288,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 GLN  HB3    82 GLY  HN      4.50             (#peak   570 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 570, nxpk= 0, iat=1289,1301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  81 GLN  HN     81 GLN  HB2     3.65             (#peak   289 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 289, nxpk= 0, iat=1284,1288, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  81 GLN  HN     81 GLN  HB3     3.65             (#peak   290 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 290, nxpk= 0, iat=1284,1289, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  81 GLN  HN     81 GLN  HG2     4.02             (#peak   291 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 291, nxpk= 0, iat=1284,1291, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  81 GLN  HN     81 GLN  HG3     4.02             (#peak   575 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 575, nxpk= 0, iat=1284,1292, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#  81 GLN  HN     81 GLN  QB      3.08             (#peak   289)
 &rst
  ixpk= 289, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1288,1289,
 &end
#
#  81 GLN  HN     81 GLN  QG      3.53             (#peak   575)
 &rst
  ixpk= 575, nxpk= 0, iat=1284,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1291,1292,
 &end
#
#  81 GLN  QB     82 GLY  HN      3.87             (#peak   570)
 &rst
  ixpk= 570, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1288,1289,
 &end
#
#  81 GLN  QG     82 GLY  HN      4.39             (#peak   282)
 &rst
  ixpk= 282, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1291,1292,
 &end
#
#  82 GLY  HA2    84 GLN  HE21    4.35             (#peak   562 #SUP  0.56  #QF  0.56)
 &rst
  ixpk= 562, nxpk= 0, iat=1303,1332, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  82 GLY  HA2    84 GLN  HE22    4.67             (#peak   264 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 264, nxpk= 0, iat=1303,1333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  82 GLY  HA3    84 GLN  HE21    4.35             (#peak   271 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 271, nxpk= 0, iat=1304,1332, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  82 GLY  HA3    84 GLN  HE22    4.67             (#peak   265 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 265, nxpk= 0, iat=1304,1333, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  82 GLY  QA     84 GLN  HE21    3.67             (#peak   271)
 &rst
  ixpk= 271, nxpk= 0, iat=  -1,1332, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=1303,1304,
 &end
#
#  82 GLY  QA     84 GLN  HE22    3.87             (#peak   265)
 &rst
  ixpk= 265, nxpk= 0, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1303,1304,
 &end
#
#  83 ASP- HA     84 GLN  HN      3.20             (#peak   252 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 252, nxpk= 0, iat=1310,1320, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  83 ASP- HA     85 ARG+ HN      4.12             (#peak   244 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 244, nxpk= 0, iat=1310,1337, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  83 ASP- QB     84 GLN  HN      4.25             (#peak   255)
 &rst
  ixpk= 255, nxpk= 0, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1312,1313,
 &end
#
#  84 GLN  HA     87 LYS+ HN      4.38             (#peak   230 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 230, nxpk= 0, iat=1322,1371, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  84 GLN  HA     87 LYS+ QB      4.39             (#peak   511)
 &rst
  ixpk= 511, nxpk= 0, iat=1322,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1375,1376,
 &end
#
#  84 GLN  HB2    84 GLN  HE21    4.75             (#peak   269 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 269, nxpk= 0, iat=1324,1332, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  84 GLN  HB2    87 LYS+ QB      4.36             (#peak   524)
 &rst
  ixpk= 524, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1375,1376,
 &end
#
#  84 GLN  HB2    88 VAL  QG2     3.63             (#peak   451 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 451, nxpk= 0, iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1403,1404,1405,
 &end
#
#  84 GLN  HB3    84 GLN  HE21    4.75             (#peak   266 #SUP  1.00)
 &rst
  ixpk= 266, nxpk= 0, iat=1325,1332, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  84 GLN  HB3    85 ARG+ HN      4.59             (#peak   238 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 238, nxpk= 0, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  84 GLN  HN     84 GLN  HB3     4.03             (#peak   258 #SUP  1.00)
 &rst
  ixpk= 258, nxpk= 0, iat=1320,1325, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  84 GLN  HN     84 GLN  QG      3.74             (#peak   256)
 &rst
  ixpk= 256, nxpk= 0, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1327,1328,
 &end
#
#  84 GLN  HN     85 ARG+ HA      4.91             (#peak   488 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 488, nxpk= 0, iat=1320,1339, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  84 GLN  HN     85 ARG+ HN      3.43             (#peak   248 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 248, nxpk= 0, iat=1320,1337, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  84 GLN  QG     84 GLN  HE22    3.48             (#peak   261)
 &rst
  ixpk= 261, nxpk= 0, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1327,1328,
 &end
#
#  85 ARG+ HA    105 ILE  QG2     4.69             (#peak    39 #SUP  0.66  #QF  0.66)
 &rst
  ixpk= 39, nxpk= 0, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1686,1687,1688,
 &end
#
#  85 ARG+ HA     85 ARG+ HG2     4.00             (#peak   483 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 483, nxpk= 0, iat=1339,1344, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  85 ARG+ HA     85 ARG+ HG3     4.00             (#peak   484 #SUP  1.00)
 &rst
  ixpk= 484, nxpk= 0, iat=1339,1345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  85 ARG+ HA     87 LYS+ HN      4.80             (#peak   228 #SUP  0.72  #QF  0.72)
 &rst
  ixpk= 228, nxpk= 0, iat=1339,1371, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  85 ARG+ HA     88 VAL  HB      4.05             (#peak   485 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 485, nxpk= 0, iat=1339,1397, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  85 ARG+ HA     88 VAL  HN      5.48             (#peak   487 #SUP  0.99  #QF  0.76)
 &rst
  ixpk= 487, nxpk= 0, iat=1339,1393, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  85 ARG+ HA     89 CYS  HN      4.83             (#peak   208 #SUP  1.00  #QF  0.80)
 &rst
  ixpk= 208, nxpk= 0, iat=1339,1409, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  85 ARG+ HD2   105 ILE  QG2     3.81             (#peak  1635 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 1635, nxpk= 0, iat=1347,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1686,1687,1688,
 &end
#
#  85 ARG+ HD3   105 ILE  QG2     3.81             (#peak  1675 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 1675, nxpk= 0, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1686,1687,1688,
 &end
#
#  85 ARG+ HN     85 ARG+ HD2     5.07             (#peak   789 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 789, nxpk= 0, iat=1337,1347, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  85 ARG+ HN     85 ARG+ HD3     5.07             (#peak   242 #SUP  1.00)
 &rst
  ixpk= 242, nxpk= 0, iat=1337,1348, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  85 ARG+ HN     85 ARG+ HG2     3.47             (#peak   239 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 239, nxpk= 0, iat=1337,1344, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  85 ARG+ HN     85 ARG+ HG3     3.47             (#peak   240 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 240, nxpk= 0, iat=1337,1345, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  85 ARG+ HN     85 ARG+ QB      3.34             (#peak   241)
 &rst
  ixpk= 241, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1341,1342,
 &end
#
#  85 ARG+ HN     85 ARG+ QD      4.32             (#peak   242)
 &rst
  ixpk= 242, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1347,1348,
 &end
#
#  85 ARG+ HN     86 ALA  HN      4.07             (#peak   247 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 247, nxpk= 0, iat=1337,1361, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  85 ARG+ HN     86 ALA  QB      4.59             (#peak   479 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 479, nxpk= 0, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1365,1366,1367,
 &end
#
#  85 ARG+ QB    105 ILE  QG2     3.87             (#peak   492)
 &rst
  ixpk= 492, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1341,1342,
 igr2=1686,1687,1688,
 &end
#
#  85 ARG+ QB    106 HIS  HN      4.99             (#peak     9)
 &rst
  ixpk= 9, nxpk= 0, iat=  -1,1699, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1341,1342,
 &end
#
#  85 ARG+ QB     86 ALA  HN      4.25             (#peak   234)
 &rst
  ixpk= 234, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1341,1342,
 &end
#
#  85 ARG+ QD    105 ILE  QG2     3.26             (#peak  1635)
 &rst
  ixpk= 1635, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1=1347,1348,
 igr2=1686,1687,1688,
 &end
#
#  85 ARG+ QG     86 ALA  HN      4.43             (#peak   233)
 &rst
  ixpk= 233, nxpk= 0, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1344,1345,
 &end
#
#  86 ALA  HA    105 ILE  QD1     4.00             (#peak    43 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 43, nxpk= 0, iat=1363,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1693,1694,1695,
 &end
#
#  86 ALA  HA     89 CYS  HB2     4.09             (#peak   410 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 410, nxpk= 0, iat=1363,1413, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  86 ALA  HA     89 CYS  HB3     3.75             (#peak   473 #SUP  1.00)
 &rst
  ixpk= 473, nxpk= 0, iat=1363,1414, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  86 ALA  HA     89 CYS  HN      4.10             (#peak   206 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 206, nxpk= 0, iat=1363,1409, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  86 ALA  HN     86 ALA  QB      3.60             (#peak   232 #SUP  1.00)
 &rst
  ixpk= 232, nxpk= 0, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1365,1366,1367,
 &end
#
#  86 ALA  HN     87 LYS+ HN      3.38             (#peak   231 #SUP  0.98  #QF  0.72)
 &rst
  ixpk= 231, nxpk= 0, iat=1361,1371, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  86 ALA  QB     87 LYS+ HN      3.13             (#peak   224 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 224, nxpk= 0, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=1365,1366,1367,
 &end
#
#  86 ALA  QB     89 CYS  HB3     4.57             (#peak   414 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 414, nxpk= 0, iat=  -1,1414, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1365,1366,1367,
 &end
#
#  87 LYS+ HA     87 LYS+ HG2     3.92             (#peak   465 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 465, nxpk= 0, iat=1373,1378, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  87 LYS+ HA     87 LYS+ HG3     3.92             (#peak   466 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 466, nxpk= 0, iat=1373,1379, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  87 LYS+ HA     87 LYS+ QG      3.38             (#peak   465)
 &rst
  ixpk= 465, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1378,1379,
 &end
#
#  87 LYS+ HB2    87 LYS+ QE      4.53             (#peak   464 #SUP  1.00)
 &rst
  ixpk= 464, nxpk= 0, iat=1375,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1384,1385,
 &end
#
#  87 LYS+ HB2    88 VAL  HN      3.83             (#peak   219 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 219, nxpk= 0, iat=1375,1393, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  87 LYS+ HB3    87 LYS+ QE      4.53             (#peak   463 #SUP  1.00)
 &rst
  ixpk= 463, nxpk= 0, iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1384,1385,
 &end
#
#  87 LYS+ HB3    88 VAL  HN      3.83             (#peak   218 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 218, nxpk= 0, iat=1376,1393, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  87 LYS+ HN     87 LYS+ HG2     4.46             (#peak   468 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 468, nxpk= 0, iat=1371,1378, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  87 LYS+ HN     87 LYS+ HG3     4.46             (#peak   469 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 469, nxpk= 0, iat=1371,1379, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  87 LYS+ HN     87 LYS+ QB      3.10             (#peak   225)
 &rst
  ixpk= 225, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2=1375,1376,
 &end
#
#  87 LYS+ HN     87 LYS+ QD      4.33             (#peak   226 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 226, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1381,1382,
 &end
#
#  87 LYS+ HN     87 LYS+ QG      3.70             (#peak   469)
 &rst
  ixpk= 469, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1378,1379,
 &end
#
#  87 LYS+ HN     88 VAL  HN      3.46             (#peak   222 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 222, nxpk= 0, iat=1371,1393, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  87 LYS+ HN     88 VAL  QG2     4.70             (#peak   227 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 227, nxpk= 0, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1403,1404,1405,
 &end
#
#  87 LYS+ QB     87 LYS+ QE      3.97             (#peak   463)
 &rst
  ixpk= 463, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1375,1376,
 igr2=1384,1385,
 &end
#
#  88 VAL  HA     88 VAL  QG1     3.23             (#peak   422 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 422, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2=1399,1400,1401,
 &end
#
#  88 VAL  HA     88 VAL  QG2     3.18             (#peak   452 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 452, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1403,1404,1405,
 &end
#
#  88 VAL  HA     91 PHE  HB2     3.81             (#peak   424 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 424, nxpk= 0, iat=1395,1439, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  88 VAL  HA     91 PHE  HB3     3.81             (#peak   425 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 425, nxpk= 0, iat=1395,1440, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  88 VAL  HA     91 PHE  HN      3.96             (#peak   429 #SUP  1.00)
 &rst
  ixpk= 429, nxpk= 0, iat=1395,1435, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  88 VAL  HA     91 PHE  QB      3.21             (#peak   425)
 &rst
  ixpk= 425, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1439,1440,
 &end
#
#  88 VAL  HA     91 PHE  QD      4.51             (#peak   426 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 426, nxpk= 0, iat=1395,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1443,1451,
 &end
#
#  88 VAL  HB     89 CYS  HN      3.64             (#peak   211 #SUP  1.00)
 &rst
  ixpk= 211, nxpk= 0, iat=1397,1409, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  88 VAL  HN     88 VAL  HB      3.31             (#peak   217 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 217, nxpk= 0, iat=1393,1397, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  88 VAL  HN     88 VAL  QG1     3.90             (#peak   436 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 436, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1399,1400,1401,
 &end
#
#  88 VAL  HN     88 VAL  QG2     3.20             (#peak   220 #SUP  1.00)
 &rst
  ixpk= 220, nxpk= 0, iat=1393,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1403,1404,1405,
 &end
#
#  88 VAL  HN     89 CYS  HB2     5.37             (#peak   803 #SUP  0.73  #QF  0.73)
 &rst
  ixpk= 803, nxpk= 0, iat=1393,1413, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  88 VAL  HN     89 CYS  HN      3.41             (#peak   214 #SUP  1.00)
 &rst
  ixpk= 214, nxpk= 0, iat=1393,1409, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  88 VAL  QG1    89 CYS  HA      3.94             (#peak   400 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 400, nxpk= 0, iat=  -1,1411, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    89 CYS  HB2     4.80             (#peak   419 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 419, nxpk= 0, iat=  -1,1413, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    89 CYS  HN      3.69             (#peak   212 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 212, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    91 PHE  HN      4.88             (#peak   195 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 195, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    91 PHE  QB      4.56             (#peak   442)
 &rst
  ixpk= 442, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1=1399,1400,1401,
 igr2=1439,1440,
 &end
#
#  88 VAL  QG1    91 PHE  QD      4.51             (#peak   370 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 370, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1399,1400,1401,
 igr2=1443,1451,
 &end
#
#  88 VAL  QG1    92 MET  HB2     4.53             (#peak   443 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 443, nxpk= 0, iat=  -1,1459, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    92 MET  HG2     3.76             (#peak   441 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 441, nxpk= 0, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    92 MET  HG3     3.61             (#peak   317 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 317, nxpk= 0, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    92 MET  HN      4.45             (#peak   176 #SUP  1.00)
 &rst
  ixpk= 176, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1399,1400,1401,
 &end
#
#  88 VAL  QG1    92 MET  QE      2.82             (#peak   339 #SUP  0.58  #QF  0.58)
 &rst
  ixpk= 339, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1=1399,1400,1401,
 igr2=1466,1467,1468,
 &end
#
#  88 VAL  QG2    89 CYS  HN      4.43             (#peak   453 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 453, nxpk= 0, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1403,1404,1405,
 &end
#
#  89 CYS  HA    103 ILE  QG2     3.77             (#peak   399 #SUP  0.95  #QF  0.81)
 &rst
  ixpk= 399, nxpk= 0, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1645,1646,1647,
 &end
#
#  89 CYS  HA     92 MET  HB2     3.84             (#peak   401 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 401, nxpk= 0, iat=1411,1459, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  89 CYS  HA     92 MET  HG2     4.23             (#peak   402 #SUP  0.67  #QF  0.67)
 &rst
  ixpk= 402, nxpk= 0, iat=1411,1462, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  89 CYS  HA     92 MET  HN      4.17             (#peak   406 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 406, nxpk= 0, iat=1411,1455, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  89 CYS  HA     93 ILE  HN      4.74             (#peak   167 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 167, nxpk= 0, iat=1411,1472, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  89 CYS  HB2   103 ILE  QD1     4.61             (#peak    78 #SUP  0.95  #QF  0.87)
 &rst
  ixpk= 78, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1652,1653,1654,
 &end
#
#  89 CYS  HB2   103 ILE  QG2     4.23             (#peak    70 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 70, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1645,1646,1647,
 &end
#
#  89 CYS  HB2   105 ILE  QD1     3.53             (#peak    41 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 41, nxpk= 0, iat=1413,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1693,1694,1695,
 &end
#
#  89 CYS  HB2    90 GLU- HN      3.80             (#peak   412 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 412, nxpk= 0, iat=1413,1420, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  89 CYS  HB3   105 ILE  QD1     3.78             (#peak    42 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 42, nxpk= 0, iat=1414,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2=1693,1694,1695,
 &end
#
#  89 CYS  HB3    90 GLU- HN      3.49             (#peak   202 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 202, nxpk= 0, iat=1414,1420, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  89 CYS  HN    105 ILE  QD1     5.04             (#peak    44 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 44, nxpk= 0, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1693,1694,1695,
 &end
#
#  89 CYS  HN     89 CYS  HB2     3.29             (#peak   210 #SUP  1.00)
 &rst
  ixpk= 210, nxpk= 0, iat=1409,1413, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  89 CYS  HN     89 CYS  HB3     3.32             (#peak   209 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 209, nxpk= 0, iat=1409,1414, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  90 GLU- HA     90 GLU- QB      2.95             (#peak   389 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 389, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,
 igr2=1424,1425,
 &end
#
#  90 GLU- HA     90 GLU- QG      3.48             (#peak   398 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 398, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2=1427,1428,
 &end
#
#  90 GLU- HA     92 MET  HN      4.62             (#peak   387 #SUP  0.94  #QF  0.23)
 &rst
  ixpk= 387, nxpk= 0, iat=1422,1455, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  90 GLU- HA     93 ILE  HB      3.30             (#peak   391 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 391, nxpk= 0, iat=1422,1476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  90 GLU- HA     93 ILE  QD1     3.49             (#peak   284 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 284, nxpk= 0, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2=1485,1486,1487,
 &end
#
#  90 GLU- HA     94 SER  HN      4.91             (#peak   387 #SUP  0.94  #QF  0.23)
 &rst
  ixpk= 387, nxpk= 0, iat=1422,1491, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  90 GLU- HN    103 ILE  QD1     5.28             (#peak    71 #SUP  0.43  #QF  0.43)
 &rst
  ixpk= 71, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2=1652,1653,1654,
 &end
#
#  90 GLU- HN     90 GLU- QB      2.98             (#peak   205 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 205, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2=1424,1425,
 &end
#
#  90 GLU- HN     90 GLU- QG      3.90             (#peak   397 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 397, nxpk= 0, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1427,1428,
 &end
#
#  90 GLU- HN     91 PHE  HN      3.44             (#peak   197 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 197, nxpk= 0, iat=1420,1435, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  90 GLU- QB     91 PHE  HN      3.48             (#peak   194 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 194, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1424,1425,
 &end
#
#  90 GLU- QB     92 MET  HN      5.30             (#peak   395 #SUP  0.82  #QF  0.67)
 &rst
  ixpk= 395, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1424,1425,
 &end
#
#  90 GLU- QB     94 SER  HN      5.50             (#peak   395 #SUP  0.82  #QF  0.67)
 &rst
  ixpk= 395, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#  90 GLU- QG     91 PHE  HN      4.42             (#peak   193 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 193, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1427,1428,
 &end
#
#  90 GLU- QG     93 ILE  QD1     4.15             (#peak   279 #SUP  0.87  #QF  0.87)
 &rst
  ixpk= 279, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1427,1428,
 igr2=1485,1486,1487,
 &end
#
#  90 GLU- QG     93 ILE  QG2     4.58             (#peak   280 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 280, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1427,1428,
 igr2=1478,1479,1480,
 &end
#
#  90 GLU- QG     94 SER  HN      5.19             (#peak   158 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 158, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1427,1428,
 &end
#
#  90 GLU- QG     94 SER  QB      4.14             (#peak   243 #SUP  0.62  #QF  0.62)
 &rst
  ixpk= 243, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1427,1428,
 igr2=1495,1496,
 &end
#
#  91 PHE  HA     91 PHE  QD      3.71             (#peak   342 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 342, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1443,1451,
 &end
#
#  91 PHE  HA     94 SER  HN      3.89             (#peak   160 #SUP  0.26  #QF  0.26)
 &rst
  ixpk= 160, nxpk= 0, iat=1437,1491, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  91 PHE  HA     95 GLN  HB2     4.44             (#peak   346 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 346, nxpk= 0, iat=1437,1506, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  91 PHE  HA     95 GLN  HN      4.03             (#peak   140 #SUP  0.80  #QF  0.80)
 &rst
  ixpk= 140, nxpk= 0, iat=1437,1502, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  91 PHE  HA     95 GLN  QG      3.71             (#peak   345 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 345, nxpk= 0, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1509,1510,
 &end
#
#  91 PHE  HB2    92 MET  HN      4.18             (#peak   180 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 180, nxpk= 0, iat=1439,1455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  91 PHE  HB3    92 MET  HN      4.18             (#peak   182 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 182, nxpk= 0, iat=1440,1455, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  91 PHE  HN     91 PHE  HB2     3.34             (#peak   192 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 192, nxpk= 0, iat=1435,1439, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  91 PHE  HN     91 PHE  HB3     3.34             (#peak   191 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 191, nxpk= 0, iat=1435,1440, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  91 PHE  HN     91 PHE  QD      4.51             (#peak   196 #SUP  1.00)
 &rst
  ixpk= 196, nxpk= 0, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1443,1451,
 &end
#
#  91 PHE  HN     92 MET  HN      3.49             (#peak   198 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 198, nxpk= 0, iat=1435,1455, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  91 PHE  HN     92 MET  QE      5.50             (#peak   334 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 334, nxpk= 0, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1466,1467,1468,
 &end
#
#  91 PHE  HZ     95 GLN  HB2     5.29             (#peak  1617 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1617, nxpk= 0, iat=1447,1506, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  91 PHE  HZ     95 GLN  HB3     5.10             (#peak   224 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 224, nxpk= 0, iat=1447,1507, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  91 PHE  HZ     96 LEU  QD2     3.92             (#peak   379 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 379, nxpk= 0, iat=1447,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1532,1533,1534,
 &end
#
#  91 PHE  QB     92 MET  HN      3.41             (#peak   182)
 &rst
  ixpk= 182, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1439,1440,
 &end
#
#  91 PHE  QD     92 MET  HA      4.01             (#peak   289 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 289, nxpk= 0, iat=  -1,1457, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     92 MET  HG2     4.18             (#peak   327 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 327, nxpk= 0, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     92 MET  HG3     4.00             (#peak   325 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 325, nxpk= 0, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     92 MET  HN      4.10             (#peak   186 #SUP  1.00)
 &rst
  ixpk= 186, nxpk= 0, iat=  -1,1455, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     92 MET  QE      3.79             (#peak   332 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 332, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1=1443,1451,
 igr2=1466,1467,1468,
 &end
#
#  91 PHE  QD     95 GLN  HB2     4.52             (#peak  1618 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1618, nxpk= 0, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     95 GLN  HB3     5.01             (#peak   225 #SUP  1.00)
 &rst
  ixpk= 225, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     95 GLN  QG      3.68             (#peak  1660 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1660, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1=1443,1451,
 igr2=1509,1510,
 &end
#
#  91 PHE  QD     96 LEU  HG      4.56             (#peak   201 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 201, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1443,1451,
 &end
#
#  91 PHE  QD     96 LEU  QD1     4.08             (#peak   179 #SUP  0.61  #QF  0.61)
 &rst
  ixpk= 179, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1443,1451,
 igr2=1528,1529,1530,
 &end
#
#  91 PHE  QE     92 MET  HA      4.63             (#peak   300 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 300, nxpk= 0, iat=  -1,1457, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1445,1449,
 &end
#
#  91 PHE  QE     92 MET  HG2     4.81             (#peak   328 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 328, nxpk= 0, iat=  -1,1462, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1445,1449,
 &end
#
#  91 PHE  QE     92 MET  QE      4.03             (#peak   331 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 331, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1445,1449,
 igr2=1466,1467,1468,
 &end
#
#  91 PHE  QE     95 GLN  HB2     4.77             (#peak  1617 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1617, nxpk= 0, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1445,1449,
 &end
#
#  91 PHE  QE     95 GLN  HB3     4.52             (#peak   376 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 376, nxpk= 0, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1445,1449,
 &end
#
#  91 PHE  QE     95 GLN  QG      3.89             (#peak  1659 #SUP  1.00  #QF  0.99)
 &rst
  ixpk= 1659, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1=1445,1449,
 igr2=1509,1510,
 &end
#
#  91 PHE  QE     96 LEU  HG      4.17             (#peak   202 #SUP  1.00)
 &rst
  ixpk= 202, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1445,1449,
 &end
#
#  91 PHE  QE     96 LEU  QD1     3.35             (#peak   178 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 178, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1445,1449,
 igr2=1528,1529,1530,
 &end
#
#  91 PHE  QE     96 LEU  QD2     3.58             (#peak   373 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 373, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1445,1449,
 igr2=1532,1533,1534,
 &end
#
#  92 MET  HA     92 MET  HG2     3.59             (#peak   324 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 324, nxpk= 0, iat=1457,1462, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  92 MET  HA     92 MET  HG3     3.84             (#peak   323 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 323, nxpk= 0, iat=1457,1463, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  92 MET  HA     96 LEU  HB2     3.57             (#peak   294 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 294, nxpk= 0, iat=1457,1523, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  92 MET  HA     96 LEU  HB3     4.49             (#peak   296 #SUP  1.00)
 &rst
  ixpk= 296, nxpk= 0, iat=1457,1524, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  92 MET  HA     96 LEU  HG      3.76             (#peak   297 #SUP  1.00)
 &rst
  ixpk= 297, nxpk= 0, iat=1457,1526, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  92 MET  HA     96 LEU  HN      4.03             (#peak   125 #SUP  1.00)
 &rst
  ixpk= 125, nxpk= 0, iat=1457,1519, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  92 MET  HA     96 LEU  QD1     3.58             (#peak   299 #SUP  1.00)
 &rst
  ixpk= 299, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1528,1529,1530,
 &end
#
#  92 MET  HA     96 LEU  QD2     4.35             (#peak   191 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 191, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1532,1533,1534,
 &end
#
#  92 MET  HA     98 LEU  HN      5.06             (#peak   106 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 106, nxpk= 0, iat=1457,1545, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  92 MET  HA     98 LEU  QD1     4.05             (#peak   298 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 298, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1554,1555,1556,
 &end
#
#  92 MET  HB2   103 ILE  QD1     3.52             (#peak    80 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 80, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2=1652,1653,1654,
 &end
#
#  92 MET  HB2    93 ILE  HN      3.82             (#peak   169 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 169, nxpk= 0, iat=1459,1472, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  92 MET  HB2    94 SER  HN      5.50             (#peak   158 #SUP  0.98  #QF  0.96)
 &rst
  ixpk= 158, nxpk= 0, iat=1459,1491, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  92 MET  HB2    98 LEU  HB2     4.60             (#peak   310 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 310, nxpk= 0, iat=1459,1549, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  92 MET  HB2    98 LEU  HB3     5.26             (#peak   156 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 156, nxpk= 0, iat=1459,1550, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#  92 MET  HB2    98 LEU  QD1     4.02             (#peak   172 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 172, nxpk= 0, iat=1459,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1554,1555,1556,
 &end
#
#  92 MET  HB3   103 ILE  QD1     3.36             (#peak    82 #SUP  0.95  #QF  0.79)
 &rst
  ixpk= 82, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1652,1653,1654,
 &end
#
#  92 MET  HB3    93 ILE  HN      4.46             (#peak   305 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 305, nxpk= 0, iat=1460,1472, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  92 MET  HB3    98 LEU  HB2     4.10             (#peak   153 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 153, nxpk= 0, iat=1460,1549, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  92 MET  HB3    98 LEU  HB3     4.50             (#peak   154 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 154, nxpk= 0, iat=1460,1550, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  92 MET  HB3    98 LEU  HN      4.78             (#peak   108 #SUP  0.84  #QF  0.84)
 &rst
  ixpk= 108, nxpk= 0, iat=1460,1545, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  92 MET  HB3    98 LEU  QD1     3.53             (#peak   311 #SUP  1.00  #QF  0.97)
 &rst
  ixpk= 311, nxpk= 0, iat=1460,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1554,1555,1556,
 &end
#
#  92 MET  HG2   103 ILE  QD1     4.08             (#peak    79 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 79, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1652,1653,1654,
 &end
#
#  92 MET  HG2    93 ILE  HN      4.71             (#peak   329 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 329, nxpk= 0, iat=1462,1472, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  92 MET  HG2    96 LEU  QD1     3.77             (#peak   313 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 313, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2=1528,1529,1530,
 &end
#
#  92 MET  HG2    98 LEU  QD1     4.57             (#peak   171 #SUP  1.00)
 &rst
  ixpk= 171, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1554,1555,1556,
 &end
#
#  92 MET  HG3   103 ILE  QD1     4.27             (#peak    77 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 77, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2=1652,1653,1654,
 &end
#
#  92 MET  HG3    92 MET  QE      3.66             (#peak   336 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 336, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1466,1467,1468,
 &end
#
#  92 MET  HG3    96 LEU  QD1     4.51             (#peak   318 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 318, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1528,1529,1530,
 &end
#
#  92 MET  HG3    98 LEU  QD1     4.41             (#peak   170 #SUP  1.00)
 &rst
  ixpk= 170, nxpk= 0, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1554,1555,1556,
 &end
#
#  92 MET  HN    103 ILE  QD1     4.40             (#peak   175 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 175, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1652,1653,1654,
 &end
#
#  92 MET  HN     92 MET  HB2     3.43             (#peak   178 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 178, nxpk= 0, iat=1455,1459, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#  92 MET  HN     92 MET  HB3     3.77             (#peak   177 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 177, nxpk= 0, iat=1455,1460, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  92 MET  HN     92 MET  HG2     3.57             (#peak   330 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 330, nxpk= 0, iat=1455,1462, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  92 MET  HN     92 MET  HG3     3.53             (#peak   326 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 326, nxpk= 0, iat=1455,1463, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  92 MET  HN     92 MET  QE      4.48             (#peak   333 #SUP  1.00)
 &rst
  ixpk= 333, nxpk= 0, iat=1455,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1466,1467,1468,
 &end
#
#  92 MET  HN     93 ILE  HG13    4.60             (#peak   265 #SUP  0.92  #QF  0.76)
 &rst
  ixpk= 265, nxpk= 0, iat=1455,1483, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  92 MET  HN     93 ILE  HN      3.52             (#peak   164 #SUP  0.99  #QF  0.88)
 &rst
  ixpk= 164, nxpk= 0, iat=1455,1472, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  93 ILE  HA     93 ILE  HG12    3.79             (#peak   262 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 262, nxpk= 0, iat=1474,1482, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  93 ILE  HA     93 ILE  HG13    3.72             (#peak   252 #SUP  1.00)
 &rst
  ixpk= 252, nxpk= 0, iat=1474,1483, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  93 ILE  HA     93 ILE  QD1     4.07             (#peak   254 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 254, nxpk= 0, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=1485,1486,1487,
 &end
#
#  93 ILE  HA     93 ILE  QG2     3.17             (#peak   270 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 270, nxpk= 0, iat=1474,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2=1478,1479,1480,
 &end
#
#  93 ILE  HA     97 GLY  HN      4.47             (#peak   118 #SUP  0.78  #QF  0.78)
 &rst
  ixpk= 118, nxpk= 0, iat=1474,1538, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  93 ILE  HA     98 LEU  HB2     4.26             (#peak   253 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 253, nxpk= 0, iat=1474,1549, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  93 ILE  HA     98 LEU  HB3     4.75             (#peak   152 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 152, nxpk= 0, iat=1474,1550, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  93 ILE  HA     98 LEU  HN      3.51             (#peak   104 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 104, nxpk= 0, iat=1474,1545, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  93 ILE  HB     93 ILE  QD1     3.43             (#peak   260 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 260, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1485,1486,1487,
 &end
#
#  93 ILE  HB     94 SER  HA      4.61             (#peak   237 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 237, nxpk= 0, iat=1476,1493, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  93 ILE  HB     94 SER  HN      3.29             (#peak   156 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 156, nxpk= 0, iat=1476,1491, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  93 ILE  HB     94 SER  QB      4.47             (#peak   245 #SUP  0.89  #QF  0.89)
 &rst
  ixpk= 245, nxpk= 0, iat=1476,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1495,1496,
 &end
#
#  93 ILE  HG13  103 ILE  QD1     3.07             (#peak    81 #SUP  1.00  #QF  0.30)
 &rst
  ixpk= 81, nxpk= 0, iat=1483,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1652,1653,1654,
 &end
#
#  93 ILE  HG13   94 SER  HN      4.55             (#peak   155 #SUP  1.00)
 &rst
  ixpk= 155, nxpk= 0, iat=1483,1491, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  93 ILE  HN    103 ILE  QD1     4.47             (#peak    72 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 72, nxpk= 0, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2=1652,1653,1654,
 &end
#
#  93 ILE  HN     93 ILE  HB      3.14             (#peak   170 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 170, nxpk= 0, iat=1472,1476, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  93 ILE  HN     93 ILE  HG12    3.89             (#peak   174 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 174, nxpk= 0, iat=1472,1482, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  93 ILE  HN     93 ILE  HG13    3.37             (#peak   171 #SUP  1.00)
 &rst
  ixpk= 171, nxpk= 0, iat=1472,1483, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  93 ILE  HN     93 ILE  QD1     3.66             (#peak   285 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 285, nxpk= 0, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1485,1486,1487,
 &end
#
#  93 ILE  HN     93 ILE  QG2     3.84             (#peak   269 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 269, nxpk= 0, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1478,1479,1480,
 &end
#
#  93 ILE  HN     94 SER  HN      3.44             (#peak   162 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 162, nxpk= 0, iat=1472,1491, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  93 ILE  HN     94 SER  QB      4.64             (#peak   241 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 241, nxpk= 0, iat=1472,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1495,1496,
 &end
#
#  93 ILE  HN     95 GLN  HN      4.53             (#peak   147 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 147, nxpk= 0, iat=1472,1502, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  93 ILE  QD1   100 LYS+ HA      3.24             (#peak   122 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 122, nxpk= 0, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1=1485,1486,1487,
 &end
#
#  93 ILE  QD1   100 LYS+ HN      4.79             (#peak    79 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 79, nxpk= 0, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=1485,1486,1487,
 &end
#
#  93 ILE  QD1   100 LYS+ QB      2.83             (#peak   276 #SUP  0.57  #QF  0.57)
 &rst
  ixpk= 276, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr1=1485,1486,1487,
 igr2=1585,1586,
 &end
#
#  93 ILE  QD1   100 LYS+ QE      4.01             (#peak   282 #SUP  0.54  #QF  0.54)
 &rst
  ixpk= 282, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1=1485,1486,1487,
 igr2=1594,1595,
 &end
#
#  93 ILE  QD1    94 SER  HN      5.02             (#peak   153 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 153, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1485,1486,1487,
 &end
#
#  93 ILE  QG2   100 LYS+ HA      3.96             (#peak   272 #SUP  0.82  #QF  0.82)
 &rst
  ixpk= 272, nxpk= 0, iat=  -1,1583, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1478,1479,1480,
 &end
#
#  93 ILE  QG2    94 SER  HA      4.00             (#peak   273 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 273, nxpk= 0, iat=  -1,1493, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1478,1479,1480,
 &end
#
#  93 ILE  QG2    94 SER  HN      4.02             (#peak   154 #SUP  1.00)
 &rst
  ixpk= 154, nxpk= 0, iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1478,1479,1480,
 &end
#
#  93 ILE  QG2    94 SER  QB      4.43             (#peak   246 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 246, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1=1478,1479,1480,
 igr2=1495,1496,
 &end
#
#  94 SER  HN     94 SER  QB      3.20             (#peak   239 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 239, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1495,1496,
 &end
#
#  94 SER  HN     95 GLN  HN      3.39             (#peak   163 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 163, nxpk= 0, iat=1491,1502, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  94 SER  HN     95 GLN  QG      4.52             (#peak  1656 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 1656, nxpk= 0, iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1509,1510,
 &end
#
#  94 SER  HN     96 LEU  HN      4.79             (#peak   136 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 136, nxpk= 0, iat=1491,1519, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  94 SER  QB     95 GLN  HB2     4.90             (#peak   247 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 247, nxpk= 0, iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1495,1496,
 &end
#
#  94 SER  QB     95 GLN  HE21    4.75             (#peak   150 #SUP  1.00)
 &rst
  ixpk= 150, nxpk= 0, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1495,1496,
 &end
#
#  94 SER  QB     95 GLN  HE22    4.75             (#peak   152 #SUP  1.00)
 &rst
  ixpk= 152, nxpk= 0, iat=  -1,1515, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1495,1496,
 &end
#
#  94 SER  QB     95 GLN  HN      3.72             (#peak   240 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 240, nxpk= 0, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1=1495,1496,
 &end
#
#  94 SER  QB     95 GLN  QE2     3.99             (#peak   150)
 &rst
  ixpk= 150, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=1495,1496,
 igr2=1514,1515,
 &end
#
#  94 SER  QB     95 GLN  QG      3.93             (#peak   244 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 244, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1495,1496,
 igr2=1509,1510,
 &end
#
#  95 GLN  HA     95 GLN  QG      3.45             (#peak   231 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 231, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1509,1510,
 &end
#
#  95 GLN  HA     97 GLY  HN      4.75             (#peak   119 #SUP  0.94  #QF  0.58)
 &rst
  ixpk= 119, nxpk= 0, iat=1504,1538, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  95 GLN  HB2    96 LEU  HN      3.79             (#peak   132 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 132, nxpk= 0, iat=1506,1519, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  95 GLN  HB2    97 GLY  HN      5.12             (#peak   115 #SUP  0.99  #QF  0.91)
 &rst
  ixpk= 115, nxpk= 0, iat=1506,1538, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  95 GLN  HB3    96 LEU  HN      4.16             (#peak   129 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 129, nxpk= 0, iat=1507,1519, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  95 GLN  HN     95 GLN  HB2     3.47             (#peak   137 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 137, nxpk= 0, iat=1502,1506, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  95 GLN  HN     95 GLN  HB3     3.85             (#peak   138 #SUP  1.00)
 &rst
  ixpk= 138, nxpk= 0, iat=1502,1507, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  95 GLN  HN     95 GLN  QE2     4.71             (#peak   146)
 &rst
  ixpk= 146, nxpk= 0, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2=1514,1515,
 &end
#
#  95 GLN  HN     95 GLN  QG      3.45             (#peak  1657 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1657, nxpk= 0, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1509,1510,
 &end
#
#  95 GLN  HN     96 LEU  HN      3.24             (#peak   144 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 144, nxpk= 0, iat=1502,1519, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  95 GLN  HN     97 GLY  HN      4.36             (#peak   145 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 145, nxpk= 0, iat=1502,1538, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  95 GLN  QG     96 LEU  HN      4.65             (#peak   126 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 126, nxpk= 0, iat=  -1,1519, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1509,1510,
 &end
#
#  96 LEU  HA     96 LEU  HG      4.25             (#peak   199 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 199, nxpk= 0, iat=1521,1526, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  96 LEU  HA     96 LEU  QD1     4.09             (#peak   181 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 181, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1528,1529,1530,
 &end
#
#  96 LEU  HA     96 LEU  QD2     2.97             (#peak   192 #SUP  0.92  #QF  0.92)
 &rst
  ixpk= 192, nxpk= 0, iat=1521,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1532,1533,1534,
 &end
#
#  96 LEU  HB2    96 LEU  QD1     3.26             (#peak   186 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 186, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2=1528,1529,1530,
 &end
#
#  96 LEU  HB2    96 LEU  QD2     3.57             (#peak   190 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 190, nxpk= 0, iat=1523,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1532,1533,1534,
 &end
#
#  96 LEU  HB2    97 GLY  HN      4.58             (#peak   117 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 117, nxpk= 0, iat=1523,1538, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  96 LEU  HB2    98 LEU  HA      4.93             (#peak   140 #SUP  0.90  #QF  0.76)
 &rst
  ixpk= 140, nxpk= 0, iat=1523,1547, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  96 LEU  HB2    98 LEU  HN      3.90             (#peak   203 #SUP  0.74  #QF  0.74)
 &rst
  ixpk= 203, nxpk= 0, iat=1523,1545, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  96 LEU  HB3    96 LEU  QD1     3.29             (#peak   187 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 187, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1528,1529,1530,
 &end
#
#  96 LEU  HB3    96 LEU  QD2     3.48             (#peak  1054 #SUP  1.00  #QF  0.98)
 &rst
  ixpk= 1054, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1532,1533,1534,
 &end
#
#  96 LEU  HB3    97 GLY  HN      4.67             (#peak   116 #SUP  1.00)
 &rst
  ixpk= 116, nxpk= 0, iat=1524,1538, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  96 LEU  HB3    98 LEU  HN      4.29             (#peak  1043 #SUP  0.80  #QF  0.64)
 &rst
  ixpk= 1043, nxpk= 0, iat=1524,1545, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  96 LEU  HB3    98 LEU  QD1     3.64             (#peak  1053 #SUP  0.75  #QF  0.37)
 &rst
  ixpk= 1053, nxpk= 0, iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1554,1555,1556,
 &end
#
#  96 LEU  HN     96 LEU  HB2     3.61             (#peak   128 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 128, nxpk= 0, iat=1519,1523, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  96 LEU  HN     96 LEU  HB3     3.97             (#peak   127 #SUP  1.00)
 &rst
  ixpk= 127, nxpk= 0, iat=1519,1524, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  96 LEU  HN     96 LEU  HG      3.65             (#peak   131 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 131, nxpk= 0, iat=1519,1526, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  96 LEU  HN     96 LEU  QD1     4.55             (#peak   180 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 180, nxpk= 0, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1528,1529,1530,
 &end
#
#  96 LEU  HN     96 LEU  QD2     4.01             (#peak   130 #SUP  1.00  #QF  0.96)
 &rst
  ixpk= 130, nxpk= 0, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1532,1533,1534,
 &end
#
#  96 LEU  HN     97 GLY  HN      3.27             (#peak   120 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 120, nxpk= 0, iat=1519,1538, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#  96 LEU  HN     97 GLY  QA      4.72             (#peak   124)
 &rst
  ixpk= 124, nxpk= 0, iat=1519,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1540,1541,
 &end
#
#  96 LEU  HN     98 LEU  HN      4.37             (#peak   134 #SUP  1.00)
 &rst
  ixpk= 134, nxpk= 0, iat=1519,1545, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  96 LEU  QD2    97 GLY  HN      4.89             (#peak   114 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 114, nxpk= 0, iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=1532,1533,1534,
 &end
#
#  97 GLY  HN     98 LEU  HB2     5.50             (#peak   115 #SUP  0.99  #QF  0.91)
 &rst
  ixpk= 115, nxpk= 0, iat=1538,1549, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  97 GLY  HN     98 LEU  HN      3.44             (#peak   121 #SUP  1.00)
 &rst
  ixpk= 121, nxpk= 0, iat=1538,1545, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  98 LEU  HA     98 LEU  HG      3.96             (#peak   143 #SUP  1.00)
 &rst
  ixpk= 143, nxpk= 0, iat=1547,1552, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  98 LEU  HA     98 LEU  QD1     4.24             (#peak   167 #SUP  1.00)
 &rst
  ixpk= 167, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2=1554,1555,1556,
 &end
#
#  98 LEU  HA     98 LEU  QD2     3.02             (#peak   164 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 164, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1558,1559,1560,
 &end
#
#  98 LEU  HA     99 GLN  HN      3.12             (#peak    88 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 88, nxpk= 0, iat=1547,1564, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  98 LEU  HA     99 GLN  QB      5.21             (#peak   140)
 &rst
  ixpk= 140, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=1568,1569,
 &end
#
#  98 LEU  HA     99 GLN  QG      4.58             (#peak   139)
 &rst
  ixpk= 139, nxpk= 0, iat=1547,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1571,1572,
 &end
#
#  98 LEU  HB2    99 GLN  HN      4.25             (#peak   146 #SUP  1.00)
 &rst
  ixpk= 146, nxpk= 0, iat=1549,1564, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  98 LEU  HB3    98 LEU  QD1     3.81             (#peak  1053 #SUP  0.75  #QF  0.37)
 &rst
  ixpk= 1053, nxpk= 0, iat=1550,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1554,1555,1556,
 &end
#
#  98 LEU  HB3    99 GLN  HN      3.45             (#peak    94 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 94, nxpk= 0, iat=1550,1564, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  98 LEU  HG     99 GLN  HN      5.06             (#peak   158 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 158, nxpk= 0, iat=1552,1564, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  98 LEU  HN     98 LEU  HB2     3.40             (#peak   111 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 111, nxpk= 0, iat=1545,1549, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  98 LEU  HN     98 LEU  HB3     3.60             (#peak   110 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 110, nxpk= 0, iat=1545,1550, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  98 LEU  HN     98 LEU  HG      3.49             (#peak   109 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 109, nxpk= 0, iat=1545,1552, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  98 LEU  HN     98 LEU  QD1     4.00             (#peak   113 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 113, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1554,1555,1556,
 &end
#
#  98 LEU  HN     98 LEU  QD2     3.98             (#peak   161 #SUP  1.00)
 &rst
  ixpk= 161, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1558,1559,1560,
 &end
#
#  98 LEU  HN     99 GLN  HN      4.66             (#peak   102 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 102, nxpk= 0, iat=1545,1564, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  98 LEU  QD1    99 GLN  HN      5.06             (#peak    97 #SUP  1.00)
 &rst
  ixpk= 97, nxpk= 0, iat=  -1,1564, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1554,1555,1556,
 &end
#
#  98 LEU  QD2   102 ASN  HB2     5.39             (#peak    93 #SUP  0.99  #QF  0.58)
 &rst
  ixpk= 93, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1558,1559,1560,
 &end
#
#  98 LEU  QD2   102 ASN  HB3     5.32             (#peak    94 #SUP  0.97  #QF  0.86)
 &rst
  ixpk= 94, nxpk= 0, iat=  -1,1630, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1558,1559,1560,
 &end
#
#  98 LEU  QD2    99 GLN  HN      3.98             (#peak   160 #SUP  1.00)
 &rst
  ixpk= 160, nxpk= 0, iat=  -1,1564, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1558,1559,1560,
 &end
#
#  99 GLN  HA    100 LYS+ HN      3.33             (#peak    85 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 85, nxpk= 0, iat=1566,1581, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  99 GLN  HA     99 GLN  QG      3.65             (#peak   214)
 &rst
  ixpk= 214, nxpk= 0, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2=1571,1572,
 &end
#
#  99 GLN  HB2   102 ASN  HN      4.70             (#peak    67 #SUP  0.99  #QF  0.93)
 &rst
  ixpk= 67, nxpk= 0, iat=1568,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  99 GLN  HB3   102 ASN  HN      4.70             (#peak    50 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 50, nxpk= 0, iat=1569,1625, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  99 GLN  HG2   100 LYS+ HN      5.50             (#peak    83 #SUP  0.89  #QF  0.56)
 &rst
  ixpk= 83, nxpk= 0, iat=1571,1581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 GLN  HG3   100 LYS+ HN      5.50             (#peak    83 #SUP  0.89  #QF  0.56)
 &rst
  ixpk= 83, nxpk= 0, iat=1572,1581, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 GLN  HN    100 LYS+ HN      5.21             (#peak   799 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 799, nxpk= 0, iat=1564,1581, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  99 GLN  HN    102 ASN  HB2     4.51             (#peak    93 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 93, nxpk= 0, iat=1564,1629, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  99 GLN  HN    102 ASN  HB3     5.50             (#peak    99 #SUP  0.97  #QF  0.91)
 &rst
  ixpk= 99, nxpk= 0, iat=1564,1630, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  99 GLN  HN    102 ASN  QD2     5.02             (#peak    87)
 &rst
  ixpk= 87, nxpk= 0, iat=1564,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1634,1635,
 &end
#
#  99 GLN  HN     99 GLN  HB2     3.89             (#peak    90 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 90, nxpk= 0, iat=1564,1568, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  99 GLN  HN     99 GLN  HB3     3.89             (#peak    91 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 91, nxpk= 0, iat=1564,1569, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  99 GLN  HN     99 GLN  QB      3.18             (#peak    90)
 &rst
  ixpk= 90, nxpk= 0, iat=1564,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1568,1569,
 &end
#
#  99 GLN  HN     99 GLN  QE2     5.11             (#peak    87)
 &rst
  ixpk= 87, nxpk= 0, iat=1564,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1576,1577,
 &end
#
#  99 GLN  HN     99 GLN  QG      3.54             (#peak    92)
 &rst
  ixpk= 92, nxpk= 0, iat=1564,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1571,1572,
 &end
#
#  99 GLN  QB    100 LYS+ HN      4.22             (#peak    82)
 &rst
  ixpk= 82, nxpk= 0, iat=  -1,1581, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1568,1569,
 &end
#
#  99 GLN  QB    101 LYS+ HN      4.21             (#peak    72)
 &rst
  ixpk= 72, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1568,1569,
 &end
#
#  99 GLN  QB    101 LYS+ QG      3.54             (#peak   131)
 &rst
  ixpk= 131, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1=1568,1569,
 igr2=1610,1611,
 &end
#
#  99 GLN  QB    102 ASN  HB2     4.71             (#peak    91)
 &rst
  ixpk= 91, nxpk= 0, iat=  -1,1629, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1568,1569,
 &end
#
#  99 GLN  QB    102 ASN  HN      3.85             (#peak    67)
 &rst
  ixpk= 67, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1=1568,1569,
 &end
#
#  99 GLN  QB    102 ASN  QD2     3.86             (#peak    59)
 &rst
  ixpk= 59, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1568,1569,
 igr2=1634,1635,
 &end
#
# 100 LYS+ HA    100 LYS+ HD2     4.33             (#peak   130 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 130, nxpk= 0, iat=1583,1591, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 100 LYS+ HA    100 LYS+ HD3     4.33             (#peak   129 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 129, nxpk= 0, iat=1583,1592, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 100 LYS+ HA    100 LYS+ HG2     4.22             (#peak   123 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 123, nxpk= 0, iat=1583,1588, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 100 LYS+ HA    100 LYS+ HG3     4.22             (#peak   128 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 128, nxpk= 0, iat=1583,1589, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 100 LYS+ HA    100 LYS+ QD      3.72             (#peak   129)
 &rst
  ixpk= 129, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1591,1592,
 &end
#
# 100 LYS+ HA    100 LYS+ QG      3.54             (#peak   123)
 &rst
  ixpk= 123, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1588,1589,
 &end
#
# 100 LYS+ HA    102 ASN  HN      4.22             (#peak  1653 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 1653, nxpk= 0, iat=1583,1625, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
# 100 LYS+ HA    103 ILE  HB      3.99             (#peak    89 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 89, nxpk= 0, iat=1583,1643, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 100 LYS+ HA    103 ILE  HG13    4.21             (#peak    90 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 90, nxpk= 0, iat=1583,1650, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
# 100 LYS+ HA    103 ILE  HN      4.27             (#peak    38 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 38, nxpk= 0, iat=1583,1639, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
# 100 LYS+ HA    103 ILE  QD1     3.31             (#peak    76 #SUP  0.69  #QF  0.69)
 &rst
  ixpk= 76, nxpk= 0, iat=1583,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1652,1653,1654,
 &end
#
# 100 LYS+ HN    100 LYS+ QB      3.38             (#peak    81 #SUP  1.00)
 &rst
  ixpk= 81, nxpk= 0, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1585,1586,
 &end
#
# 100 LYS+ HN    100 LYS+ QG      4.79             (#peak    80)
 &rst
  ixpk= 80, nxpk= 0, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1588,1589,
 &end
#
# 100 LYS+ HN    101 LYS+ HN      4.46             (#peak    86 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 86, nxpk= 0, iat=1581,1603, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
# 100 LYS+ HN    101 LYS+ QG      5.34             (#peak    80)
 &rst
  ixpk= 80, nxpk= 0, iat=1581,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1610,1611,
 &end
#
# 100 LYS+ QB    101 LYS+ HN      3.57             (#peak    74 #SUP  0.93  #QF  0.47)
 &rst
  ixpk= 74, nxpk= 0, iat=  -1,1603, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1585,1586,
 &end
#
# 101 LYS+ HA    101 LYS+ QD      4.51             (#peak   108 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 108, nxpk= 0, iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1613,1614,
 &end
#
# 101 LYS+ HG2   101 LYS+ QE      3.98             (#peak   115 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 115, nxpk= 0, iat=1610,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1616,1617,
 &end
#
# 101 LYS+ HG2   102 ASN  HN      4.15             (#peak    63 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 63, nxpk= 0, iat=1610,1625, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 101 LYS+ HG3   101 LYS+ QE      3.98             (#peak   116 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 116, nxpk= 0, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1616,1617,
 &end
#
# 101 LYS+ HG3   102 ASN  HN      4.15             (#peak    64 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 64, nxpk= 0, iat=1611,1625, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 101 LYS+ HN    101 LYS+ HG2     4.39             (#peak    75 #SUP  0.75  #QF  0.75)
 &rst
  ixpk= 75, nxpk= 0, iat=1603,1610, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 101 LYS+ HN    101 LYS+ HG3     4.39             (#peak    76 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 76, nxpk= 0, iat=1603,1611, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 101 LYS+ HN    101 LYS+ QB      3.54             (#peak    73)
 &rst
  ixpk= 73, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1607,1608,
 &end
#
# 101 LYS+ HN    101 LYS+ QD      4.60             (#peak    77 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 77, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1613,1614,
 &end
#
# 101 LYS+ HN    101 LYS+ QG      3.60             (#peak    76)
 &rst
  ixpk= 76, nxpk= 0, iat=1603,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=1610,1611,
 &end
#
# 101 LYS+ HN    102 ASN  HN      3.86             (#peak    51 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 51, nxpk= 0, iat=1603,1625, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
# 101 LYS+ QB    102 ASN  HN      4.06             (#peak    66)
 &rst
  ixpk= 66, nxpk= 0, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=1607,1608,
 &end
#
# 101 LYS+ QG    102 ASN  QD2     4.34             (#peak    60)
 &rst
  ixpk= 60, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1610,1611,
 igr2=1634,1635,
 &end
#
# 102 ASN  HA    102 ASN  QD2     3.75             (#peak    57)
 &rst
  ixpk= 57, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2=1634,1635,
 &end
#
# 102 ASN  HB2   102 ASN  QD2     3.53             (#peak    58)
 &rst
  ixpk= 58, nxpk= 0, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1634,1635,
 &end
#
# 102 ASN  HB2   103 ILE  HG13    4.87             (#peak    92 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 92, nxpk= 0, iat=1629,1650, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
# 102 ASN  HB2   103 ILE  HN      4.56             (#peak    39 #SUP  1.00)
 &rst
  ixpk= 39, nxpk= 0, iat=1629,1639, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
# 102 ASN  HB2   103 ILE  QD1     5.24             (#peak    78 #SUP  0.95  #QF  0.87)
 &rst
  ixpk= 78, nxpk= 0, iat=1629,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2=1652,1653,1654,
 &end
#
# 102 ASN  HB3   103 ILE  HN      5.35             (#peak    44 #SUP  0.89  #QF  0.54)
 &rst
  ixpk= 44, nxpk= 0, iat=1630,1639, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
# 102 ASN  HN    102 ASN  HB2     3.36             (#peak    49 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 49, nxpk= 0, iat=1625,1629, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 102 ASN  HN    102 ASN  HB3     3.85             (#peak    48 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 48, nxpk= 0, iat=1625,1630, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 102 ASN  HN    103 ILE  HG12    5.50             (#peak    62 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 62, nxpk= 0, iat=1625,1649, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 102 ASN  HN    103 ILE  HG13    4.42             (#peak    65 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 65, nxpk= 0, iat=1625,1650, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
# 102 ASN  HN    103 ILE  QD1     5.18             (#peak    68 #SUP  0.68  #QF  0.68)
 &rst
  ixpk= 68, nxpk= 0, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2=1652,1653,1654,
 &end
#
# 103 ILE  HA    103 ILE  HG12    4.20             (#peak    84 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 84, nxpk= 0, iat=1641,1649, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 103 ILE  HA    103 ILE  HG13    3.85             (#peak    86 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 86, nxpk= 0, iat=1641,1650, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 103 ILE  HA    103 ILE  QD1     4.34             (#peak    75 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 75, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1652,1653,1654,
 &end
#
# 103 ILE  HA    103 ILE  QG2     3.39             (#peak    68 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 68, nxpk= 0, iat=1641,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1645,1646,1647,
 &end
#
# 103 ILE  HA    104 LYS+ HN      3.06             (#peak    32 #SUP  0.83  #QF  0.83)
 &rst
  ixpk= 32, nxpk= 0, iat=1641,1658, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 103 ILE  HB    103 ILE  QD1     3.48             (#peak    82 #SUP  0.95  #QF  0.79)
 &rst
  ixpk= 82, nxpk= 0, iat=1643,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=1652,1653,1654,
 &end
#
# 103 ILE  HN    103 ILE  HB      3.15             (#peak    40 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 40, nxpk= 0, iat=1639,1643, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
# 103 ILE  HN    103 ILE  HG12    4.47             (#peak    83 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 83, nxpk= 0, iat=1639,1649, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 103 ILE  HN    103 ILE  HG13    3.67             (#peak    41 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 41, nxpk= 0, iat=1639,1650, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 103 ILE  HN    103 ILE  QD1     4.18             (#peak  1632 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 1632, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1652,1653,1654,
 &end
#
# 103 ILE  HN    103 ILE  QG2     3.91             (#peak    42 #SUP  1.00)
 &rst
  ixpk= 42, nxpk= 0, iat=1639,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1645,1646,1647,
 &end
#
# 103 ILE  HN    104 LYS+ HN      4.76             (#peak    43 #SUP  1.00)
 &rst
  ixpk= 43, nxpk= 0, iat=1639,1658, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 103 ILE  QD1   104 LYS+ HN      5.14             (#peak    74 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 74, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1652,1653,1654,
 &end
#
# 103 ILE  QG2   104 LYS+ HN      3.37             (#peak    26 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 26, nxpk= 0, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1645,1646,1647,
 &end
#
# 104 LYS+ HA    104 LYS+ HD2     4.14             (#peak    64 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 64, nxpk= 0, iat=1660,1668, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 104 LYS+ HA    104 LYS+ HD3     4.14             (#peak    63 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 63, nxpk= 0, iat=1660,1669, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
# 104 LYS+ HA    104 LYS+ QD      3.56             (#peak    63)
 &rst
  ixpk= 63, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2=1668,1669,
 &end
#
# 104 LYS+ HA    105 ILE  HB      4.72             (#peak    34 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 34, nxpk= 0, iat=1660,1684, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 104 LYS+ HA    105 ILE  HN      2.86             (#peak    23 #SUP  0.81  #QF  0.81)
 &rst
  ixpk= 23, nxpk= 0, iat=1660,1680, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 104 LYS+ HA    105 ILE  QG1     4.74             (#peak    38 #SUP  0.86  #QF  0.86)
 &rst
  ixpk= 38, nxpk= 0, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1690,1691,
 &end
#
# 104 LYS+ HB2   105 ILE  HN      5.00             (#peak    49 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 49, nxpk= 0, iat=1662,1680, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 104 LYS+ HB3   105 ILE  HN      3.96             (#peak    20 #SUP  0.90  #QF  0.90)
 &rst
  ixpk= 20, nxpk= 0, iat=1663,1680, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 104 LYS+ HB3   106 HIS  HE1     4.15             (#peak  1626 #SUP  0.77  #QF  0.57)
 &rst
  ixpk= 1626, nxpk= 0, iat=1663,1708, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
# 104 LYS+ HG2   104 LYS+ QE      3.91             (#peak    56 #SUP  0.88  #QF  0.88)
 &rst
  ixpk= 56, nxpk= 0, iat=1665,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1671,1672,
 &end
#
# 104 LYS+ HG3   104 LYS+ QE      3.91             (#peak    55 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 55, nxpk= 0, iat=1666,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2=1671,1672,
 &end
#
# 104 LYS+ HN    104 LYS+ HB2     3.72             (#peak    28 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 28, nxpk= 0, iat=1658,1662, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
# 104 LYS+ HN    104 LYS+ HB3     3.87             (#peak    27 #SUP  0.98  #QF  0.98)
 &rst
  ixpk= 27, nxpk= 0, iat=1658,1663, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
# 104 LYS+ HN    104 LYS+ HG2     4.72             (#peak    62 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 62, nxpk= 0, iat=1658,1665, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 104 LYS+ HN    104 LYS+ HG3     4.72             (#peak    61 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 61, nxpk= 0, iat=1658,1666, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 104 LYS+ HN    105 ILE  HN      4.76             (#peak   788 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 788, nxpk= 0, iat=1658,1680, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 104 LYS+ QD    105 ILE  HN      4.69             (#peak    19)
 &rst
  ixpk= 19, nxpk= 0, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1668,1669,
 &end
#
# 104 LYS+ QD    106 HIS  HE1     5.04             (#peak  1627)
 &rst
  ixpk= 1627, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1668,1669,
 &end
#
# 104 LYS+ QE    106 HIS  HE1     4.69             (#peak  1628 #SUP  0.79  #QF  0.79)
 &rst
  ixpk= 1628, nxpk= 0, iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1=1671,1672,
 &end
#
# 104 LYS+ QG    104 LYS+ QE      3.36             (#peak    55)
 &rst
  ixpk= 55, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1=1665,1666,
 igr2=1671,1672,
 &end
#
# 105 ILE  HA    105 ILE  QG2     3.76             (#peak  1631 #SUP  0.76  #QF  0.76)
 &rst
  ixpk= 1631, nxpk= 0, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1686,1687,1688,
 &end
#
# 105 ILE  HB    106 HIS  HN      4.53             (#peak    10 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 10, nxpk= 0, iat=1684,1699, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
# 105 ILE  HN    105 ILE  HB      3.33             (#peak    22 #SUP  0.95  #QF  0.95)
 &rst
  ixpk= 22, nxpk= 0, iat=1680,1684, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 105 ILE  HN    105 ILE  QD1     4.50             (#peak    18 #SUP  0.91  #QF  0.80)
 &rst
  ixpk= 18, nxpk= 0, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1693,1694,1695,
 &end
#
# 105 ILE  HN    105 ILE  QG1     3.66             (#peak    21 #SUP  0.94  #QF  0.94)
 &rst
  ixpk= 21, nxpk= 0, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2=1690,1691,
 &end
#
# 105 ILE  HN    105 ILE  QG2     4.23             (#peak    18 #SUP  0.91  #QF  0.80)
 &rst
  ixpk= 18, nxpk= 0, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1686,1687,1688,
 &end
#
# 105 ILE  HN    106 HIS  HN      4.88             (#peak    16 #SUP  1.00)
 &rst
  ixpk= 16, nxpk= 0, iat=1680,1699, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 105 ILE  QG2   106 HIS  HN      3.56             (#peak     7 #SUP  0.85  #QF  0.85)
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1699, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1686,1687,1688,
 &end
#
# 106 HIS  HN    106 HIS  HB2     3.88             (#peak    12 #SUP  0.96  #QF  0.96)
 &rst
  ixpk= 12, nxpk= 0, iat=1699,1703, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 106 HIS  HN    106 HIS  HB3     3.88             (#peak    13 #SUP  0.99  #QF  0.99)
 &rst
  ixpk= 13, nxpk= 0, iat=1699,1704, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 106 HIS  HN    106 HIS  HD2     3.77             (#peak    15 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 15, nxpk= 0, iat=1699,1712, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
# 106 HIS  HN    106 HIS  QB      3.33             (#peak    12)
 &rst
  ixpk= 12, nxpk= 0, iat=1699,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1703,1704,
 &end
#
# 107 GLY  QA    108 PHE  HN      3.10             (#peak     3)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1723, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1718,1719,
 &end
#
# 108 PHE  HA    108 PHE  QD      4.18             (#peak    13 #SUP  0.93  #QF  0.93)
 &rst
  ixpk= 13, nxpk= 0, iat=1725,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1731,1739,
 &end
#
# 108 PHE  HN    108 PHE  HB2     4.08             (#peak     1 #SUP  0.91  #QF  0.91)
 &rst
  ixpk= 1, nxpk= 0, iat=1723,1727, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 108 PHE  HN    108 PHE  HB3     4.08             (#peak     2 #SUP  1.00)
 &rst
  ixpk= 2, nxpk= 0, iat=1723,1728, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
# 108 PHE  HN    108 PHE  QB      3.44             (#peak     1)
 &rst
  ixpk= 1, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1727,1728,
 &end
#
# 108 PHE  HN    108 PHE  QD      4.26             (#peak     6 #SUP  0.97  #QF  0.97)
 &rst
  ixpk= 6, nxpk= 0, iat=1723,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1731,1739,
 &end
# 1742 atoms read from pdb file leap.pdb.
# 25 TYR CHI1:  (25 TYR N)-(25 TYR CA)-(25 TYR CB)-(25 TYR CG) -90.0 -30.0
 &rst     iat =   342,   344,   346,   349,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 25 TYR PHI:  (24 ASN C)-(25 TYR N)-(25 TYR CA)-(25 TYR C) -153.0 -73.0
 &rst     iat =   340,   342,   344,   361,
   r1 = -154.0, r2 = -153.0, r3 = -73.0, r4 = -72.0,
 &end
# 25 TYR PSI:  (25 TYR N)-(25 TYR CA)-(25 TYR C)-(26 ILE N) 108.0 168.0
 &rst     iat =   342,   344,   361,   363,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end
# 26 ILE PHI:  (25 TYR C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -135.3 -75.3
 &rst     iat =   361,   363,   365,   380,
   r1 = -136.3, r2 = -135.3, r3 = -75.3, r4 = -74.3,
 &end
# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 HIE N)  97.2 157.2
 &rst     iat =   363,   365,   380,   382,
   r1 =  96.2, r2 =  97.2, r3 = 157.2, r4 = 158.2,
 &end
# 27 HIS PHI:  (26 ILE C)-(27 HIE N)-(27 HIE CA)-(27 HIE C) -151.6 -91.6
 &rst     iat =   380,   382,   384,   397,
   r1 = -152.6, r2 = -151.6, r3 = -91.6, r4 = -90.6,
 &end
# 27 HIS PSI:  (27 HIE N)-(27 HIE CA)-(27 HIE C)-(28 ILE N) 105.8 165.8
 &rst     iat =   382,   384,   397,   399,
   r1 = 104.8, r2 = 105.8, r3 = 165.8, r4 = 166.8,
 &end
# 28 ILE CHI21:  (28 ILE CA)-(28 ILE CB)-(28 ILE CG1)-(28 ILE CD1) 150.0 210.0
 &rst     iat =   401,   403,   409,   412,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 28 ILE PHI:  (27 HIE C)-(28 ILE N)-(28 ILE CA)-(28 ILE C) -146.9 -86.9
 &rst     iat =   397,   399,   401,   416,
   r1 = -147.9, r2 = -146.9, r3 = -86.9, r4 = -85.9,
 &end
# 28 ILE PSI:  (28 ILE N)-(28 ILE CA)-(28 ILE C)-(29 ARG N)  97.0 157.0
 &rst     iat =   399,   401,   416,   418,
   r1 =  96.0, r2 =  97.0, r3 = 157.0, r4 = 158.0,
 &end
# 29 ARG PHI:  (28 ILE C)-(29 ARG N)-(29 ARG CA)-(29 ARG C) -161.4 -101.4
 &rst     iat =   416,   418,   420,   440,
   r1 = -162.4, r2 = -161.4, r3 = -101.4, r4 = -100.4,
 &end
# 29 ARG PSI:  (29 ARG N)-(29 ARG CA)-(29 ARG C)-(30 ILE N) 113.8 173.8
 &rst     iat =   418,   420,   440,   442,
   r1 = 112.8, r2 = 113.8, r3 = 173.8, r4 = 174.8,
 &end
# 30 ILE CHI21:  (30 ILE CA)-(30 ILE CB)-(30 ILE CG1)-(30 ILE CD1) 150.0 210.0
 &rst     iat =   444,   446,   452,   455,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 30 ILE PHI:  (29 ARG C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -156.8 -96.8
 &rst     iat =   440,   442,   444,   459,
   r1 = -157.8, r2 = -156.8, r3 = -96.8, r4 = -95.8,
 &end
# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 GLN N) 114.8 174.8
 &rst     iat =   442,   444,   459,   461,
   r1 = 113.8, r2 = 114.8, r3 = 174.8, r4 = 175.8,
 &end
# 31 GLN PHI:  (30 ILE C)-(31 GLN N)-(31 GLN CA)-(31 GLN C) -161.9 -101.9
 &rst     iat =   459,   461,   463,   476,
   r1 = -162.9, r2 = -161.9, r3 = -101.9, r4 = -100.9,
 &end
# 31 GLN PSI:  (31 GLN N)-(31 GLN CA)-(31 GLN C)-(32 GLN N) 107.5 167.5
 &rst     iat =   461,   463,   476,   478,
   r1 = 106.5, r2 = 107.5, r3 = 167.5, r4 = 168.5,
 &end
# 32 GLN PHI:  (31 GLN C)-(32 GLN N)-(32 GLN CA)-(32 GLN C) -133.3 -73.3
 &rst     iat =   476,   478,   480,   493,
   r1 = -134.3, r2 = -133.3, r3 = -73.3, r4 = -72.3,
 &end
# 32 GLN PSI:  (32 GLN N)-(32 GLN CA)-(32 GLN C)-(33 ARG N) 104.4 164.4
 &rst     iat =   478,   480,   493,   495,
   r1 = 103.4, r2 = 104.4, r3 = 164.4, r4 = 165.4,
 &end
# 33 ARG PHI:  (32 GLN C)-(33 ARG N)-(33 ARG CA)-(33 ARG C) -140.2 -80.2
 &rst     iat =   493,   495,   497,   517,
   r1 = -141.2, r2 = -140.2, r3 = -80.2, r4 = -79.2,
 &end
# 33 ARG PSI:  (33 ARG N)-(33 ARG CA)-(33 ARG C)-(34 ASN N) 100.9 160.9
 &rst     iat =   495,   497,   517,   519,
   r1 =  99.9, r2 = 100.9, r3 = 160.9, r4 = 161.9,
 &end
# 38 THR PHI:  (37 LYS C)-(38 THR N)-(38 THR CA)-(38 THR C) -128.9 -68.9
 &rst     iat =   584,   586,   588,   598,
   r1 = -129.9, r2 = -128.9, r3 = -68.9, r4 = -67.9,
 &end
# 38 THR PSI:  (38 THR N)-(38 THR CA)-(38 THR C)-(39 LEU N)  96.8 156.8
 &rst     iat =   586,   588,   598,   600,
   r1 =  95.8, r2 =  96.8, r3 = 156.8, r4 = 157.8,
 &end
# 39 LEU CHI2:  (39 LEU CA)-(39 LEU CB)-(39 LEU CG)-(39 LEU CD1) 150.0 210.0
 &rst     iat =   602,   604,   607,   609,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 39 LEU PHI:  (38 THR C)-(39 LEU N)-(39 LEU CA)-(39 LEU C) -145.1 -85.1
 &rst     iat =   598,   600,   602,   617,
   r1 = -146.1, r2 = -145.1, r3 = -85.1, r4 = -84.1,
 &end
# 39 LEU PSI:  (39 LEU N)-(39 LEU CA)-(39 LEU C)-(40 THR N) 101.6 161.6
 &rst     iat =   600,   602,   617,   619,
   r1 = 100.6, r2 = 101.6, r3 = 161.6, r4 = 162.6,
 &end
# 40 THR PHI:  (39 LEU C)-(40 THR N)-(40 THR CA)-(40 THR C) -150.0 -90.0
 &rst     iat =   617,   619,   621,   631,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end
# 40 THR PSI:  (40 THR N)-(40 THR CA)-(40 THR C)-(41 THR N)  98.4 158.4
 &rst     iat =   619,   621,   631,   633,
   r1 =  97.4, r2 =  98.4, r3 = 158.4, r4 = 159.4,
 &end
# 41 THR PHI:  (40 THR C)-(41 THR N)-(41 THR CA)-(41 THR C) -151.9 -91.9
 &rst     iat =   631,   633,   635,   645,
   r1 = -152.9, r2 = -151.9, r3 = -91.9, r4 = -90.9,
 &end
# 41 THR PSI:  (41 THR N)-(41 THR CA)-(41 THR C)-(42 VAL N) 103.7 163.7
 &rst     iat =   633,   635,   645,   647,
   r1 = 102.7, r2 = 103.7, r3 = 163.7, r4 = 164.7,
 &end
# 42 VAL PHI:  (41 THR C)-(42 VAL N)-(42 VAL CA)-(42 VAL C) -155.2 -95.2
 &rst     iat =   645,   647,   649,   661,
   r1 = -156.2, r2 = -155.2, r3 = -95.2, r4 = -94.2,
 &end
# 42 VAL PSI:  (42 VAL N)-(42 VAL CA)-(42 VAL C)-(43 GLN N) 101.6 161.6
 &rst     iat =   647,   649,   661,   663,
   r1 = 100.6, r2 = 101.6, r3 = 161.6, r4 = 162.6,
 &end
# 43 GLN PHI:  (42 VAL C)-(43 GLN N)-(43 GLN CA)-(43 GLN C) -152.0 -92.0
 &rst     iat =   661,   663,   665,   678,
   r1 = -153.0, r2 = -152.0, r3 = -92.0, r4 = -91.0,
 &end
# 43 GLN PSI:  (43 GLN N)-(43 GLN CA)-(43 GLN C)-(44 GLY N) 100.9 160.9
 &rst     iat =   663,   665,   678,   680,
   r1 =  99.9, r2 = 100.9, r3 = 160.9, r4 = 161.9,
 &end
# 51 LEU CHI2:  (51 LEU CA)-(51 LEU CB)-(51 LEU CG)-(51 LEU CD1) 150.0 210.0
 &rst     iat =   782,   784,   787,   789,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 51 LEU PHI:  (50 ASP C)-(51 LEU N)-(51 LEU CA)-(51 LEU C) -86.6 -26.6
 &rst     iat =   778,   780,   782,   797,
   r1 = -87.6, r2 = -86.6, r3 = -26.6, r4 = -25.6,
 &end
# 51 LEU PSI:  (51 LEU N)-(51 LEU CA)-(51 LEU C)-(52 LYS N) -74.9 -14.9
 &rst     iat =   780,   782,   797,   799,
   r1 = -75.9, r2 = -74.9, r3 = -14.9, r4 = -13.9,
 &end
# 52 LYS PHI:  (51 LEU C)-(52 LYS N)-(52 LYS CA)-(52 LYS C) -92.7 -32.6
 &rst     iat =   797,   799,   801,   819,
   r1 = -93.7, r2 = -92.7, r3 = -32.6, r4 = -31.6,
 &end
# 52 LYS PSI:  (52 LYS N)-(52 LYS CA)-(52 LYS C)-(53 ARG N) -67.3  -7.3
 &rst     iat =   799,   801,   819,   821,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 53 ARG PHI:  (52 LYS C)-(53 ARG N)-(53 ARG CA)-(53 ARG C) -97.2 -37.2
 &rst     iat =   819,   821,   823,   843,
   r1 = -98.2, r2 = -97.2, r3 = -37.2, r4 = -36.2,
 &end
# 53 ARG PSI:  (53 ARG N)-(53 ARG CA)-(53 ARG C)-(54 ILE N) -71.7 -11.7
 &rst     iat =   821,   823,   843,   845,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end
# 54 ILE PHI:  (53 ARG C)-(54 ILE N)-(54 ILE CA)-(54 ILE C) -94.7 -34.7
 &rst     iat =   843,   845,   847,   862,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end
# 54 ILE PSI:  (54 ILE N)-(54 ILE CA)-(54 ILE C)-(55 LEU N) -74.9 -14.9
 &rst     iat =   845,   847,   862,   864,
   r1 = -75.9, r2 = -74.9, r3 = -14.9, r4 = -13.9,
 &end
# 55 LEU CHI2:  (55 LEU CA)-(55 LEU CB)-(55 LEU CG)-(55 LEU CD1) 150.0 210.0
 &rst     iat =   866,   868,   871,   873,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 55 LEU PHI:  (54 ILE C)-(55 LEU N)-(55 LEU CA)-(55 LEU C) -90.6 -30.6
 &rst     iat =   862,   864,   866,   881,
   r1 = -91.6, r2 = -90.6, r3 = -30.6, r4 = -29.6,
 &end
# 55 LEU PSI:  (55 LEU N)-(55 LEU CA)-(55 LEU C)-(56 LYS N) -71.7 -11.7
 &rst     iat =   864,   866,   881,   883,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end
# 56 LYS PHI:  (55 LEU C)-(56 LYS N)-(56 LYS CA)-(56 LYS C) -92.8 -32.8
 &rst     iat =   881,   883,   885,   903,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end
# 56 LYS PSI:  (56 LYS N)-(56 LYS CA)-(56 LYS C)-(57 VAL N) -66.5  -6.5
 &rst     iat =   883,   885,   903,   905,
   r1 = -67.5, r2 = -66.5, r3 =  -6.5, r4 =  -5.5,
 &end
# 57 VAL PHI:  (56 LYS C)-(57 VAL N)-(57 VAL CA)-(57 VAL C) -98.0 -38.0
 &rst     iat =   903,   905,   907,   919,
   r1 = -99.0, r2 = -98.0, r3 = -38.0, r4 = -37.0,
 &end
# 57 VAL PSI:  (57 VAL N)-(57 VAL CA)-(57 VAL C)-(58 LEU N) -75.4 -15.4
 &rst     iat =   905,   907,   919,   921,
   r1 = -76.4, r2 = -75.4, r3 = -15.4, r4 = -14.4,
 &end
# 58 LEU CHI2:  (58 LEU CA)-(58 LEU CB)-(58 LEU CG)-(58 LEU CD1) 150.0 210.0
 &rst     iat =   923,   925,   928,   930,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 58 LEU PHI:  (57 VAL C)-(58 LEU N)-(58 LEU CA)-(58 LEU C) -91.1 -31.1
 &rst     iat =   919,   921,   923,   938,
   r1 = -92.1, r2 = -91.1, r3 = -31.1, r4 = -30.1,
 &end
# 58 LEU PSI:  (58 LEU N)-(58 LEU CA)-(58 LEU C)-(59 LYS N) -69.9  -9.9
 &rst     iat =   921,   923,   938,   940,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end
# 59 LYS PHI:  (58 LEU C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -94.0 -34.0
 &rst     iat =   938,   940,   942,   960,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end
# 59 LYS PSI:  (59 LYS N)-(59 LYS CA)-(59 LYS C)-(60 LYS N) -70.6 -10.6
 &rst     iat =   940,   942,   960,   962,
   r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
 &end
# 60 LYS PHI:  (59 LYS C)-(60 LYS N)-(60 LYS CA)-(60 LYS C) -94.5 -34.5
 &rst     iat =   960,   962,   964,   982,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end
# 60 LYS PSI:  (60 LYS N)-(60 LYS CA)-(60 LYS C)-(61 ASP N) -70.7 -10.7
 &rst     iat =   962,   964,   982,   984,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end
# 61 ASP PHI:  (60 LYS C)-(61 ASP N)-(61 ASP CA)-(61 ASP C) -100.0 -40.0
 &rst     iat =   982,   984,   986,   994,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end
# 61 ASP PSI:  (61 ASP N)-(61 ASP CA)-(61 ASP C)-(62 PHE N) -57.7   2.3
 &rst     iat =   984,   986,   994,   996,
   r1 = -58.7, r2 = -57.7, r3 =   2.3, r4 =   3.3,
 &end
# 62 PHE PHI:  (61 ASP C)-(62 PHE N)-(62 PHE CA)-(62 PHE C) -126.9 -66.9
 &rst     iat =   994,   996,   998,  1014,
   r1 = -127.9, r2 = -126.9, r3 = -66.9, r4 = -65.9,
 &end
# 62 PHE PSI:  (62 PHE N)-(62 PHE CA)-(62 PHE C)-(63 ALA N) -31.2  28.8
 &rst     iat =   996,   998,  1014,  1016,
   r1 = -32.2, r2 = -31.2, r3 =  28.8, r4 =  29.8,
 &end
# 67 ASN PHI:  (66 GLY C)-(67 ASN N)-(67 ASN CA)-(67 ASN C) -157.5 -97.5
 &rst     iat =  1056,  1058,  1060,  1070,
   r1 = -158.5, r2 = -157.5, r3 = -97.5, r4 = -96.5,
 &end
# 67 ASN PSI:  (67 ASN N)-(67 ASN CA)-(67 ASN C)-(68 ILE N) 123.3 183.3
 &rst     iat =  1058,  1060,  1070,  1072,
   r1 = 122.3, r2 = 123.3, r3 = 183.3, r4 = 184.3,
 &end
# 68 ILE CHI21:  (68 ILE CA)-(68 ILE CB)-(68 ILE CG1)-(68 ILE CD1) 150.0 210.0
 &rst     iat =  1074,  1076,  1082,  1085,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 68 ILE PHI:  (67 ASN C)-(68 ILE N)-(68 ILE CA)-(68 ILE C) -126.7 -66.7
 &rst     iat =  1070,  1072,  1074,  1089,
   r1 = -127.7, r2 = -126.7, r3 = -66.7, r4 = -65.7,
 &end
# 68 ILE PSI:  (68 ILE N)-(68 ILE CA)-(68 ILE C)-(69 VAL N) 103.8 163.8
 &rst     iat =  1072,  1074,  1089,  1091,
   r1 = 102.8, r2 = 103.8, r3 = 163.8, r4 = 164.8,
 &end
# 69 VAL PHI:  (68 ILE C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -155.0 -95.0
 &rst     iat =  1089,  1091,  1093,  1105,
   r1 = -156.0, r2 = -155.0, r3 = -95.0, r4 = -94.0,
 &end
# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 LYS N) 112.8 172.8
 &rst     iat =  1091,  1093,  1105,  1107,
   r1 = 111.8, r2 = 112.8, r3 = 172.8, r4 = 173.8,
 &end
# 77 ILE PHI:  (76 GLU C)-(77 ILE N)-(77 ILE CA)-(77 ILE C) -155.7 -95.7
 &rst     iat =  1207,  1209,  1211,  1226,
   r1 = -156.7, r2 = -155.7, r3 = -95.7, r4 = -94.7,
 &end
# 77 ILE PSI:  (77 ILE N)-(77 ILE CA)-(77 ILE C)-(78 ILE N) 124.2 184.2
 &rst     iat =  1209,  1211,  1226,  1228,
   r1 = 123.2, r2 = 124.2, r3 = 184.2, r4 = 185.2,
 &end
# 78 ILE CHI21:  (78 ILE CA)-(78 ILE CB)-(78 ILE CG1)-(78 ILE CD1) 150.0 210.0
 &rst     iat =  1230,  1232,  1238,  1241,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 78 ILE PHI:  (77 ILE C)-(78 ILE N)-(78 ILE CA)-(78 ILE C) -150.3 -90.3
 &rst     iat =  1226,  1228,  1230,  1245,
   r1 = -151.3, r2 = -150.3, r3 = -90.3, r4 = -89.3,
 &end
# 78 ILE PSI:  (78 ILE N)-(78 ILE CA)-(78 ILE C)-(79 GLN N) 101.7 161.7
 &rst     iat =  1228,  1230,  1245,  1247,
   r1 = 100.7, r2 = 101.7, r3 = 161.7, r4 = 162.7,
 &end
# 79 GLN PHI:  (78 ILE C)-(79 GLN N)-(79 GLN CA)-(79 GLN C) -151.4 -91.4
 &rst     iat =  1245,  1247,  1249,  1262,
   r1 = -152.4, r2 = -151.4, r3 = -91.4, r4 = -90.4,
 &end
# 79 GLN PSI:  (79 GLN N)-(79 GLN CA)-(79 GLN C)-(80 LEU N) 115.2 175.2
 &rst     iat =  1247,  1249,  1262,  1264,
   r1 = 114.2, r2 = 115.2, r3 = 175.2, r4 = 176.2,
 &end
# 80 LEU CHI1:  (80 LEU N)-(80 LEU CA)-(80 LEU CB)-(80 LEU CG) 150.0 210.0
 &rst     iat =  1264,  1266,  1268,  1271,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 80 LEU CHI2:  (80 LEU CA)-(80 LEU CB)-(80 LEU CG)-(80 LEU CD1)  30.0  90.0
 &rst     iat =  1266,  1268,  1271,  1273,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 80 LEU PHI:  (79 GLN C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -156.3 -96.3
 &rst     iat =  1262,  1264,  1266,  1281,
   r1 = -157.3, r2 = -156.3, r3 = -96.3, r4 = -95.3,
 &end
# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 GLN N) 116.4 176.4
 &rst     iat =  1264,  1266,  1281,  1283,
   r1 = 115.4, r2 = 116.4, r3 = 176.4, r4 = 177.4,
 &end
# 85 ARG PHI:  (84 GLN C)-(85 ARG N)-(85 ARG CA)-(85 ARG C) -90.7 -30.7
 &rst     iat =  1334,  1336,  1338,  1358,
   r1 = -91.7, r2 = -90.7, r3 = -30.7, r4 = -29.7,
 &end
# 85 ARG PSI:  (85 ARG N)-(85 ARG CA)-(85 ARG C)-(86 ALA N) -69.8  -9.8
 &rst     iat =  1336,  1338,  1358,  1360,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end
# 86 ALA PHI:  (85 ARG C)-(86 ALA N)-(86 ALA CA)-(86 ALA C) -90.8 -30.8
 &rst     iat =  1358,  1360,  1362,  1368,
   r1 = -91.8, r2 = -90.8, r3 = -30.8, r4 = -29.8,
 &end
# 86 ALA PSI:  (86 ALA N)-(86 ALA CA)-(86 ALA C)-(87 LYS N) -71.3 -11.3
 &rst     iat =  1360,  1362,  1368,  1370,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end
# 87 LYS PHI:  (86 ALA C)-(87 LYS N)-(87 LYS CA)-(87 LYS C) -96.2 -36.2
 &rst     iat =  1368,  1370,  1372,  1390,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end
# 87 LYS PSI:  (87 LYS N)-(87 LYS CA)-(87 LYS C)-(88 VAL N) -70.4 -10.4
 &rst     iat =  1370,  1372,  1390,  1392,
   r1 = -71.4, r2 = -70.4, r3 = -10.4, r4 =  -9.4,
 &end
# 88 VAL PHI:  (87 LYS C)-(88 VAL N)-(88 VAL CA)-(88 VAL C) -94.8 -34.8
 &rst     iat =  1390,  1392,  1394,  1406,
   r1 = -95.8, r2 = -94.8, r3 = -34.8, r4 = -33.8,
 &end
# 88 VAL PSI:  (88 VAL N)-(88 VAL CA)-(88 VAL C)-(89 CYS N) -74.4 -14.4
 &rst     iat =  1392,  1394,  1406,  1408,
   r1 = -75.4, r2 = -74.4, r3 = -14.4, r4 = -13.4,
 &end
# 89 CYS PHI:  (88 VAL C)-(89 CYS N)-(89 CYS CA)-(89 CYS C) -91.4 -31.4
 &rst     iat =  1406,  1408,  1410,  1417,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end
# 89 CYS PSI:  (89 CYS N)-(89 CYS CA)-(89 CYS C)-(90 GLU N) -70.2 -10.2
 &rst     iat =  1408,  1410,  1417,  1419,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end
# 90 GLU PHI:  (89 CYS C)-(90 GLU N)-(90 GLU CA)-(90 GLU C) -95.1 -35.1
 &rst     iat =  1417,  1419,  1421,  1432,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end
# 90 GLU PSI:  (90 GLU N)-(90 GLU CA)-(90 GLU C)-(91 PHE N) -68.8  -8.8
 &rst     iat =  1419,  1421,  1432,  1434,
   r1 = -69.8, r2 = -68.8, r3 =  -8.8, r4 =  -7.8,
 &end
# 91 PHE PHI:  (90 GLU C)-(91 PHE N)-(91 PHE CA)-(91 PHE C) -96.7 -36.7
 &rst     iat =  1432,  1434,  1436,  1452,
   r1 = -97.7, r2 = -96.7, r3 = -36.7, r4 = -35.7,
 &end
# 91 PHE PSI:  (91 PHE N)-(91 PHE CA)-(91 PHE C)-(92 MET N) -74.1 -14.1
 &rst     iat =  1434,  1436,  1452,  1454,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &end
# 92 MET PHI:  (91 PHE C)-(92 MET N)-(92 MET CA)-(92 MET C) -92.5 -32.5
 &rst     iat =  1452,  1454,  1456,  1469,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end
# 92 MET PSI:  (92 MET N)-(92 MET CA)-(92 MET C)-(93 ILE N) -69.4  -9.4
 &rst     iat =  1454,  1456,  1469,  1471,
   r1 = -70.4, r2 = -69.4, r3 =  -9.4, r4 =  -8.4,
 &end
# 93 ILE PHI:  (92 MET C)-(93 ILE N)-(93 ILE CA)-(93 ILE C) -93.3 -33.4
 &rst     iat =  1469,  1471,  1473,  1488,
   r1 = -94.3, r2 = -93.3, r3 = -33.4, r4 = -32.4,
 &end
# 93 ILE PSI:  (93 ILE N)-(93 ILE CA)-(93 ILE C)-(94 SER N) -70.8 -10.8
 &rst     iat =  1471,  1473,  1488,  1490,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end
# 94 SER PHI:  (93 ILE C)-(94 SER N)-(94 SER CA)-(94 SER C) -99.4 -39.4
 &rst     iat =  1488,  1490,  1492,  1499,
   r1 = -100.4, r2 = -99.4, r3 = -39.4, r4 = -38.4,
 &end
# 94 SER PSI:  (94 SER N)-(94 SER CA)-(94 SER C)-(95 GLN N) -58.8   1.2
 &rst     iat =  1490,  1492,  1499,  1501,
   r1 = -59.8, r2 = -58.8, r3 =   1.2, r4 =   2.2,
 &end
# 95 GLN PHI:  (94 SER C)-(95 GLN N)-(95 GLN CA)-(95 GLN C) -103.1 -43.1
 &rst     iat =  1499,  1501,  1503,  1516,
   r1 = -104.1, r2 = -103.1, r3 = -43.1, r4 = -42.1,
 &end
# 95 GLN PSI:  (95 GLN N)-(95 GLN CA)-(95 GLN C)-(96 LEU N) -58.8   1.2
 &rst     iat =  1501,  1503,  1516,  1518,
   r1 = -59.8, r2 = -58.8, r3 =   1.2, r4 =   2.2,
 &end
# 96 LEU PHI:  (95 GLN C)-(96 LEU N)-(96 LEU CA)-(96 LEU C) -140.0 -60.0
 &rst     iat =  1516,  1518,  1520,  1535,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end
# 96 LEU PSI:  (96 LEU N)-(96 LEU CA)-(96 LEU C)-(97 GLY N) -30.0  30.0
 &rst     iat =  1518,  1520,  1535,  1537,
   r1 = -31.0, r2 = -30.0, r3 =  30.0, r4 =  31.0,
 &end
# 97 GLY PHI:  (96 LEU C)-(97 GLY N)-(97 GLY CA)-(97 GLY C)  45.0 105.0
 &rst     iat =  1535,  1537,  1539,  1542,
   r1 =  44.0, r2 =  45.0, r3 = 105.0, r4 = 106.0,
 &end
# 97 GLY PSI:  (97 GLY N)-(97 GLY CA)-(97 GLY C)-(98 LEU N) -56.0  24.0
 &rst     iat =  1537,  1539,  1542,  1544,
   r1 = -57.0, r2 = -56.0, r3 =  24.0, r4 =  25.0,
 &end
# 98 LEU CHI2:  (98 LEU CA)-(98 LEU CB)-(98 LEU CG)-(98 LEU CD1) 150.0 210.0
 &rst     iat =  1546,  1548,  1551,  1553,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 98 LEU PHI:  (97 GLY C)-(98 LEU N)-(98 LEU CA)-(98 LEU C) -130.0 -70.0
 &rst     iat =  1542,  1544,  1546,  1561,
   r1 = -131.0, r2 = -130.0, r3 = -70.0, r4 = -69.0,
 &end
# 99 GLN PHI:  (98 LEU C)-(99 GLN N)-(99 GLN CA)-(99 GLN C) -88.0 -28.0
 &rst     iat =  1561,  1563,  1565,  1578,
   r1 = -89.0, r2 = -88.0, r3 = -28.0, r4 = -27.0,
 &end
# 100 LYS PHI:  (99 GLN C)-(100 LYS N)-(100 LYS CA)-(100 LYS C) -88.1 -28.1
 &rst     iat =  1578,  1580,  1582,  1600,
   r1 = -89.1, r2 = -88.1, r3 = -28.1, r4 = -27.1,
 &end
# 100 LYS PSI:  (100 LYS N)-(100 LYS CA)-(100 LYS C)-(101 LYS N) -64.9  -4.9
 &rst     iat =  1580,  1582,  1600,  1602,
   r1 = -65.9, r2 = -64.9, r3 =  -4.9, r4 =  -3.9,
 &end
# 101 LYS PHI:  (100 LYS C)-(101 LYS N)-(101 LYS CA)-(101 LYS C) -96.3 -36.3
 &rst     iat =  1600,  1602,  1604,  1622,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end
# 101 LYS PSI:  (101 LYS N)-(101 LYS CA)-(101 LYS C)-(102 ASN N) -49.5  10.6
 &rst     iat =  1602,  1604,  1622,  1624,
   r1 = -50.5, r2 = -49.5, r3 =  10.6, r4 =  11.6,
 &end
# 102 ASN PHI:  (101 LYS C)-(102 ASN N)-(102 ASN CA)-(102 ASN C) -121.0 -61.0
 &rst     iat =  1622,  1624,  1626,  1636,
   r1 = -122.0, r2 = -121.0, r3 = -61.0, r4 = -60.0,
 &end
# 103 ILE PHI:  (102 ASN C)-(103 ILE N)-(103 ILE CA)-(103 ILE C) -145.2 -85.2
 &rst     iat =  1636,  1638,  1640,  1655,
   r1 = -146.2, r2 = -145.2, r3 = -85.2, r4 = -84.2,
 &end
# 103 ILE PSI:  (103 ILE N)-(103 ILE CA)-(103 ILE C)-(104 LYS N)  94.0 154.0
 &rst     iat =  1638,  1640,  1655,  1657,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end
# 104 LYS PHI:  (103 ILE C)-(104 LYS N)-(104 LYS CA)-(104 LYS C) -147.7 -87.7
 &rst     iat =  1655,  1657,  1659,  1677,
   r1 = -148.7, r2 = -147.7, r3 = -87.7, r4 = -86.7,
 &end
# 104 LYS PSI:  (104 LYS N)-(104 LYS CA)-(104 LYS C)-(105 ILE N)  85.2 145.2
 &rst     iat =  1657,  1659,  1677,  1679,
   r1 =  84.2, r2 =  85.2, r3 = 145.2, r4 = 146.2,
 &end
# 105 ILE CHI21:  (105 ILE CA)-(105 ILE CB)-(105 ILE CG1)-(105 ILE CD1) 150.0 210.0
 &rst     iat =  1681,  1683,  1689,  1692,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 105 ILE PHI:  (104 LYS C)-(105 ILE N)-(105 ILE CA)-(105 ILE C) -136.5 -76.5
 &rst     iat =  1677,  1679,  1681,  1696,
   r1 = -137.5, r2 = -136.5, r3 = -76.5, r4 = -75.5,
 &end
# 105 ILE PSI:  (105 ILE N)-(105 ILE CA)-(105 ILE C)-(106 HIE N)  90.3 150.3
 &rst     iat =  1679,  1681,  1696,  1698,
   r1 =  89.3, r2 =  90.3, r3 = 150.3, r4 = 151.3,
 &end
# 106 HIS PHI:  (105 ILE C)-(106 HIE N)-(106 HIE CA)-(106 HIE C) -126.0 -46.0
 &rst     iat =  1696,  1698,  1700,  1713,
   r1 = -127.0, r2 = -126.0, r3 = -46.0, r4 = -45.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H        MET   1 -44.090  16.358 -40.734
    2    H2   MET   1           H2       MET   1 -44.013  14.724 -40.742
    3    H3   MET   1           H3       MET   1 -42.703  15.600 -41.085
    4    HA   MET   1           HA       MET   1 -42.605  16.491 -38.806
    5    HB2  MET   1           HB2      MET   1 -44.940  14.596 -38.334
    6    HB3  MET   1           HB3      MET   1 -44.022  15.419 -37.070
    7    HG2  MET   1           HG2      MET   1 -44.634  17.624 -38.118
    8    HG3  MET   1           HG3      MET   1 -45.733  16.765 -39.200
    9    HE1  MET   1           HE1      MET   1 -47.116  14.537 -37.420
   10    HE2  MET   1           HE2      MET   1 -48.526  15.454 -36.863
   11    HE3  MET   1           HE3      MET   1 -47.952  15.649 -38.530
   12    H    SER   2           H        SER   2 -41.517  15.382 -37.011
   13    HA   SER   2           HA       SER   2 -40.798  12.587 -37.136
   14    HB2  SER   2           HB2      SER   2 -39.463  13.591 -39.062
   15    HB3  SER   2           HB3      SER   2 -38.582  14.537 -37.854
   16    HG   SER   2           HG       SER   2 -37.565  12.505 -38.433
   17    H    ILE   3           H        ILE   3 -38.536  12.502 -35.678
   18    HA   ILE   3           HA       ILE   3 -38.584  14.319 -33.409
   19    HB   ILE   3           HB       ILE   3 -40.548  12.872 -32.942
   20   HG12  ILE   3          HG12      ILE   3 -40.032  12.180 -30.658
   21   HG13  ILE   3          HG13      ILE   3 -38.308  12.375 -30.945
   22   HG21  ILE   3          HG21      ILE   3 -40.324  10.517 -32.382
   23   HG22  ILE   3          HG22      ILE   3 -39.769  10.783 -34.038
   24   HG23  ILE   3          HG23      ILE   3 -38.586  10.551 -32.731
   25   HD11  ILE   3          HD11      ILE   3 -40.383  14.613 -31.107
   26   HD12  ILE   3          HD12      ILE   3 -39.338  14.281 -29.712
   27   HD13  ILE   3          HD13      ILE   3 -38.618  14.815 -31.236
   28    H    GLU   4           H        GLU   4 -36.784  14.107 -32.031
   29    HA   GLU   4           HA       GLU   4 -34.459  12.825 -33.292
   30    HB2  GLU   4           HB2      GLU   4 -34.456  15.192 -32.535
   31    HB3  GLU   4           HB3      GLU   4 -34.653  14.650 -30.863
   32    HG2  GLU   4           HG2      GLU   4 -32.474  13.505 -30.955
   33    HG3  GLU   4           HG3      GLU   4 -32.317  13.888 -32.674
   34    H    ASN   5           H        ASN   5 -33.138  11.285 -32.346
   35    HA   ASN   5           HA       ASN   5 -33.648  10.209 -29.674
   36    HB2  ASN   5           HB2      ASN   5 -35.315   9.030 -31.104
   37    HB3  ASN   5           HB3      ASN   5 -34.015   8.482 -32.165
   38   HD21  ASN   5          HD22      ASN   5 -35.021   8.409 -28.677
   39   HD22  ASN   5          HD21      ASN   5 -34.389   6.797 -28.394
   40    H    LEU   6           H        LEU   6 -31.891   9.009 -28.849
   41    HA   LEU   6           HA       LEU   6 -29.334   9.775 -29.896
   42    HB2  LEU   6           HB2      LEU   6 -29.907   9.561 -27.476
   43    HB3  LEU   6           HB3      LEU   6 -30.070   7.817 -27.679
   44    HG   LEU   6           HG       LEU   6 -27.640   7.691 -28.308
   45   HD11  LEU   6          HD11      LEU   6 -26.195   9.669 -27.746
   46   HD12  LEU   6          HD12      LEU   6 -27.657  10.656 -27.562
   47   HD13  LEU   6          HD13      LEU   6 -27.232   9.962 -29.145
   48   HD21  LEU   6          HD21      LEU   6 -28.392   7.275 -25.998
   49   HD22  LEU   6          HD22      LEU   6 -28.231   9.005 -25.621
   50   HD23  LEU   6          HD23      LEU   6 -26.794   8.038 -26.022
   51    H    LYS   7           H        LYS   7 -28.132   8.829 -31.409
   52    HA   LYS   7           HA       LYS   7 -28.910   6.283 -32.589
   53    HB2  LYS   7           HB2      LYS   7 -26.601   8.191 -33.158
   54    HB3  LYS   7           HB3      LYS   7 -27.034   6.795 -34.153
   55    HG2  LYS   7           HG2      LYS   7 -29.303   7.768 -34.525
   56    HG3  LYS   7           HG3      LYS   7 -28.823   9.217 -33.634
   57    HD2  LYS   7           HD2      LYS   7 -27.503   8.193 -36.186
   58    HD3  LYS   7           HD3      LYS   7 -28.692   9.500 -36.090
   59    HE2  LYS   7           HE2      LYS   7 -27.148  10.795 -34.617
   60    HE3  LYS   7           HE3      LYS   7 -25.942   9.509 -34.762
   61    HZ1  LYS   7           HZ1      LYS   7 -26.988  11.120 -37.023
   62    HZ2  LYS   7           HZ2      LYS   7 -25.876   9.927 -37.157
   63    HZ3  LYS   7           HZ3      LYS   7 -25.516  11.293 -36.337
   64    H    SER   8           H        SER   8 -26.212   7.306 -30.541
   65    HA   SER   8           HA       SER   8 -25.473   4.692 -29.635
   66    HB2  SER   8           HB2      SER   8 -24.584   4.660 -32.047
   67    HB3  SER   8           HB3      SER   8 -23.460   5.928 -31.545
   68    HG   SER   8           HG       SER   8 -22.598   3.763 -31.377
   69    H    PHE   9           H        PHE   9 -23.104   4.938 -28.592
   70    HA   PHE   9           HA       PHE   9 -22.408   7.576 -27.613
   71    HB2  PHE   9           HB2      PHE   9 -22.824   7.099 -25.226
   72    HB3  PHE   9           HB3      PHE   9 -24.296   7.243 -26.159
   73    HD1  PHE   9           HD1      PHE   9 -22.082   4.873 -24.346
   74    HD2  PHE   9           HD2      PHE   9 -25.819   5.356 -26.445
   75    HE1  PHE   9           HE1      PHE   9 -22.851   2.677 -23.484
   76    HE2  PHE   9           HE2      PHE   9 -26.585   3.158 -25.581
   77    HZ   PHE   9           HZ       PHE   9 -25.103   1.814 -24.101
   78    H    ASP  10           H        ASP  10 -20.481   7.615 -26.360
   79    HA   ASP  10           HA       ASP  10 -18.591   5.549 -27.123
   80    HB2  ASP  10           HB2      ASP  10 -16.920   7.076 -26.221
   81    HB3  ASP  10           HB3      ASP  10 -17.999   7.875 -27.353
   82    HA   PRO  11           HA       PRO  11 -18.546   3.545 -23.097
   83    HB2  PRO  11           HB2      PRO  11 -16.686   1.662 -23.498
   84    HB3  PRO  11           HB3      PRO  11 -18.074   1.783 -24.604
   85    HG2  PRO  11           HG2      PRO  11 -15.295   2.945 -25.018
   86    HG3  PRO  11           HG3      PRO  11 -16.241   1.913 -26.138
   87    HD2  PRO  11           HD2      PRO  11 -16.216   4.694 -26.180
   88    HD3  PRO  11           HD3      PRO  11 -17.573   3.688 -26.792
   89    H    PHE  12           H        PHE  12 -15.813   2.571 -22.252
   90    HA   PHE  12           HA       PHE  12 -14.985   5.011 -20.756
   91    HB2  PHE  12           HB2      PHE  12 -14.225   3.419 -19.062
   92    HB3  PHE  12           HB3      PHE  12 -15.912   3.167 -19.456
   93    HD1  PHE  12           HD2      PHE  12 -12.485   1.762 -19.753
   94    HD2  PHE  12           HD1      PHE  12 -16.677   1.099 -20.536
   95    HE1  PHE  12           HE2      PHE  12 -12.021  -0.627 -20.236
   96    HE2  PHE  12           HE1      PHE  12 -16.205  -1.289 -21.019
   97    HZ   PHE  12           HZ       PHE  12 -13.877  -2.156 -20.873
   98    H    ALA  13           H        ALA  13 -13.852   3.298 -23.387
   99    HA   ALA  13           HA       ALA  13 -11.162   2.711 -22.700
  100    HB1  ALA  13           HB1      ALA  13 -10.888   2.363 -25.128
  101    HB2  ALA  13           HB2      ALA  13 -12.397   1.637 -24.544
  102    HB3  ALA  13           HB3      ALA  13 -12.433   3.181 -25.433
  103    H    ASP  14           H        ASP  14  -9.224   3.664 -23.102
  104    HA   ASP  14           HA       ASP  14  -8.807   6.230 -24.346
  105    HB2  ASP  14           HB2      ASP  14  -9.876   6.868 -22.130
  106    HB3  ASP  14           HB3      ASP  14  -8.528   6.080 -21.315
  107    H    THR  15           H        THR  15  -6.466   6.904 -24.116
  108    HA   THR  15           HA       THR  15  -4.730   4.564 -24.437
  109    HB   THR  15           HB       THR  15  -2.994   6.281 -25.007
  110    HG1  THR  15           HG1      THR  15  -3.719   8.415 -25.241
  111   HG21  THR  15          HG21      THR  15  -3.995   6.928 -27.143
  112   HG22  THR  15          HG22      THR  15  -5.625   6.568 -26.534
  113   HG23  THR  15          HG23      THR  15  -4.441   5.260 -26.751
  114    H    GLY  16           H        GLY  16  -2.663   4.334 -23.454
  115    HA2  GLY  16           HA2      GLY  16  -2.735   4.709 -20.527
  116    HA3  GLY  16           HA3      GLY  16  -1.591   3.721 -21.454
  117    H    ASP  17           H        ASP  17  -1.076   5.572 -19.307
  118    HA   ASP  17           HA       ASP  17   0.898   7.390 -20.603
  119    HB2  ASP  17           HB2      ASP  17   0.218   9.218 -19.294
  120    HB3  ASP  17           HB3      ASP  17  -1.258   8.560 -19.976
  121    H    ASP  18           H        ASP  18   0.837   4.758 -18.805
  122    HA   ASP  18           HA       ASP  18   2.325   5.469 -16.424
  123    HB2  ASP  18           HB2      ASP  18   2.429   3.085 -16.043
  124    HB3  ASP  18           HB3      ASP  18   0.799   3.557 -16.500
  125    H    GLU  19           H        GLU  19   4.430   4.668 -15.851
  126    HA   GLU  19           HA       GLU  19   6.393   3.945 -17.865
  127    HB2  GLU  19           HB2      GLU  19   6.150   6.410 -18.206
  128    HB3  GLU  19           HB3      GLU  19   6.578   6.675 -16.513
  129    HG2  GLU  19           HG2      GLU  19   8.820   5.761 -16.902
  130    HG3  GLU  19           HG3      GLU  19   8.375   5.278 -18.544
  131    H    THR  20           H        THR  20   8.279   3.137 -16.935
  132    HA   THR  20           HA       THR  20   8.112   1.921 -14.400
  133    HB   THR  20           HB       THR  20  10.511   2.426 -16.204
  134    HG1  THR  20           HG1      THR  20   9.956   0.361 -16.945
  135   HG21  THR  20          HG21      THR  20  10.145   0.508 -13.867
  136   HG22  THR  20          HG22      THR  20  11.397   1.749 -14.057
  137   HG23  THR  20          HG23      THR  20  11.411   0.326 -15.103
  138    H    ALA  21           H        ALA  21   8.641   2.480 -12.413
  139    HA   ALA  21           HA       ALA  21  10.293   4.916 -11.884
  140    HB1  ALA  21           HB1      ALA  21   8.021   5.031 -10.997
  141    HB2  ALA  21           HB2      ALA  21   8.236   3.485 -10.149
  142    HB3  ALA  21           HB3      ALA  21   9.186   4.908  -9.668
  143    H    THR  22           H        THR  22  11.750   4.859 -10.114
  144    HA   THR  22           HA       THR  22  13.675   2.828 -10.356
  145    HB   THR  22           HB       THR  22  13.475   4.941  -8.175
  146    HG1  THR  22           HG1      THR  22  14.565   6.230  -9.702
  147   HG21  THR  22          HG21      THR  22  15.344   3.393  -7.780
  148   HG22  THR  22          HG22      THR  22  15.971   4.935  -8.361
  149   HG23  THR  22          HG23      THR  22  15.872   3.551  -9.473
  150    H    SER  23           H        SER  23  14.371   1.175  -9.106
  151    HA   SER  23           HA       SER  23  12.526  -0.176  -7.400
  152    HB2  SER  23           HB2      SER  23  15.449  -0.636  -8.059
  153    HB3  SER  23           HB3      SER  23  14.501  -1.734  -7.050
  154    HG   SER  23           HG       SER  23  14.542  -2.268  -9.355
  155    H    ASN  24           H        ASN  24  12.636  -0.806  -5.326
  156    HA   ASN  24           HA       ASN  24  14.241  -0.154  -3.160
  157    HB2  ASN  24           HB2      ASN  24  13.829   2.212  -3.433
  158    HB3  ASN  24           HB3      ASN  24  12.111   1.945  -3.735
  159   HD21  ASN  24          HD21      ASN  24  10.746   1.258  -1.908
  160   HD22  ASN  24          HD22      ASN  24  11.229   1.659  -0.274
  161    H    TYR  25           H        TYR  25  13.526  -1.652  -1.630
  162    HA   TYR  25           HA       TYR  25  11.191  -3.159  -2.298
  163    HB2  TYR  25           HB2      TYR  25  13.184  -3.368  -0.055
  164    HB3  TYR  25           HB3      TYR  25  11.735  -4.353  -0.069
  165    HD1  TYR  25           HD1      TYR  25  11.263  -5.991  -1.817
  166    HD2  TYR  25           HD2      TYR  25  14.988  -3.825  -1.712
  167    HE1  TYR  25           HE1      TYR  25  12.250  -7.611  -3.437
  168    HE2  TYR  25           HE2      TYR  25  15.982  -5.444  -3.318
  169    HH   TYR  25           HH       TYR  25  15.637  -7.331  -4.592
  170    H    ILE  26           H        ILE  26   9.255  -3.370  -1.523
  171    HA   ILE  26           HA       ILE  26   8.260  -1.713   0.780
  172    HB   ILE  26           HB       ILE  26   6.932  -2.434  -1.870
  173   HG12  ILE  26          HG12      ILE  26   7.830   0.212  -0.658
  174   HG13  ILE  26          HG13      ILE  26   8.555  -0.594  -2.043
  175   HG21  ILE  26          HG21      ILE  26   5.266  -2.527  -0.006
  176   HG22  ILE  26          HG22      ILE  26   5.721  -0.873   0.463
  177   HG23  ILE  26          HG23      ILE  26   4.944  -1.205  -1.099
  178   HD11  ILE  26          HD11      ILE  26   6.450  -0.329  -3.315
  179   HD12  ILE  26          HD12      ILE  26   5.807   0.672  -1.978
  180   HD13  ILE  26          HD13      ILE  26   7.244   1.200  -2.857
  181    H    HIS  27           H        HIS  27   6.952  -2.745   2.218
  182    HA   HIS  27           HA       HIS  27   6.487  -5.684   1.841
  183    HB2  HIS  27           HB2      HIS  27   7.160  -4.228   4.421
  184    HB3  HIS  27           HB3      HIS  27   6.820  -5.946   4.248
  185    HD2  HIS  27           HD2      HIS  27   9.538  -3.314   3.588
  186    HE1  HIS  27           HE1      HIS  27  11.323  -7.091   2.787
  187    HE2  HIS  27           HE2      HIS  27  11.767  -4.598   3.039
  188    H    ILE  28           H        ILE  28   4.408  -6.211   1.825
  189    HA   ILE  28           HA       ILE  28   2.390  -4.469   3.235
  190    HB   ILE  28           HB       ILE  28   1.927  -6.241   0.801
  191   HG12  ILE  28          HG12      ILE  28   1.967  -3.189   0.853
  192   HG13  ILE  28          HG13      ILE  28   3.344  -4.154   0.321
  193   HG21  ILE  28          HG21      ILE  28  -0.088  -6.046   2.148
  194   HG22  ILE  28          HG22      ILE  28   0.177  -4.302   2.395
  195   HG23  ILE  28          HG23      ILE  28  -0.286  -4.912   0.814
  196   HD11  ILE  28          HD11      ILE  28   1.954  -5.221  -1.431
  197   HD12  ILE  28          HD12      ILE  28   0.624  -4.128  -1.009
  198   HD13  ILE  28          HD13      ILE  28   2.143  -3.466  -1.624
  199    H    ARG  29           H        ARG  29   1.801  -5.379   5.059
  200    HA   ARG  29           HA       ARG  29   1.922  -8.358   5.392
  201    HB2  ARG  29           HB2      ARG  29   2.361  -6.323   7.594
  202    HB3  ARG  29           HB3      ARG  29   2.730  -8.037   7.609
  203    HG2  ARG  29           HG2      ARG  29   4.580  -7.648   6.006
  204    HG3  ARG  29           HG3      ARG  29   4.190  -5.921   5.949
  205    HD2  ARG  29           HD2      ARG  29   4.621  -5.744   8.379
  206    HD3  ARG  29           HD3      ARG  29   5.080  -7.448   8.432
  207    HE   ARG  29           HE       ARG  29   6.643  -5.184   7.407
  208   HH11  ARG  29          HH11      ARG  29   6.441  -8.725   7.282
  209   HH12  ARG  29          HH12      ARG  29   8.098  -8.865   6.781
  210   HH21  ARG  29          HH21      ARG  29   8.667  -5.423   6.791
  211   HH22  ARG  29          HH22      ARG  29   9.368  -6.999   6.477
  212    H    ILE  30           H        ILE  30   0.333  -9.314   6.815
  213    HA   ILE  30           HA       ILE  30  -2.081  -7.603   7.335
  214    HB   ILE  30           HB       ILE  30  -1.813 -10.620   7.270
  215   HG12  ILE  30          HG12      ILE  30  -3.388  -8.688   5.494
  216   HG13  ILE  30          HG13      ILE  30  -1.849  -9.422   5.044
  217   HG21  ILE  30          HG21      ILE  30  -4.320 -10.580   7.651
  218   HG22  ILE  30          HG22      ILE  30  -3.421  -9.996   9.024
  219   HG23  ILE  30          HG23      ILE  30  -4.207  -8.835   7.925
  220   HD11  ILE  30          HD11      ILE  30  -2.851 -11.679   5.184
  221   HD12  ILE  30          HD12      ILE  30  -4.436 -10.946   5.541
  222   HD13  ILE  30          HD13      ILE  30  -3.664 -10.628   4.000
  223    H    GLN  31           H        GLN  31  -2.898  -7.320   9.326
  224    HA   GLN  31           HA       GLN  31  -1.169  -7.993  11.674
  225    HB2  GLN  31           HB2      GLN  31  -3.241  -5.804  11.223
  226    HB3  GLN  31           HB3      GLN  31  -2.394  -6.067  12.738
  227    HG2  GLN  31           HG2      GLN  31  -1.088  -5.287  10.100
  228    HG3  GLN  31           HG3      GLN  31  -1.410  -4.214  11.461
  229   HE21  GLN  31          HE21      GLN  31   1.202  -5.104  10.151
  230   HE22  GLN  31          HE22      GLN  31   2.158  -5.641  11.527
  231    H    GLN  32           H        GLN  32  -2.056  -8.709  13.544
  232    HA   GLN  32           HA       GLN  32  -4.961  -9.270  13.717
  233    HB2  GLN  32           HB2      GLN  32  -4.602 -11.357  14.781
  234    HB3  GLN  32           HB3      GLN  32  -3.755 -11.392  13.246
  235    HG2  GLN  32           HG2      GLN  32  -2.499 -11.122  16.015
  236    HG3  GLN  32           HG3      GLN  32  -2.507 -12.545  14.997
  237   HE21  GLN  32          HE21      GLN  32  -1.019  -9.365  15.472
  238   HE22  GLN  32          HE22      GLN  32   0.332  -9.668  14.368
  239    H    ARG  33           H        ARG  33  -5.825  -8.289  15.471
  240    HA   ARG  33           HA       ARG  33  -4.089  -7.368  17.708
  241    HB2  ARG  33           HB2      ARG  33  -5.872  -5.573  16.003
  242    HB3  ARG  33           HB3      ARG  33  -5.063  -5.075  17.484
  243    HG2  ARG  33           HG2      ARG  33  -3.644  -5.938  14.925
  244    HG3  ARG  33           HG3      ARG  33  -3.931  -4.280  15.427
  245    HD2  ARG  33           HD2      ARG  33  -2.516  -4.532  17.384
  246    HD3  ARG  33           HD3      ARG  33  -2.300  -6.252  17.076
  247    HE   ARG  33           HE       ARG  33  -1.122  -5.695  14.982
  248   HH11  ARG  33          HH11      ARG  33  -1.154  -3.102  17.429
  249   HH12  ARG  33          HH12      ARG  33   0.333  -2.441  16.796
  250   HH21  ARG  33          HH21      ARG  33   0.727  -4.760  14.287
  251   HH22  ARG  33          HH22      ARG  33   1.369  -3.330  15.094
  252    H    ASN  34           H        ASN  34  -5.264  -6.605  19.557
  253    HA   ASN  34           HA       ASN  34  -7.257  -8.432  20.345
  254    HB2  ASN  34           HB2      ASN  34  -7.222  -7.296  22.457
  255    HB3  ASN  34           HB3      ASN  34  -5.583  -7.349  21.827
  256   HD21  ASN  34          HD21      ASN  34  -8.164  -5.267  22.917
  257   HD22  ASN  34          HD22      ASN  34  -7.347  -3.752  22.577
  258    H    GLY  35           H        GLY  35  -7.771  -5.408  18.720
  259    HA2  GLY  35           HA2      GLY  35 -10.558  -5.026  19.531
  260    HA3  GLY  35           HA3      GLY  35  -9.687  -4.189  18.225
  261    H    ARG  36           H        ARG  36  -9.230  -7.406  17.649
  262    HA   ARG  36           HA       ARG  36 -10.117  -9.111  16.530
  263    HB2  ARG  36           HB2      ARG  36 -12.831  -7.731  16.669
  264    HB3  ARG  36           HB3      ARG  36 -12.517  -9.370  16.121
  265    HG2  ARG  36           HG2      ARG  36 -11.635  -9.997  18.340
  266    HG3  ARG  36           HG3      ARG  36 -11.907  -8.353  18.928
  267    HD2  ARG  36           HD2      ARG  36 -13.726  -9.767  19.684
  268    HD3  ARG  36           HD3      ARG  36 -14.326  -8.573  18.540
  269    HE   ARG  36           HE       ARG  36 -14.912 -10.244  17.064
  270   HH11  ARG  36          HH11      ARG  36 -12.836 -11.752  19.504
  271   HH12  ARG  36          HH12      ARG  36 -13.181 -13.357  18.930
  272   HH21  ARG  36          HH21      ARG  36 -15.297 -12.330  16.371
  273   HH22  ARG  36          HH22      ARG  36 -14.553 -13.675  17.181
  274    H    LYS  37           H        LYS  37 -10.326  -5.937  15.190
  275    HA   LYS  37           HA       LYS  37 -11.091  -6.658  12.502
  276    HB2  LYS  37           HB2      LYS  37  -9.541  -4.291  13.640
  277    HB3  LYS  37           HB3      LYS  37  -9.944  -4.465  11.930
  278    HG2  LYS  37           HG2      LYS  37 -12.370  -4.575  12.514
  279    HG3  LYS  37           HG3      LYS  37 -11.952  -4.258  14.213
  280    HD2  LYS  37           HD2      LYS  37 -10.915  -2.108  13.574
  281    HD3  LYS  37           HD3      LYS  37 -11.235  -2.443  11.859
  282    HE2  LYS  37           HE2      LYS  37 -13.680  -2.504  12.337
  283    HE3  LYS  37           HE3      LYS  37 -13.354  -2.105  14.030
  284    HZ1  LYS  37           HZ1      LYS  37 -13.908  -0.134  12.705
  285    HZ2  LYS  37           HZ2      LYS  37 -12.633  -0.390  11.708
  286    HZ3  LYS  37           HZ3      LYS  37 -12.384  -0.008  13.282
  287    H    THR  38           H        THR  38  -9.963  -7.206  10.747
  288    HA   THR  38           HA       THR  38  -7.072  -7.922  10.893
  289    HB   THR  38           HB       THR  38  -9.090  -8.238   8.624
  290    HG1  THR  38           HG1      THR  38  -9.129 -10.397   9.344
  291   HG21  THR  38          HG21      THR  38  -6.739  -8.254   7.838
  292   HG22  THR  38          HG22      THR  38  -7.429  -9.879   7.758
  293   HG23  THR  38          HG23      THR  38  -6.326  -9.454   9.086
  294    H    LEU  39           H        LEU  39  -5.557  -6.564  10.027
  295    HA   LEU  39           HA       LEU  39  -6.445  -4.286   8.298
  296    HB2  LEU  39           HB2      LEU  39  -4.348  -4.081  10.493
  297    HB3  LEU  39           HB3      LEU  39  -4.887  -2.793   9.439
  298    HG   LEU  39           HG       LEU  39  -6.635  -4.133  11.555
  299   HD11  LEU  39          HD11      LEU  39  -4.737  -2.912  12.549
  300   HD12  LEU  39          HD12      LEU  39  -6.267  -2.073  12.853
  301   HD13  LEU  39          HD13      LEU  39  -5.160  -1.469  11.600
  302   HD21  LEU  39          HD21      LEU  39  -7.993  -3.137   9.765
  303   HD22  LEU  39          HD22      LEU  39  -7.068  -1.622   9.865
  304   HD23  LEU  39          HD23      LEU  39  -8.099  -2.142  11.217
  305    H    THR  40           H        THR  40  -4.938  -3.563   6.816
  306    HA   THR  40           HA       THR  40  -2.590  -5.334   6.229
  307    HB   THR  40           HB       THR  40  -4.280  -3.534   4.447
  308    HG1  THR  40           HG1      THR  40  -4.998  -5.628   5.050
  309   HG21  THR  40          HG21      THR  40  -1.750  -5.133   3.814
  310   HG22  THR  40          HG22      THR  40  -1.935  -3.367   3.667
  311   HG23  THR  40          HG23      THR  40  -2.850  -4.441   2.598
  312    H    THR  41           H        THR  41  -0.712  -4.533   6.884
  313    HA   THR  41           HA       THR  41  -0.307  -1.596   7.246
  314    HB   THR  41           HB       THR  41   1.880  -2.444   8.330
  315    HG1  THR  41           HG1      THR  41   1.463  -4.607   7.617
  316   HG21  THR  41          HG21      THR  41  -0.880  -2.808   9.567
  317   HG22  THR  41          HG22      THR  41   0.127  -1.341   9.563
  318   HG23  THR  41          HG23      THR  41   0.648  -2.756  10.488
  319    H    VAL  42           H        VAL  42   0.750  -0.499   5.859
  320    HA   VAL  42           HA       VAL  42   2.472  -1.858   3.812
  321    HB   VAL  42           HB       VAL  42   1.370   0.962   3.680
  322   HG11  VAL  42          HG11      VAL  42   2.547  -0.895   1.561
  323   HG12  VAL  42          HG12      VAL  42   1.861   0.719   1.264
  324   HG13  VAL  42          HG13      VAL  42   3.328   0.547   2.234
  325   HG21  VAL  42          HG21      VAL  42  -0.554  -0.562   3.748
  326   HG22  VAL  42          HG22      VAL  42  -0.337   0.079   2.126
  327   HG23  VAL  42          HG23      VAL  42   0.196  -1.586   2.504
  328    H    GLN  43           H        GLN  43   4.562  -1.598   3.883
  329    HA   GLN  43           HA       GLN  43   5.852   0.535   5.549
  330    HB2  GLN  43           HB2      GLN  43   5.470  -1.619   6.760
  331    HB3  GLN  43           HB3      GLN  43   6.316  -2.475   5.483
  332    HG2  GLN  43           HG2      GLN  43   8.419  -1.223   6.087
  333    HG3  GLN  43           HG3      GLN  43   7.528  -0.445   7.405
  334   HE21  GLN  43          HE21      GLN  43   7.951  -1.496   9.409
  335   HE22  GLN  43          HE22      GLN  43   8.262  -3.223   9.512
  336    H    GLY  44           H        GLY  44   7.935   1.180   4.867
  337    HA2  GLY  44           HA2      GLY  44   9.913   1.157   3.683
  338    HA3  GLY  44           HA3      GLY  44   9.375  -0.288   2.802
  339    H    VAL  45           H        VAL  45   6.934   1.755   2.232
  340    HA   VAL  45           HA       VAL  45   7.492   2.313  -0.441
  341    HB   VAL  45           HB       VAL  45   5.267   2.361   0.448
  342   HG11  VAL  45          HG11      VAL  45   5.845   5.092   1.662
  343   HG12  VAL  45          HG12      VAL  45   4.292   4.242   1.627
  344   HG13  VAL  45          HG13      VAL  45   5.627   3.586   2.583
  345   HG21  VAL  45          HG21      VAL  45   5.933   5.022  -0.879
  346   HG22  VAL  45          HG22      VAL  45   5.737   3.461  -1.720
  347   HG23  VAL  45          HG23      VAL  45   4.367   4.186  -0.879
  348    HA   PRO  46           HA       PRO  46  10.601   5.490  -0.479
  349    HB2  PRO  46           HB2      PRO  46   9.138   6.308  -2.994
  350    HB3  PRO  46           HB3      PRO  46  10.882   6.218  -2.727
  351    HG2  PRO  46           HG2      PRO  46   9.645   4.194  -4.001
  352    HG3  PRO  46           HG3      PRO  46  10.820   3.817  -2.703
  353    HD2  PRO  46           HD2      PRO  46   7.798   3.889  -2.547
  354    HD3  PRO  46           HD3      PRO  46   8.935   2.678  -1.885
  355    H    GLU  47           H        GLU  47  10.799   7.527   0.323
  356    HA   GLU  47           HA       GLU  47   8.501   8.759   1.450
  357    HB2  GLU  47           HB2      GLU  47  10.846   8.643   2.370
  358    HB3  GLU  47           HB3      GLU  47  11.332   9.874   1.199
  359    HG2  GLU  47           HG2      GLU  47   9.808  11.500   2.258
  360    HG3  GLU  47           HG3      GLU  47   9.183  10.243   3.335
  361    H    GLU  48           H        GLU  48   9.904   9.230  -1.662
  362    HA   GLU  48           HA       GLU  48   9.015  11.934  -2.163
  363    HB2  GLU  48           HB2      GLU  48   9.478  11.477  -4.477
  364    HB3  GLU  48           HB3      GLU  48  10.786  10.862  -3.471
  365    HG2  GLU  48           HG2      GLU  48   9.822   8.551  -3.688
  366    HG3  GLU  48           HG3      GLU  48   8.580   9.194  -4.769
  367    H    TYR  49           H        TYR  49   7.277   8.936  -1.916
  368    HA   TYR  49           HA       TYR  49   4.873  10.029  -3.281
  369    HB2  TYR  49           HB2      TYR  49   5.364   7.324  -1.986
  370    HB3  TYR  49           HB3      TYR  49   3.932   7.815  -2.874
  371    HD1  TYR  49           HD1      TYR  49   4.405   8.736  -5.354
  372    HD2  TYR  49           HD2      TYR  49   7.022   6.113  -3.147
  373    HE1  TYR  49           HE1      TYR  49   5.457   7.994  -7.484
  374    HE2  TYR  49           HE2      TYR  49   8.063   5.363  -5.274
  375    HH   TYR  49           HH       TYR  49   8.123   5.592  -7.554
  376    H    ASP  50           H        ASP  50   3.493  11.215  -2.104
  377    HA   ASP  50           HA       ASP  50   3.720  11.545   0.745
  378    HB2  ASP  50           HB2      ASP  50   1.562  12.388  -1.225
  379    HB3  ASP  50           HB3      ASP  50   1.567  12.828   0.480
  380    H    LEU  51           H        LEU  51   2.967  10.312   2.339
  381    HA   LEU  51           HA       LEU  51   1.458   7.939   1.938
  382    HB2  LEU  51           HB2      LEU  51   1.788   9.586   4.477
  383    HB3  LEU  51           HB3      LEU  51   1.298   7.894   4.397
  384    HG   LEU  51           HG       LEU  51   4.029   9.056   3.717
  385   HD11  LEU  51          HD11      LEU  51   3.482   8.887   6.120
  386   HD12  LEU  51          HD12      LEU  51   4.760   7.745   5.668
  387   HD13  LEU  51          HD13      LEU  51   3.099   7.163   5.920
  388   HD21  LEU  51          HD21      LEU  51   4.814   6.740   3.408
  389   HD22  LEU  51          HD22      LEU  51   3.615   7.165   2.186
  390   HD23  LEU  51          HD23      LEU  51   3.156   6.136   3.566
  391    H    LYS  52           H        LYS  52   0.372  11.176   2.917
  392    HA   LYS  52           HA       LYS  52  -2.408  10.631   3.259
  393    HB2  LYS  52           HB2      LYS  52  -0.942  13.140   2.330
  394    HB3  LYS  52           HB3      LYS  52  -2.653  13.082   2.776
  395    HG2  LYS  52           HG2      LYS  52  -2.063  12.337   5.059
  396    HG3  LYS  52           HG3      LYS  52  -0.338  12.402   4.648
  397    HD2  LYS  52           HD2      LYS  52  -0.547  14.818   4.129
  398    HD3  LYS  52           HD3      LYS  52  -2.250  14.785   4.595
  399    HE2  LYS  52           HE2      LYS  52   0.076  14.054   6.442
  400    HE3  LYS  52           HE3      LYS  52  -0.640  15.664   6.346
  401    HZ1  LYS  52           HZ1      LYS  52  -1.601  14.414   8.163
  402    HZ2  LYS  52           HZ2      LYS  52  -2.102  13.217   7.172
  403    HZ3  LYS  52           HZ3      LYS  52  -2.759  14.713   7.054
  404    H    ARG  53           H        ARG  53  -0.567  11.182   0.239
  405    HA   ARG  53           HA       ARG  53  -2.940  11.235  -1.448
  406    HB2  ARG  53           HB2      ARG  53  -0.836  12.280  -2.160
  407    HB3  ARG  53           HB3      ARG  53  -0.021  10.719  -2.141
  408    HG2  ARG  53           HG2      ARG  53  -0.552  11.374  -4.405
  409    HG3  ARG  53           HG3      ARG  53  -1.416   9.900  -3.979
  410    HD2  ARG  53           HD2      ARG  53  -3.496  11.180  -3.647
  411    HD3  ARG  53           HD3      ARG  53  -2.651  12.696  -3.956
  412    HE   ARG  53           HE       ARG  53  -3.490  10.649  -5.900
  413   HH11  ARG  53          HH11      ARG  53  -1.484  13.542  -5.494
  414   HH12  ARG  53          HH12      ARG  53  -1.427  13.845  -7.204
  415   HH21  ARG  53          HH21      ARG  53  -3.362  11.101  -8.089
  416   HH22  ARG  53          HH22      ARG  53  -2.473  12.485  -8.644
  417    H    ILE  54           H        ILE  54  -0.708   8.670  -0.312
  418    HA   ILE  54           HA       ILE  54  -1.875   6.490  -1.828
  419    HB   ILE  54           HB       ILE  54  -0.465   6.448   0.864
  420   HG12  ILE  54          HG12      ILE  54   0.588   5.870  -1.940
  421   HG13  ILE  54          HG13      ILE  54   0.888   7.351  -1.056
  422   HG21  ILE  54          HG21      ILE  54  -1.830   4.450   0.607
  423   HG22  ILE  54          HG22      ILE  54  -1.228   4.196  -1.043
  424   HG23  ILE  54          HG23      ILE  54  -0.152   4.009   0.357
  425   HD11  ILE  54          HD11      ILE  54   1.906   4.595  -0.328
  426   HD12  ILE  54          HD12      ILE  54   2.827   6.024  -0.820
  427   HD13  ILE  54          HD13      ILE  54   2.011   6.002   0.754
  428    H    LEU  55           H        LEU  55  -2.680   7.771   1.489
  429    HA   LEU  55           HA       LEU  55  -4.973   6.177   1.893
  430    HB2  LEU  55           HB2      LEU  55  -4.759   9.116   2.679
  431    HB3  LEU  55           HB3      LEU  55  -5.792   7.884   3.353
  432    HG   LEU  55           HG       LEU  55  -2.866   8.358   3.822
  433   HD11  LEU  55          HD11      LEU  55  -3.589   8.273   6.166
  434   HD12  LEU  55          HD12      LEU  55  -5.235   7.844   5.660
  435   HD13  LEU  55          HD13      LEU  55  -4.558   9.436   5.250
  436   HD21  LEU  55          HD21      LEU  55  -2.864   5.989   3.355
  437   HD22  LEU  55          HD22      LEU  55  -4.290   5.733   4.411
  438   HD23  LEU  55          HD23      LEU  55  -2.728   6.246   5.096
  439    H    LYS  56           H        LYS  56  -4.815   9.378   0.152
  440    HA   LYS  56           HA       LYS  56  -7.555   9.560  -0.319
  441    HB2  LYS  56           HB2      LYS  56  -5.736  11.325  -0.491
  442    HB3  LYS  56           HB3      LYS  56  -5.230  10.597  -2.012
  443    HG2  LYS  56           HG2      LYS  56  -6.558  12.519  -2.460
  444    HG3  LYS  56           HG3      LYS  56  -7.467  11.090  -2.976
  445    HD2  LYS  56           HD2      LYS  56  -8.867  11.211  -0.953
  446    HD3  LYS  56           HD3      LYS  56  -7.861  12.527  -0.310
  447    HE2  LYS  56           HE2      LYS  56  -8.513  13.948  -2.259
  448    HE3  LYS  56           HE3      LYS  56  -9.521  12.635  -2.879
  449    HZ1  LYS  56           HZ1      LYS  56 -10.870  12.809  -0.857
  450    HZ2  LYS  56           HZ2      LYS  56 -10.830  14.247  -1.631
  451    HZ3  LYS  56           HZ3      LYS  56  -9.933  14.024  -0.285
  452    H    VAL  57           H        VAL  57  -5.055   8.017  -2.362
  453    HA   VAL  57           HA       VAL  57  -6.872   7.363  -4.525
  454    HB   VAL  57           HB       VAL  57  -4.226   6.065  -3.746
  455   HG11  VAL  57          HG11      VAL  57  -5.390   4.459  -5.145
  456   HG12  VAL  57          HG12      VAL  57  -5.939   5.740  -6.253
  457   HG13  VAL  57          HG13      VAL  57  -4.232   5.297  -6.180
  458   HG21  VAL  57          HG21      VAL  57  -4.888   8.103  -5.915
  459   HG22  VAL  57          HG22      VAL  57  -4.111   8.486  -4.371
  460   HG23  VAL  57          HG23      VAL  57  -3.282   7.438  -5.528
  461    H    LEU  58           H        LEU  58  -5.702   5.434  -1.712
  462    HA   LEU  58           HA       LEU  58  -7.195   3.077  -2.452
  463    HB2  LEU  58           HB2      LEU  58  -5.978   3.908   0.204
  464    HB3  LEU  58           HB3      LEU  58  -6.546   2.288  -0.202
  465    HG   LEU  58           HG       LEU  58  -4.244   3.734  -1.602
  466   HD11  LEU  58          HD11      LEU  58  -2.790   2.168  -0.454
  467   HD12  LEU  58          HD12      LEU  58  -4.184   1.391   0.312
  468   HD13  LEU  58          HD13      LEU  58  -3.759   3.058   0.740
  469   HD21  LEU  58          HD21      LEU  58  -3.753   1.504  -2.596
  470   HD22  LEU  58          HD22      LEU  58  -5.209   2.282  -3.206
  471   HD23  LEU  58          HD23      LEU  58  -5.345   0.945  -2.029
  472    H    LYS  59           H        LYS  59  -8.126   5.893  -0.507
  473    HA   LYS  59           HA       LYS  59 -10.701   4.699   0.251
  474    HB2  LYS  59           HB2      LYS  59  -9.612   7.543   0.348
  475    HB3  LYS  59           HB3      LYS  59 -11.212   7.062   0.941
  476    HG2  LYS  59           HG2      LYS  59 -10.172   5.424   2.473
  477    HG3  LYS  59           HG3      LYS  59  -8.569   5.911   1.949
  478    HD2  LYS  59           HD2      LYS  59  -9.142   8.294   2.693
  479    HD3  LYS  59           HD3      LYS  59 -10.609   7.609   3.434
  480    HE2  LYS  59           HE2      LYS  59  -9.073   5.974   4.654
  481    HE3  LYS  59           HE3      LYS  59  -7.698   6.895   4.047
  482    HZ1  LYS  59           HZ1      LYS  59  -8.611   8.842   5.243
  483    HZ2  LYS  59           HZ2      LYS  59  -8.298   7.595   6.265
  484    HZ3  LYS  59           HZ3      LYS  59  -9.840   7.924   5.829
  485    H    LYS  60           H        LYS  60  -9.599   6.788  -2.437
  486    HA   LYS  60           HA       LYS  60 -12.285   7.302  -3.407
  487    HB2  LYS  60           HB2      LYS  60 -10.398   8.847  -3.698
  488    HB3  LYS  60           HB3      LYS  60  -9.555   7.665  -4.711
  489    HG2  LYS  60           HG2      LYS  60 -11.368   7.806  -6.395
  490    HG3  LYS  60           HG3      LYS  60 -12.281   8.890  -5.335
  491    HD2  LYS  60           HD2      LYS  60 -11.225  10.197  -7.051
  492    HD3  LYS  60           HD3      LYS  60 -10.437  10.572  -5.510
  493    HE2  LYS  60           HE2      LYS  60  -8.556   9.062  -6.094
  494    HE3  LYS  60           HE3      LYS  60  -9.378   8.591  -7.584
  495    HZ1  LYS  60           HZ1      LYS  60  -8.427  11.336  -6.972
  496    HZ2  LYS  60           HZ2      LYS  60  -9.193  10.888  -8.347
  497    HZ3  LYS  60           HZ3      LYS  60  -7.715  10.288  -8.008
  498    H    ASP  61           H        ASP  61  -9.637   5.343  -4.853
  499    HA   ASP  61           HA       ASP  61 -11.456   4.340  -6.918
  500    HB2  ASP  61           HB2      ASP  61  -8.490   3.945  -6.366
  501    HB3  ASP  61           HB3      ASP  61  -9.341   3.234  -7.734
  502    H    PHE  62           H        PHE  62  -9.696   2.862  -4.163
  503    HA   PHE  62           HA       PHE  62 -10.804   0.193  -4.788
  504    HB2  PHE  62           HB2      PHE  62  -8.909   1.171  -2.620
  505    HB3  PHE  62           HB3      PHE  62  -9.431  -0.480  -2.818
  506    HD1  PHE  62           HD2      PHE  62  -7.498   2.267  -4.470
  507    HD2  PHE  62           HD1      PHE  62  -8.416  -1.942  -4.384
  508    HE1  PHE  62           HE2      PHE  62  -5.508   1.805  -5.855
  509    HE2  PHE  62           HE1      PHE  62  -6.419  -2.400  -5.774
  510    HZ   PHE  62           HZ       PHE  62  -4.968  -0.538  -6.534
  511    H    ALA  63           H        ALA  63 -11.782   2.883  -2.946
  512    HA   ALA  63           HA       ALA  63 -13.409   3.303  -1.434
  513    HB1  ALA  63           HB1      ALA  63 -15.429   1.981  -1.520
  514    HB2  ALA  63           HB2      ALA  63 -14.761   2.120  -3.155
  515    HB3  ALA  63           HB3      ALA  63 -14.571   0.607  -2.238
  516    H    CYS  64           H        CYS  64 -10.966   2.065  -0.426
  517    HA   CYS  64           HA       CYS  64 -11.801   0.379   1.867
  518    HB2  CYS  64           HB2      CYS  64  -9.086   1.407   0.895
  519    HB3  CYS  64           HB3      CYS  64  -9.323   0.320   2.272
  520    HG   CYS  64           HG       CYS  64 -10.581  -1.576   0.923
  521    H    ASN  65           H        ASN  65 -10.219   1.179   3.886
  522    HA   ASN  65           HA       ASN  65 -10.301   4.074   4.244
  523    HB2  ASN  65           HB2      ASN  65 -12.521   3.249   5.148
  524    HB3  ASN  65           HB3      ASN  65 -11.617   2.303   6.332
  525   HD21  ASN  65          HD21      ASN  65 -12.851   3.626   7.946
  526   HD22  ASN  65          HD22      ASN  65 -12.249   5.229   8.329
  527    H    GLY  66           H        GLY  66  -8.853   4.770   5.982
  528    HA2  GLY  66           HA2      GLY  66  -6.969   2.993   7.214
  529    HA3  GLY  66           HA3      GLY  66  -6.356   3.491   5.659
  530    H    ASN  67           H        ASN  67  -4.851   4.016   7.611
  531    HA   ASN  67           HA       ASN  67  -4.791   6.936   8.036
  532    HB2  ASN  67           HB2      ASN  67  -5.053   4.935  10.328
  533    HB3  ASN  67           HB3      ASN  67  -4.492   6.587  10.542
  534   HD21  ASN  67          HD21      ASN  67  -7.296   4.607  10.430
  535   HD22  ASN  67          HD22      ASN  67  -8.462   5.917  10.408
  536    H    ILE  68           H        ILE  68  -2.757   7.657   8.960
  537    HA   ILE  68           HA       ILE  68  -0.419   5.844   8.502
  538    HB   ILE  68           HB       ILE  68  -0.540   8.824   9.112
  539   HG12  ILE  68          HG12      ILE  68   0.280   7.562   6.464
  540   HG13  ILE  68          HG13      ILE  68  -1.388   8.008   6.772
  541   HG21  ILE  68          HG21      ILE  68   1.561   7.805   9.916
  542   HG22  ILE  68          HG22      ILE  68   1.811   7.020   8.342
  543   HG23  ILE  68          HG23      ILE  68   1.889   8.787   8.495
  544   HD11  ILE  68          HD11      ILE  68   0.954   9.937   6.764
  545   HD12  ILE  68          HD12      ILE  68  -0.366   9.812   5.584
  546   HD13  ILE  68          HD13      ILE  68  -0.711  10.355   7.232
  547    H    VAL  69           H        VAL  69   0.567   4.887  10.220
  548    HA   VAL  69           HA       VAL  69   0.036   5.845  13.011
  549    HB   VAL  69           HB       VAL  69  -0.375   2.988  12.010
  550   HG11  VAL  69          HG11      VAL  69   0.517   2.920  14.281
  551   HG12  VAL  69          HG12      VAL  69  -0.635   4.168  14.814
  552   HG13  VAL  69          HG13      VAL  69  -1.203   2.553  14.344
  553   HG21  VAL  69          HG21      VAL  69  -2.397   5.047  13.005
  554   HG22  VAL  69          HG22      VAL  69  -2.312   4.330  11.377
  555   HG23  VAL  69          HG23      VAL  69  -2.753   3.330  12.758
  556    H    LYS  70           H        LYS  70   1.738   5.459  14.430
  557    HA   LYS  70           HA       LYS  70   4.190   4.188  13.289
  558    HB2  LYS  70           HB2      LYS  70   4.312   6.545  14.016
  559    HB3  LYS  70           HB3      LYS  70   3.936   6.052  15.672
  560    HG2  LYS  70           HG2      LYS  70   5.968   4.700  15.795
  561    HG3  LYS  70           HG3      LYS  70   6.314   4.965  14.082
  562    HD2  LYS  70           HD2      LYS  70   6.229   7.179  16.180
  563    HD3  LYS  70           HD3      LYS  70   7.701   6.354  15.640
  564    HE2  LYS  70           HE2      LYS  70   7.273   7.089  13.303
  565    HE3  LYS  70           HE3      LYS  70   5.814   7.934  13.828
  566    HZ1  LYS  70           HZ1      LYS  70   7.666   9.438  13.640
  567    HZ2  LYS  70           HZ2      LYS  70   8.567   8.587  14.708
  568    HZ3  LYS  70           HZ3      LYS  70   7.212   9.360  15.208
  569    H    ASP  71           H        ASP  71   4.360   2.114  13.722
  570    HA   ASP  71           HA       ASP  71   3.103   0.853  16.041
  571    HB2  ASP  71           HB2      ASP  71   3.188  -0.117  13.691
  572    HB3  ASP  71           HB3      ASP  71   4.910  -0.319  13.914
  573    HA   PRO  72           HA       PRO  72   6.748   0.989  18.695
  574    HB2  PRO  72           HB2      PRO  72   5.863  -1.782  19.520
  575    HB3  PRO  72           HB3      PRO  72   6.364  -0.405  20.550
  576    HG2  PRO  72           HG2      PRO  72   3.743  -0.995  20.235
  577    HG3  PRO  72           HG3      PRO  72   4.288   0.717  20.180
  578    HD2  PRO  72           HD2      PRO  72   3.635  -1.131  17.881
  579    HD3  PRO  72           HD3      PRO  72   3.190   0.586  18.123
  580    H    GLU  73           H        GLU  73   6.170  -1.936  16.708
  581    HA   GLU  73           HA       GLU  73   9.094  -2.604  16.735
  582    HB2  GLU  73           HB2      GLU  73   6.656  -4.243  15.927
  583    HB3  GLU  73           HB3      GLU  73   8.323  -4.791  15.844
  584    HG2  GLU  73           HG2      GLU  73   6.817  -4.038  18.388
  585    HG3  GLU  73           HG3      GLU  73   7.133  -5.667  17.810
  586    H    MET  74           H        MET  74   6.284  -2.266  14.522
  587    HA   MET  74           HA       MET  74   7.973  -2.563  12.149
  588    HB2  MET  74           HB2      MET  74   4.989  -2.096  12.530
  589    HB3  MET  74           HB3      MET  74   5.750  -2.244  10.958
  590    HG2  MET  74           HG2      MET  74   6.703  -4.481  11.739
  591    HG3  MET  74           HG3      MET  74   5.690  -4.322  13.177
  592    HE1  MET  74           HE1      MET  74   5.580  -6.875  11.473
  593    HE2  MET  74           HE2      MET  74   4.461  -6.589  12.824
  594    HE3  MET  74           HE3      MET  74   3.838  -7.140  11.256
  595    H    GLY  75           H        GLY  75   7.105   0.216  13.969
  596    HA2  GLY  75           HA2      GLY  75   7.861   2.396  13.657
  597    HA3  GLY  75           HA3      GLY  75   8.514   1.933  12.073
  598    H    GLU  76           H        GLU  76   7.725   4.018  11.336
  599    HA   GLU  76           HA       GLU  76   4.936   4.652  11.375
  600    HB2  GLU  76           HB2      GLU  76   7.068   6.168  11.266
  601    HB3  GLU  76           HB3      GLU  76   6.948   5.930   9.516
  602    HG2  GLU  76           HG2      GLU  76   4.594   6.727   9.622
  603    HG3  GLU  76           HG3      GLU  76   4.748   6.932  11.370
  604    H    ILE  77           H        ILE  77   3.405   3.813  10.176
  605    HA   ILE  77           HA       ILE  77   3.846   2.776   7.422
  606    HB   ILE  77           HB       ILE  77   2.624   0.691   8.099
  607   HG12  ILE  77          HG12      ILE  77   3.018   1.717  10.929
  608   HG13  ILE  77          HG13      ILE  77   1.517   1.278  10.117
  609   HG21  ILE  77          HG21      ILE  77   5.107   0.835   7.791
  610   HG22  ILE  77          HG22      ILE  77   5.263   0.924   9.560
  611   HG23  ILE  77          HG23      ILE  77   4.531  -0.503   8.783
  612   HD11  ILE  77          HD11      ILE  77   2.005  -0.491  11.612
  613   HD12  ILE  77          HD12      ILE  77   2.505  -1.115  10.025
  614   HD13  ILE  77          HD13      ILE  77   3.721  -0.517  11.165
  615    H    ILE  78           H        ILE  78   1.914   2.370   6.241
  616    HA   ILE  78           HA       ILE  78  -0.505   3.861   7.183
  617    HB   ILE  78           HB       ILE  78   0.241   2.631   4.513
  618   HG12  ILE  78          HG12      ILE  78  -0.414   5.533   5.164
  619   HG13  ILE  78          HG13      ILE  78   1.230   4.899   5.246
  620   HG21  ILE  78          HG21      ILE  78  -2.137   2.224   4.794
  621   HG22  ILE  78          HG22      ILE  78  -2.402   3.878   5.377
  622   HG23  ILE  78          HG23      ILE  78  -1.959   3.566   3.686
  623   HD11  ILE  78          HD11      ILE  78   0.873   5.952   3.090
  624   HD12  ILE  78          HD12      ILE  78   1.131   4.207   2.889
  625   HD13  ILE  78          HD13      ILE  78  -0.504   4.907   2.754
  626    H    GLN  79           H        GLN  79  -2.226   2.824   7.950
  627    HA   GLN  79           HA       GLN  79  -2.417  -0.163   7.788
  628    HB2  GLN  79           HB2      GLN  79  -3.634   1.872   9.718
  629    HB3  GLN  79           HB3      GLN  79  -4.157   0.185   9.603
  630    HG2  GLN  79           HG2      GLN  79  -1.912  -0.593  10.196
  631    HG3  GLN  79           HG3      GLN  79  -1.325   1.072  10.311
  632   HE21  GLN  79          HE21      GLN  79  -0.812  -0.253  12.538
  633   HE22  GLN  79          HE22      GLN  79  -2.006   0.072  13.783
  634    H    LEU  80           H        LEU  80  -3.992  -0.923   6.479
  635    HA   LEU  80           HA       LEU  80  -6.282   0.826   5.704
  636    HB2  LEU  80           HB2      LEU  80  -4.387  -0.090   3.964
  637    HB3  LEU  80           HB3      LEU  80  -5.394  -1.533   4.042
  638    HG   LEU  80           HG       LEU  80  -7.359  -0.138   3.318
  639   HD11  LEU  80          HD11      LEU  80  -6.895   2.078   2.287
  640   HD12  LEU  80          HD12      LEU  80  -5.198   1.975   2.810
  641   HD13  LEU  80          HD13      LEU  80  -6.493   2.114   4.003
  642   HD21  LEU  80          HD21      LEU  80  -6.136  -1.468   1.663
  643   HD22  LEU  80          HD22      LEU  80  -4.895  -0.240   1.518
  644   HD23  LEU  80          HD23      LEU  80  -6.540   0.078   0.919
  645    H    GLN  81           H        GLN  81  -8.363  -0.144   5.898
  646    HA   GLN  81           HA       GLN  81  -8.533  -2.350   7.784
  647    HB2  GLN  81           HB2      GLN  81 -10.691  -0.902   6.197
  648    HB3  GLN  81           HB3      GLN  81 -10.996  -2.162   7.394
  649    HG2  GLN  81           HG2      GLN  81  -9.650  -0.692   9.055
  650    HG3  GLN  81           HG3      GLN  81  -9.853   0.607   7.873
  651   HE21  GLN  81          HE21      GLN  81 -12.534   0.288   7.017
  652   HE22  GLN  81          HE22      GLN  81 -13.578   0.425   8.421
  653    H    GLY  82           H        GLY  82  -8.932  -4.474   7.515
  654    HA2  GLY  82           HA2      GLY  82  -9.564  -6.460   6.513
  655    HA3  GLY  82           HA3      GLY  82  -9.848  -5.638   4.973
  656    H    ASP  83           H        ASP  83  -8.781  -7.773   4.399
  657    HA   ASP  83           HA       ASP  83  -5.822  -7.714   4.395
  658    HB2  ASP  83           HB2      ASP  83  -5.994  -9.977   3.561
  659    HB3  ASP  83           HB3      ASP  83  -6.828  -9.773   5.092
  660    H    GLN  84           H        GLN  84  -5.431  -6.002   2.997
  661    HA   GLN  84           HA       GLN  84  -6.520  -6.128   0.223
  662    HB2  GLN  84           HB2      GLN  84  -5.399  -3.698   1.628
  663    HB3  GLN  84           HB3      GLN  84  -6.423  -3.749   0.195
  664    HG2  GLN  84           HG2      GLN  84  -7.228  -4.304   3.079
  665    HG3  GLN  84           HG3      GLN  84  -7.702  -2.942   2.099
  666   HE21  GLN  84          HE21      GLN  84  -9.669  -4.130   3.331
  667   HE22  GLN  84          HE22      GLN  84 -10.644  -5.117   2.226
  668    H    ARG  85           H        ARG  85  -4.118  -7.539   1.225
  669    HA   ARG  85           HA       ARG  85  -1.780  -6.255   0.515
  670    HB2  ARG  85           HB2      ARG  85  -0.742  -8.501   0.510
  671    HB3  ARG  85           HB3      ARG  85  -1.742  -8.149   1.916
  672    HG2  ARG  85           HG2      ARG  85  -3.624  -9.477   0.852
  673    HG3  ARG  85           HG3      ARG  85  -2.493  -9.954  -0.427
  674    HD2  ARG  85           HD2      ARG  85  -1.062 -11.067   1.231
  675    HD3  ARG  85           HD3      ARG  85  -2.030 -10.437   2.542
  676    HE   ARG  85           HE       ARG  85  -3.658 -12.040   2.173
  677   HH11  ARG  85          HH11      ARG  85  -1.441 -12.208  -0.588
  678   HH12  ARG  85          HH12      ARG  85  -2.143 -13.690  -1.159
  679   HH21  ARG  85          HH21      ARG  85  -4.505 -13.934   1.371
  680   HH22  ARG  85          HH22      ARG  85  -3.848 -14.647  -0.070
  681    H    ALA  86           H        ALA  86  -3.685  -8.365  -1.640
  682    HA   ALA  86           HA       ALA  86  -1.956  -8.059  -3.937
  683    HB1  ALA  86           HB1      ALA  86  -3.544  -9.931  -3.633
  684    HB2  ALA  86           HB2      ALA  86  -4.915  -8.800  -3.698
  685    HB3  ALA  86           HB3      ALA  86  -3.891  -9.045  -5.130
  686    H    LYS  87           H        LYS  87  -4.832  -6.277  -2.795
  687    HA   LYS  87           HA       LYS  87  -5.164  -4.590  -5.090
  688    HB2  LYS  87           HB2      LYS  87  -5.950  -4.237  -2.163
  689    HB3  LYS  87           HB3      LYS  87  -6.482  -3.184  -3.458
  690    HG2  LYS  87           HG2      LYS  87  -7.588  -5.114  -4.594
  691    HG3  LYS  87           HG3      LYS  87  -7.049  -6.173  -3.272
  692    HD2  LYS  87           HD2      LYS  87  -8.235  -4.577  -1.677
  693    HD3  LYS  87           HD3      LYS  87  -8.988  -3.827  -3.089
  694    HE2  LYS  87           HE2      LYS  87 -10.080  -5.908  -3.709
  695    HE3  LYS  87           HE3      LYS  87  -9.127  -6.820  -2.527
  696    HZ1  LYS  87           HZ1      LYS  87 -11.326  -6.381  -1.658
  697    HZ2  LYS  87           HZ2      LYS  87 -11.143  -4.762  -1.835
  698    HZ3  LYS  87           HZ3      LYS  87 -10.206  -5.579  -0.761
  699    H    VAL  88           H        VAL  88  -3.460  -3.964  -1.981
  700    HA   VAL  88           HA       VAL  88  -2.511  -1.373  -2.845
  701    HB   VAL  88           HB       VAL  88  -1.493  -3.176  -0.627
  702   HG11  VAL  88          HG11      VAL  88  -0.819  -0.246  -1.207
  703   HG12  VAL  88          HG12      VAL  88  -0.379  -1.145   0.259
  704   HG13  VAL  88          HG13      VAL  88   0.324  -1.607  -1.277
  705   HG21  VAL  88          HG21      VAL  88  -2.721  -1.555   0.815
  706   HG22  VAL  88          HG22      VAL  88  -3.275  -0.693  -0.640
  707   HG23  VAL  88          HG23      VAL  88  -3.819  -2.346  -0.324
  708    H    CYS  89           H        CYS  89  -1.014  -4.654  -3.071
  709    HA   CYS  89           HA       CYS  89   1.463  -3.877  -4.231
  710    HB2  CYS  89           HB2      CYS  89   0.835  -6.152  -3.443
  711    HB3  CYS  89           HB3      CYS  89  -0.294  -6.318  -4.795
  712    HG   CYS  89           HG       CYS  89   1.861  -7.736  -5.285
  713    H    GLU  90           H        GLU  90  -1.644  -4.620  -5.894
  714    HA   GLU  90           HA       GLU  90  -0.830  -3.911  -8.486
  715    HB2  GLU  90           HB2      GLU  90  -2.869  -5.188  -7.829
  716    HB3  GLU  90           HB3      GLU  90  -3.624  -3.678  -7.294
  717    HG2  GLU  90           HG2      GLU  90  -3.489  -2.777  -9.573
  718    HG3  GLU  90           HG3      GLU  90  -2.581  -4.199 -10.105
  719    H    PHE  91           H        PHE  91  -2.113  -1.718  -5.890
  720    HA   PHE  91           HA       PHE  91  -2.365   0.618  -7.517
  721    HB2  PHE  91           HB2      PHE  91  -3.365   0.734  -5.393
  722    HB3  PHE  91           HB3      PHE  91  -1.978   0.061  -4.575
  723    HD1  PHE  91           HD2      PHE  91  -2.899   3.111  -6.594
  724    HD2  PHE  91           HD1      PHE  91  -0.564   1.456  -3.381
  725    HE1  PHE  91           HE2      PHE  91  -1.967   5.368  -6.101
  726    HE2  PHE  91           HE1      PHE  91   0.348   3.709  -2.878
  727    HZ   PHE  91           HZ       PHE  91  -0.381   5.675  -4.228
  728    H    MET  92           H        MET  92   0.404  -0.560  -5.577
  729    HA   MET  92           HA       MET  92   2.196   1.592  -6.149
  730    HB2  MET  92           HB2      MET  92   2.720  -1.316  -5.474
  731    HB3  MET  92           HB3      MET  92   3.943  -0.047  -5.389
  732    HG2  MET  92           HG2      MET  92   1.360   0.084  -3.800
  733    HG3  MET  92           HG3      MET  92   2.755  -0.803  -3.217
  734    HE1  MET  92           HE1      MET  92   0.991   1.549  -1.864
  735    HE2  MET  92           HE2      MET  92   2.234   0.587  -1.044
  736    HE3  MET  92           HE3      MET  92   2.280   2.366  -0.961
  737    H    ILE  93           H        ILE  93   1.619  -1.491  -7.855
  738    HA   ILE  93           HA       ILE  93   3.684  -1.020  -9.864
  739    HB   ILE  93           HB       ILE  93   1.343  -2.961  -9.818
  740   HG12  ILE  93          HG12      ILE  93   4.279  -3.610  -9.288
  741   HG13  ILE  93          HG13      ILE  93   3.199  -3.158  -7.984
  742   HG21  ILE  93          HG21      ILE  93   2.162  -2.632 -12.134
  743   HG22  ILE  93          HG22      ILE  93   3.834  -2.920 -11.593
  744   HG23  ILE  93          HG23      ILE  93   2.634  -4.223 -11.553
  745   HD11  ILE  93          HD11      ILE  93   3.297  -5.544  -8.078
  746   HD12  ILE  93          HD12      ILE  93   1.673  -5.038  -8.573
  747   HD13  ILE  93          HD13      ILE  93   2.852  -5.573  -9.792
  748    H    SER  94           H        SER  94   0.122  -0.646  -9.912
  749    HA   SER  94           HA       SER  94   0.039   0.130 -12.689
  750    HB2  SER  94           HB2      SER  94  -1.817  -0.973 -11.577
  751    HB3  SER  94           HB3      SER  94  -1.976   0.361 -10.421
  752    HG   SER  94           HG       SER  94  -3.448   0.307 -12.342
  753    H    GLN  95           H        GLN  95  -0.232   2.091  -9.667
  754    HA   GLN  95           HA       GLN  95  -0.616   4.523 -11.335
  755    HB2  GLN  95           HB2      GLN  95  -0.906   4.071  -8.338
  756    HB3  GLN  95           HB3      GLN  95  -1.329   5.542  -9.207
  757    HG2  GLN  95           HG2      GLN  95  -2.666   2.817  -9.567
  758    HG3  GLN  95           HG3      GLN  95  -3.327   4.203  -8.715
  759   HE21  GLN  95          HE21      GLN  95  -2.936   2.737 -11.910
  760   HE22  GLN  95          HE22      GLN  95  -3.724   4.052 -12.761
  761    H    LEU  96           H        LEU  96   1.778   3.210  -9.020
  762    HA   LEU  96           HA       LEU  96   3.316   5.752  -9.206
  763    HB2  LEU  96           HB2      LEU  96   4.103   3.309  -7.608
  764    HB3  LEU  96           HB3      LEU  96   4.645   4.958  -7.432
  765    HG   LEU  96           HG       LEU  96   1.865   3.919  -6.730
  766   HD11  LEU  96          HD11      LEU  96   4.118   4.986  -4.980
  767   HD12  LEU  96          HD12      LEU  96   3.684   3.278  -5.192
  768   HD13  LEU  96          HD13      LEU  96   2.535   4.387  -4.431
  769   HD21  LEU  96          HD21      LEU  96   1.483   6.192  -5.757
  770   HD22  LEU  96          HD22      LEU  96   1.614   6.227  -7.517
  771   HD23  LEU  96          HD23      LEU  96   2.984   6.750  -6.519
  772    H    GLY  97           H        GLY  97   3.266   2.637 -10.715
  773    HA2  GLY  97           HA2      GLY  97   4.511   1.901 -12.536
  774    HA3  GLY  97           HA3      GLY  97   5.571   3.324 -12.384
  775    H    LEU  98           H        LEU  98   5.244   1.575  -9.443
  776    HA   LEU  98           HA       LEU  98   8.063   0.912  -9.455
  777    HB2  LEU  98           HB2      LEU  98   5.819   0.281  -7.505
  778    HB3  LEU  98           HB3      LEU  98   7.509  -0.096  -7.204
  779    HG   LEU  98           HG       LEU  98   6.508   2.747  -7.720
  780   HD11  LEU  98          HD11      LEU  98   7.078   1.331  -5.097
  781   HD12  LEU  98          HD12      LEU  98   5.473   1.807  -5.687
  782   HD13  LEU  98          HD13      LEU  98   6.664   3.053  -5.276
  783   HD21  LEU  98          HD21      LEU  98   9.123   1.686  -6.540
  784   HD22  LEU  98          HD22      LEU  98   8.668   3.395  -6.683
  785   HD23  LEU  98          HD23      LEU  98   8.944   2.434  -8.138
  786    H    GLN  99           H        GLN  99   9.057  -1.041  -9.872
  787    HA   GLN  99           HA       GLN  99   7.455  -2.929 -11.409
  788    HB2  GLN  99           HB2      GLN  99  10.403  -3.019 -10.642
  789    HB3  GLN  99           HB3      GLN  99   9.610  -4.072 -11.813
  790    HG2  GLN  99           HG2      GLN  99   9.923  -1.043 -12.052
  791    HG3  GLN  99           HG3      GLN  99  10.833  -2.258 -12.935
  792   HE21  GLN  99          HE21      GLN  99   7.796  -0.431 -12.877
  793   HE22  GLN  99          HE22      GLN  99   7.164  -1.183 -14.329
  794    H    LYS 100           H        LYS 100   6.774  -4.931 -10.948
  795    HA   LYS 100           HA       LYS 100   5.809  -5.510  -8.482
  796    HB2  LYS 100           HB2      LYS 100   5.073  -6.423 -10.582
  797    HB3  LYS 100           HB3      LYS 100   6.476  -7.504 -10.641
  798    HG2  LYS 100           HG2      LYS 100   5.739  -8.727  -8.708
  799    HG3  LYS 100           HG3      LYS 100   4.533  -7.498  -8.274
  800    HD2  LYS 100           HD2      LYS 100   3.205  -7.997 -10.234
  801    HD3  LYS 100           HD3      LYS 100   4.495  -9.033 -10.867
  802    HE2  LYS 100           HE2      LYS 100   4.187 -10.580  -8.926
  803    HE3  LYS 100           HE3      LYS 100   2.908  -9.533  -8.297
  804    HZ1  LYS 100           HZ1      LYS 100   1.621 -10.010 -10.309
  805    HZ2  LYS 100           HZ2      LYS 100   1.993 -11.402  -9.540
  806    HZ3  LYS 100           HZ3      LYS 100   2.806 -10.977 -10.891
  807    H    LYS 101           H        LYS 101   8.948  -6.691  -9.650
  808    HA   LYS 101           HA       LYS 101   9.619  -8.565  -7.663
  809    HB2  LYS 101           HB2      LYS 101  11.911  -8.215  -8.372
  810    HB3  LYS 101           HB3      LYS 101  10.821  -8.251  -9.757
  811    HG2  LYS 101           HG2      LYS 101  10.927  -5.753  -9.903
  812    HG3  LYS 101           HG3      LYS 101  11.972  -5.719  -8.478
  813    HD2  LYS 101           HD2      LYS 101  13.347  -5.470 -10.419
  814    HD3  LYS 101           HD3      LYS 101  13.676  -7.052  -9.696
  815    HE2  LYS 101           HE2      LYS 101  12.211  -8.132 -11.397
  816    HE3  LYS 101           HE3      LYS 101  11.847  -6.548 -12.095
  817    HZ1  LYS 101           HZ1      LYS 101  14.543  -7.790 -11.994
  818    HZ2  LYS 101           HZ2      LYS 101  14.209  -6.326 -12.644
  819    HZ3  LYS 101           HZ3      LYS 101  13.601  -7.681 -13.323
  820    H    ASN 102           H        ASN 102   9.486  -5.102  -7.271
  821    HA   ASN 102           HA       ASN 102  11.180  -4.948  -4.903
  822    HB2  ASN 102           HB2      ASN 102   9.160  -3.052  -6.189
  823    HB3  ASN 102           HB3      ASN 102  10.112  -2.652  -4.774
  824   HD21  ASN 102          HD21      ASN 102  10.226  -3.005  -8.247
  825   HD22  ASN 102          HD22      ASN 102  11.915  -2.487  -8.409
  826    H    ILE 103           H        ILE 103   7.914  -6.081  -5.310
  827    HA   ILE 103           HA       ILE 103   7.149  -5.080  -2.593
  828    HB   ILE 103           HB       ILE 103   5.310  -6.135  -4.756
  829   HG12  ILE 103          HG12      ILE 103   6.162  -3.280  -4.057
  830   HG13  ILE 103          HG13      ILE 103   6.426  -4.120  -5.590
  831   HG21  ILE 103          HG21      ILE 103   4.482  -6.290  -2.393
  832   HG22  ILE 103          HG22      ILE 103   4.821  -4.561  -2.171
  833   HG23  ILE 103          HG23      ILE 103   3.573  -5.108  -3.313
  834   HD11  ILE 103          HD11      ILE 103   3.946  -4.236  -5.904
  835   HD12  ILE 103          HD12      ILE 103   3.784  -3.172  -4.480
  836   HD13  ILE 103          HD13      ILE 103   4.650  -2.605  -5.923
  837    H    LYS 104           H        LYS 104   7.265  -6.326  -0.993
  838    HA   LYS 104           HA       LYS 104   7.091  -9.299  -1.237
  839    HB2  LYS 104           HB2      LYS 104   7.869  -7.526   1.109
  840    HB3  LYS 104           HB3      LYS 104   7.894  -9.291   1.083
  841    HG2  LYS 104           HG2      LYS 104   9.700  -7.449  -0.534
  842    HG3  LYS 104           HG3      LYS 104  10.124  -8.370   0.910
  843    HD2  LYS 104           HD2      LYS 104   9.492 -10.490  -0.400
  844    HD3  LYS 104           HD3      LYS 104   9.463  -9.456  -1.851
  845    HE2  LYS 104           HE2      LYS 104  11.809  -8.727  -1.312
  846    HE3  LYS 104           HE3      LYS 104  11.798  -9.811   0.087
  847    HZ1  LYS 104           HZ1      LYS 104  11.519 -11.682  -1.442
  848    HZ2  LYS 104           HZ2      LYS 104  12.866 -10.846  -1.831
  849    HZ3  LYS 104           HZ3      LYS 104  11.518 -10.687  -2.741
  850    H    ILE 105           H        ILE 105   5.311 -10.336  -0.588
  851    HA   ILE 105           HA       ILE 105   3.196  -8.875   0.974
  852    HB   ILE 105           HB       ILE 105   2.955 -11.021  -1.169
  853   HG12  ILE 105          HG12      ILE 105   1.788  -8.202  -0.889
  854   HG13  ILE 105          HG13      ILE 105   3.140  -8.651  -1.927
  855   HG21  ILE 105          HG21      ILE 105   1.471 -11.686   0.638
  856   HG22  ILE 105          HG22      ILE 105   0.889 -10.020   0.825
  857   HG23  ILE 105          HG23      ILE 105   0.491 -10.975  -0.628
  858   HD11  ILE 105          HD11      ILE 105   1.589 -10.214  -3.174
  859   HD12  ILE 105          HD12      ILE 105   0.239  -9.485  -2.263
  860   HD13  ILE 105          HD13      ILE 105   1.230  -8.486  -3.326
  861    H    HIS 106           H        HIS 106   2.775  -9.584   2.911
  862    HA   HIS 106           HA       HIS 106   3.784 -12.264   3.795
  863    HB2  HIS 106           HB2      HIS 106   3.716  -9.701   5.412
  864    HB3  HIS 106           HB3      HIS 106   4.410 -11.241   5.891
  865    HD2  HIS 106           HD2      HIS 106   5.145  -8.113   3.810
  866    HE1  HIS 106           HE1      HIS 106   8.740 -10.387   3.844
  867    HE2  HIS 106           HE2      HIS 106   7.727  -8.127   3.284
  868    H    GLY 107           H        GLY 107   2.506 -13.453   5.144
  869    HA2  GLY 107           HA2      GLY 107  -0.377 -12.829   5.264
  870    HA3  GLY 107           HA3      GLY 107   0.426 -14.345   5.714
  871    H    PHE 108           H        PHE 108  -0.568 -14.614   7.644
  872    HA   PHE 108           HA       PHE 108   0.450 -13.194   9.948
  873    HB2  PHE 108           HB2      PHE 108  -1.569 -12.419  10.885
  874    HB3  PHE 108           HB3      PHE 108  -1.411 -11.698   9.309
  875    HD1  PHE 108           HD2      PHE 108  -2.738 -12.957   7.329
  876    HD2  PHE 108           HD1      PHE 108  -3.617 -13.350  11.534
  877    HE1  PHE 108           HE2      PHE 108  -5.050 -13.663   6.780
  878    HE2  PHE 108           HE1      PHE 108  -5.932 -14.051  10.979
  879    HZ   PHE 108           HZ       PHE 108  -6.654 -14.208   8.603
  Start of MODEL    2
    1    H1   MET   1           H        MET   1 -11.544  -8.849 -19.857
    2    H2   MET   1           H2       MET   1 -11.896  -9.702 -18.511
    3    H3   MET   1           H3       MET   1 -10.547 -10.023 -19.342
    4    HA   MET   1           HA       MET   1  -9.572  -7.872 -18.781
    5    HB2  MET   1           HB2      MET   1 -11.752  -6.685 -18.713
    6    HB3  MET   1           HB3      MET   1 -12.114  -7.442 -17.165
    7    HG2  MET   1           HG2      MET   1 -11.278  -5.126 -16.935
    8    HG3  MET   1           HG3      MET   1 -10.282  -6.285 -16.088
    9    HE1  MET   1           HE1      MET   1  -9.111  -3.954 -19.917
   10    HE2  MET   1           HE2      MET   1 -10.374  -5.199 -19.961
   11    HE3  MET   1           HE3      MET   1 -10.601  -3.732 -18.978
   12    H    SER   2           H        SER   2  -8.149  -7.730 -17.081
   13    HA   SER   2           HA       SER   2  -6.931  -8.292 -15.242
   14    HB2  SER   2           HB2      SER   2  -9.172  -7.863 -14.099
   15    HB3  SER   2           HB3      SER   2  -9.339  -9.625 -13.994
   16    HG   SER   2           HG       SER   2  -8.328  -8.621 -12.128
   17    H    ILE   3           H        ILE   3  -6.731 -10.439 -13.608
   18    HA   ILE   3           HA       ILE   3  -6.393 -12.869 -15.287
   19    HB   ILE   3           HB       ILE   3  -4.152 -13.260 -14.603
   20   HG12  ILE   3          HG12      ILE   3  -3.998 -12.318 -12.397
   21   HG13  ILE   3          HG13      ILE   3  -2.696 -11.760 -13.421
   22   HG21  ILE   3          HG21      ILE   3  -4.294 -10.460 -15.773
   23   HG22  ILE   3          HG22      ILE   3  -2.931 -11.590 -15.862
   24   HG23  ILE   3          HG23      ILE   3  -4.461 -11.988 -16.658
   25   HD11  ILE   3          HD11      ILE   3  -5.095 -10.129 -12.502
   26   HD12  ILE   3          HD12      ILE   3  -3.407  -9.946 -12.022
   27   HD13  ILE   3          HD13      ILE   3  -3.887  -9.549 -13.679
   28    H    GLU   4           H        GLU   4  -5.929 -14.827 -13.995
   29    HA   GLU   4           HA       GLU   4  -7.623 -14.921 -11.633
   30    HB2  GLU   4           HB2      GLU   4  -7.528 -16.729 -13.353
   31    HB3  GLU   4           HB3      GLU   4  -5.866 -17.072 -12.876
   32    HG2  GLU   4           HG2      GLU   4  -7.339 -18.679 -11.840
   33    HG3  GLU   4           HG3      GLU   4  -6.659 -17.658 -10.582
   34    H    ASN   5           H        ASN   5  -7.033 -14.875  -9.549
   35    HA   ASN   5           HA       ASN   5  -4.294 -14.184  -8.834
   36    HB2  ASN   5           HB2      ASN   5  -5.279 -13.759  -6.586
   37    HB3  ASN   5           HB3      ASN   5  -5.982 -12.847  -7.908
   38   HD21  ASN   5          HD21      ASN   5  -6.585 -15.875  -6.010
   39   HD22  ASN   5          HD22      ASN   5  -8.336 -15.693  -6.040
   40    H    LEU   6           H        LEU   6  -3.894 -16.552  -9.751
   41    HA   LEU   6           HA       LEU   6  -4.314 -18.864  -8.175
   42    HB2  LEU   6           HB2      LEU   6  -2.029 -18.155 -10.072
   43    HB3  LEU   6           HB3      LEU   6  -2.347 -19.777  -9.469
   44    HG   LEU   6           HG       LEU   6  -4.281 -18.170 -11.194
   45   HD11  LEU   6          HD11      LEU   6  -2.433 -20.483 -11.920
   46   HD12  LEU   6          HD12      LEU   6  -2.228 -18.787 -12.412
   47   HD13  LEU   6          HD13      LEU   6  -3.620 -19.713 -12.996
   48   HD21  LEU   6          HD21      LEU   6  -5.434 -20.368 -11.479
   49   HD22  LEU   6          HD22      LEU   6  -5.487 -19.809  -9.803
   50   HD23  LEU   6          HD23      LEU   6  -4.341 -21.085 -10.276
   51    H    LYS   7           H        LYS   7  -1.562 -16.606  -8.026
   52    HA   LYS   7           HA       LYS   7  -0.961 -17.183  -5.279
   53    HB2  LYS   7           HB2      LYS   7   1.300 -18.160  -5.604
   54    HB3  LYS   7           HB3      LYS   7   0.001 -19.237  -6.085
   55    HG2  LYS   7           HG2      LYS   7   0.404 -18.646  -8.488
   56    HG3  LYS   7           HG3      LYS   7   1.746 -17.601  -7.983
   57    HD2  LYS   7           HD2      LYS   7   2.911 -19.569  -7.011
   58    HD3  LYS   7           HD3      LYS   7   1.527 -20.588  -7.406
   59    HE2  LYS   7           HE2      LYS   7   3.153 -21.023  -9.076
   60    HE3  LYS   7           HE3      LYS   7   1.866 -20.090  -9.837
   61    HZ1  LYS   7           HZ1      LYS   7   3.294 -18.114  -9.634
   62    HZ2  LYS   7           HZ2      LYS   7   4.050 -19.284 -10.482
   63    HZ3  LYS   7           HZ3      LYS   7   4.483 -19.007  -8.935
   64    H    SER   8           H        SER   8   0.625 -15.814  -4.355
   65    HA   SER   8           HA       SER   8   1.279 -13.338  -5.810
   66    HB2  SER   8           HB2      SER   8   2.398 -12.828  -3.584
   67    HB3  SER   8           HB3      SER   8   0.646 -13.089  -3.532
   68    HG   SER   8           HG       SER   8   1.736 -14.234  -1.846
   69    H    PHE   9           H        PHE   9   3.116 -15.909  -4.176
   70    HA   PHE   9           HA       PHE   9   4.943 -17.094  -4.655
   71    HB2  PHE   9           HB2      PHE   9   3.977 -17.006  -7.008
   72    HB3  PHE   9           HB3      PHE   9   5.146 -15.742  -7.360
   73    HD1  PHE   9           HD1      PHE   9   5.025 -19.208  -5.850
   74    HD2  PHE   9           HD2      PHE   9   7.180 -16.416  -8.338
   75    HE1  PHE   9           HE1      PHE   9   6.684 -20.968  -6.393
   76    HE2  PHE   9           HE2      PHE   9   8.838 -18.179  -8.872
   77    HZ   PHE   9           HZ       PHE   9   8.594 -20.458  -7.905
   78    H    ASP  10           H        ASP  10   7.333 -16.993  -5.077
   79    HA   ASP  10           HA       ASP  10   8.425 -14.734  -3.576
   80    HB2  ASP  10           HB2      ASP  10   9.671 -17.292  -4.630
   81    HB3  ASP  10           HB3      ASP  10  10.532 -16.072  -3.694
   82    HA   PRO  11           HA       PRO  11  10.176 -12.926  -7.402
   83    HB2  PRO  11           HB2      PRO  11  10.783 -10.468  -6.511
   84    HB3  PRO  11           HB3      PRO  11   9.093 -11.019  -6.562
   85    HG2  PRO  11           HG2      PRO  11  10.952 -11.040  -4.162
   86    HG3  PRO  11           HG3      PRO  11   9.292 -10.369  -4.278
   87    HD2  PRO  11           HD2      PRO  11   9.872 -12.926  -3.350
   88    HD3  PRO  11           HD3      PRO  11   8.326 -12.483  -4.136
   89    H    PHE  12           H        PHE  12  12.482 -11.030  -6.364
   90    HA   PHE  12           HA       PHE  12  14.622 -13.040  -6.565
   91    HB2  PHE  12           HB2      PHE  12  14.680 -10.001  -6.648
   92    HB3  PHE  12           HB3      PHE  12  16.026 -11.075  -7.019
   93    HD1  PHE  12           HD2      PHE  12  16.069 -12.448  -9.068
   94    HD2  PHE  12           HD1      PHE  12  12.857  -9.686  -8.273
   95    HE1  PHE  12           HE2      PHE  12  15.374 -12.567 -11.448
   96    HE2  PHE  12           HE1      PHE  12  12.162  -9.808 -10.656
   97    HZ   PHE  12           HZ       PHE  12  13.421 -11.249 -12.246
   98    H    ALA  13           H        ALA  13  16.385 -10.918  -5.144
   99    HA   ALA  13           HA       ALA  13  16.482 -12.228  -2.555
  100    HB1  ALA  13           HB1      ALA  13  18.515 -10.893  -2.297
  101    HB2  ALA  13           HB2      ALA  13  18.469 -11.567  -3.926
  102    HB3  ALA  13           HB3      ALA  13  18.053  -9.857  -3.666
  103    H    ASP  14           H        ASP  14  17.277 -10.170  -0.864
  104    HA   ASP  14           HA       ASP  14  15.091  -8.214  -0.601
  105    HB2  ASP  14           HB2      ASP  14  14.346 -10.424   0.452
  106    HB3  ASP  14           HB3      ASP  14  15.617 -10.200   1.648
  107    H    THR  15           H        THR  15  17.508  -7.530  -1.302
  108    HA   THR  15           HA       THR  15  19.427  -7.066   0.814
  109    HB   THR  15           HB       THR  15  20.577  -5.705  -0.982
  110    HG1  THR  15           HG1      THR  15  19.664  -5.819  -3.045
  111   HG21  THR  15          HG21      THR  15  19.708  -8.509  -1.829
  112   HG22  THR  15          HG22      THR  15  21.016  -8.136  -0.684
  113   HG23  THR  15          HG23      THR  15  21.151  -7.628  -2.375
  114    H    GLY  16           H        GLY  16  20.384  -4.857   1.136
  115    HA2  GLY  16           HA2      GLY  16  18.402  -3.178   2.399
  116    HA3  GLY  16           HA3      GLY  16  20.142  -2.862   2.299
  117    H    ASP  17           H        ASP  17  18.020  -0.977   2.101
  118    HA   ASP  17           HA       ASP  17  17.458  -0.115  -0.556
  119    HB2  ASP  17           HB2      ASP  17  17.588   1.490   2.029
  120    HB3  ASP  17           HB3      ASP  17  16.834   2.016   0.530
  121    H    ASP  18           H        ASP  18  18.313   1.576  -1.820
  122    HA   ASP  18           HA       ASP  18  20.626   3.106  -0.871
  123    HB2  ASP  18           HB2      ASP  18  21.585   1.014  -1.940
  124    HB3  ASP  18           HB3      ASP  18  20.864   1.538  -3.464
  125    H    GLU  19           H        GLU  19  21.119   4.951  -2.182
  126    HA   GLU  19           HA       GLU  19  18.667   6.249  -3.106
  127    HB2  GLU  19           HB2      GLU  19  21.538   7.242  -2.909
  128    HB3  GLU  19           HB3      GLU  19  20.151   8.233  -3.379
  129    HG2  GLU  19           HG2      GLU  19  19.072   7.757  -1.183
  130    HG3  GLU  19           HG3      GLU  19  20.490   6.823  -0.694
  131    H    THR  20           H        THR  20  17.960   6.352  -5.095
  132    HA   THR  20           HA       THR  20  17.725   6.573  -7.336
  133    HB   THR  20           HB       THR  20  20.737   7.004  -7.475
  134    HG1  THR  20           HG1      THR  20  19.720   8.495  -6.121
  135   HG21  THR  20          HG21      THR  20  20.144   8.330  -9.503
  136   HG22  THR  20          HG22      THR  20  18.475   7.726  -9.393
  137   HG23  THR  20          HG23      THR  20  19.821   6.606  -9.708
  138    H    ALA  21           H        ALA  21  20.381   4.417  -6.479
  139    HA   ALA  21           HA       ALA  21  20.447   2.983  -8.937
  140    HB1  ALA  21           HB1      ALA  21  22.166   1.672  -7.769
  141    HB2  ALA  21           HB2      ALA  21  22.360   3.395  -7.410
  142    HB3  ALA  21           HB3      ALA  21  21.623   2.315  -6.206
  143    H    THR  22           H        THR  22  17.782   2.821  -7.844
  144    HA   THR  22           HA       THR  22  16.006   1.435  -8.031
  145    HB   THR  22           HB       THR  22  17.962  -0.751  -8.832
  146    HG1  THR  22           HG1      THR  22  17.614   0.074 -10.908
  147   HG21  THR  22          HG21      THR  22  15.002  -0.312  -9.436
  148   HG22  THR  22          HG22      THR  22  15.712  -1.649  -8.501
  149   HG23  THR  22          HG23      THR  22  16.039  -1.519 -10.231
  150    H    SER  23           H        SER  23  18.622  -0.018  -6.126
  151    HA   SER  23           HA       SER  23  17.248  -2.025  -4.812
  152    HB2  SER  23           HB2      SER  23  19.412  -0.259  -3.634
  153    HB3  SER  23           HB3      SER  23  18.941  -1.871  -3.070
  154    HG   SER  23           HG       SER  23  20.778  -1.946  -4.471
  155    H    ASN  24           H        ASN  24  15.450  -2.021  -3.723
  156    HA   ASN  24           HA       ASN  24  14.915  -0.678  -1.287
  157    HB2  ASN  24           HB2      ASN  24  14.431   1.334  -2.488
  158    HB3  ASN  24           HB3      ASN  24  13.633   0.455  -3.797
  159   HD21  ASN  24          HD21      ASN  24  13.259   0.968  -0.204
  160   HD22  ASN  24          HD22      ASN  24  11.500   1.070  -0.292
  161    H    TYR  25           H        TYR  25  13.238  -1.698  -0.220
  162    HA   TYR  25           HA       TYR  25  11.465  -3.465  -1.798
  163    HB2  TYR  25           HB2      TYR  25  13.002  -4.300   0.661
  164    HB3  TYR  25           HB3      TYR  25  11.523  -5.106   0.137
  165    HD1  TYR  25           HD1      TYR  25  11.368  -6.284  -2.018
  166    HD2  TYR  25           HD2      TYR  25  15.060  -4.528  -0.664
  167    HE1  TYR  25           HE1      TYR  25  12.628  -7.534  -3.790
  168    HE2  TYR  25           HE2      TYR  25  16.313  -5.757  -2.429
  169    HH   TYR  25           HH       TYR  25  14.666  -7.939  -4.752
  170    H    ILE  26           H        ILE  26   9.474  -3.476  -1.362
  171    HA   ILE  26           HA       ILE  26   8.298  -1.787   0.819
  172    HB   ILE  26           HB       ILE  26   7.140  -2.612  -1.880
  173   HG12  ILE  26          HG12      ILE  26   8.452   0.002  -1.044
  174   HG13  ILE  26          HG13      ILE  26   8.993  -1.106  -2.298
  175   HG21  ILE  26          HG21      ILE  26   5.459  -2.185  -0.054
  176   HG22  ILE  26          HG22      ILE  26   6.121  -0.546   0.127
  177   HG23  ILE  26          HG23      ILE  26   5.325  -1.047  -1.381
  178   HD11  ILE  26          HD11      ILE  26   7.995   0.769  -3.362
  179   HD12  ILE  26          HD12      ILE  26   6.928  -0.629  -3.607
  180   HD13  ILE  26          HD13      ILE  26   6.513   0.629  -2.409
  181    H    HIS  27           H        HIS  27   6.987  -2.850   2.239
  182    HA   HIS  27           HA       HIS  27   6.480  -5.774   1.763
  183    HB2  HIS  27           HB2      HIS  27   7.190  -4.377   4.365
  184    HB3  HIS  27           HB3      HIS  27   6.799  -6.082   4.173
  185    HD2  HIS  27           HD2      HIS  27   9.598  -3.527   3.508
  186    HE1  HIS  27           HE1      HIS  27  11.252  -7.368   2.726
  187    HE2  HIS  27           HE2      HIS  27  11.782  -4.890   2.970
  188    H    ILE  28           H        ILE  28   4.386  -6.142   1.508
  189    HA   ILE  28           HA       ILE  28   2.386  -4.427   2.966
  190    HB   ILE  28           HB       ILE  28   1.883  -6.076   0.464
  191   HG12  ILE  28          HG12      ILE  28   2.322  -3.054   0.677
  192   HG13  ILE  28          HG13      ILE  28   3.505  -4.183   0.017
  193   HG21  ILE  28          HG21      ILE  28  -0.233  -4.723   0.447
  194   HG22  ILE  28          HG22      ILE  28  -0.081  -5.635   1.947
  195   HG23  ILE  28          HG23      ILE  28   0.277  -3.903   1.927
  196   HD11  ILE  28          HD11      ILE  28   2.364  -3.144  -1.809
  197   HD12  ILE  28          HD12      ILE  28   1.915  -4.860  -1.745
  198   HD13  ILE  28          HD13      ILE  28   0.781  -3.617  -1.176
  199    H    ARG  29           H        ARG  29   1.959  -5.328   4.769
  200    HA   ARG  29           HA       ARG  29   1.883  -8.289   5.137
  201    HB2  ARG  29           HB2      ARG  29   2.344  -6.095   7.192
  202    HB3  ARG  29           HB3      ARG  29   2.597  -7.826   7.413
  203    HG2  ARG  29           HG2      ARG  29   4.521  -7.706   5.825
  204    HG3  ARG  29           HG3      ARG  29   4.246  -5.967   5.630
  205    HD2  ARG  29           HD2      ARG  29   4.579  -5.655   8.075
  206    HD3  ARG  29           HD3      ARG  29   4.946  -7.373   8.244
  207    HE   ARG  29           HE       ARG  29   6.672  -5.256   7.190
  208   HH11  ARG  29          HH21      ARG  29   6.267  -8.783   7.141
  209   HH12  ARG  29          HH22      ARG  29   7.930  -9.029   6.705
  210   HH21  ARG  29          HH11      ARG  29   8.691  -5.622   6.659
  211   HH22  ARG  29          HH12      ARG  29   9.317  -7.241   6.410
  212    H    ILE  30           H        ILE  30   0.502  -8.860   7.177
  213    HA   ILE  30           HA       ILE  30  -1.990  -7.191   7.317
  214    HB   ILE  30           HB       ILE  30  -1.710 -10.204   7.432
  215   HG12  ILE  30          HG12      ILE  30  -3.378  -8.388   5.632
  216   HG13  ILE  30          HG13      ILE  30  -1.860  -9.157   5.167
  217   HG21  ILE  30          HG21      ILE  30  -4.182  -8.535   8.077
  218   HG22  ILE  30          HG22      ILE  30  -4.137 -10.303   7.950
  219   HG23  ILE  30          HG23      ILE  30  -3.257  -9.525   9.230
  220   HD11  ILE  30          HD11      ILE  30  -3.678 -10.440   4.247
  221   HD12  ILE  30          HD12      ILE  30  -2.895 -11.404   5.521
  222   HD13  ILE  30          HD13      ILE  30  -4.461 -10.601   5.812
  223    H    GLN  31           H        GLN  31  -2.834  -6.830   9.345
  224    HA   GLN  31           HA       GLN  31  -0.937  -7.010  11.613
  225    HB2  GLN  31           HB2      GLN  31  -2.301  -4.908  10.930
  226    HB3  GLN  31           HB3      GLN  31  -3.709  -5.769  11.549
  227    HG2  GLN  31           HG2      GLN  31  -3.091  -4.453  13.360
  228    HG3  GLN  31           HG3      GLN  31  -2.332  -5.983  13.776
  229   HE21  GLN  31          HE21      GLN  31   0.009  -5.994  13.996
  230   HE22  GLN  31          HE22      GLN  31   0.954  -4.547  13.656
  231    H    GLN  32           H        GLN  32  -1.239  -8.383  13.322
  232    HA   GLN  32           HA       GLN  32  -3.079 -10.602  12.997
  233    HB2  GLN  32           HB2      GLN  32  -2.027 -11.501  15.007
  234    HB3  GLN  32           HB3      GLN  32  -0.842 -11.044  13.801
  235    HG2  GLN  32           HG2      GLN  32  -1.515  -9.261  16.188
  236    HG3  GLN  32           HG3      GLN  32  -0.307 -10.532  16.248
  237   HE21  GLN  32          HE21      GLN  32   1.734 -10.249  15.116
  238   HE22  GLN  32          HE22      GLN  32   2.158  -8.682  14.449
  239    H    ARG  33           H        ARG  33  -4.627 -11.358  14.492
  240    HA   ARG  33           HA       ARG  33  -6.398  -9.240  15.399
  241    HB2  ARG  33           HB2      ARG  33  -6.592 -12.284  15.474
  242    HB3  ARG  33           HB3      ARG  33  -7.873 -11.208  16.016
  243    HG2  ARG  33           HG2      ARG  33  -6.793 -11.357  13.163
  244    HG3  ARG  33           HG3      ARG  33  -8.300 -12.053  13.767
  245    HD2  ARG  33           HD2      ARG  33  -8.911  -9.651  14.498
  246    HD3  ARG  33           HD3      ARG  33  -7.590  -9.118  13.459
  247    HE   ARG  33           HE       ARG  33  -8.767  -9.909  11.530
  248   HH11  ARG  33          HH11      ARG  33 -10.759 -10.335  14.443
  249   HH12  ARG  33          HH12      ARG  33 -12.216 -10.490  13.510
  250   HH21  ARG  33          HH21      ARG  33 -10.639 -10.081  10.437
  251   HH22  ARG  33          HH22      ARG  33 -12.157 -10.359  11.256
  252    H    ASN  34           H        ASN  34  -6.742  -8.513  17.311
  253    HA   ASN  34           HA       ASN  34  -6.574  -9.927  19.790
  254    HB2  ASN  34           HB2      ASN  34  -4.121  -9.524  19.477
  255    HB3  ASN  34           HB3      ASN  34  -4.432  -7.796  19.377
  256   HD21  ASN  34          HD21      ASN  34  -2.771  -7.956  21.238
  257   HD22  ASN  34          HD22      ASN  34  -3.439  -8.161  22.847
  258    H    GLY  35           H        GLY  35  -8.769  -9.110  19.309
  259    HA2  GLY  35           HA2      GLY  35 -10.552  -7.722  19.900
  260    HA3  GLY  35           HA3      GLY  35  -9.410  -6.495  20.500
  261    H    ARG  36           H        ARG  36  -7.862  -6.182  18.163
  262    HA   ARG  36           HA       ARG  36  -9.278  -4.375  16.489
  263    HB2  ARG  36           HB2      ARG  36  -6.771  -6.001  15.893
  264    HB3  ARG  36           HB3      ARG  36  -7.294  -4.567  15.010
  265    HG2  ARG  36           HG2      ARG  36  -6.991  -3.175  17.024
  266    HG3  ARG  36           HG3      ARG  36  -6.438  -4.588  17.939
  267    HD2  ARG  36           HD2      ARG  36  -5.106  -3.519  15.415
  268    HD3  ARG  36           HD3      ARG  36  -4.573  -3.168  17.052
  269    HE   ARG  36           HE       ARG  36  -4.464  -5.816  15.662
  270   HH11  ARG  36          HH11      ARG  36  -3.450  -3.919  18.483
  271   HH12  ARG  36          HH12      ARG  36  -2.291  -5.117  18.970
  272   HH21  ARG  36          HH21      ARG  36  -3.048  -7.323  16.374
  273   HH22  ARG  36          HH22      ARG  36  -2.034  -7.016  17.764
  274    H    LYS  37           H        LYS  37  -9.875  -4.527  14.289
  275    HA   LYS  37           HA       LYS  37 -10.731  -7.161  13.223
  276    HB2  LYS  37           HB2      LYS  37 -10.898  -4.321  12.112
  277    HB3  LYS  37           HB3      LYS  37 -11.539  -5.755  11.306
  278    HG2  LYS  37           HG2      LYS  37 -13.022  -6.199  13.256
  279    HG3  LYS  37           HG3      LYS  37 -12.443  -4.708  14.023
  280    HD2  LYS  37           HD2      LYS  37 -13.285  -3.385  12.101
  281    HD3  LYS  37           HD3      LYS  37 -13.866  -4.879  11.328
  282    HE2  LYS  37           HE2      LYS  37 -15.336  -5.314  13.293
  283    HE3  LYS  37           HE3      LYS  37 -14.767  -3.822  14.052
  284    HZ1  LYS  37           HZ1      LYS  37 -15.718  -2.587  12.181
  285    HZ2  LYS  37           HZ2      LYS  37 -16.873  -3.483  12.908
  286    HZ3  LYS  37           HZ3      LYS  37 -16.247  -3.969  11.482
  287    H    THR  38           H        THR  38 -10.118  -7.394  10.698
  288    HA   THR  38           HA       THR  38  -7.235  -7.759  10.518
  289    HB   THR  38           HB       THR  38  -9.321  -7.880   8.298
  290    HG1  THR  38           HG1      THR  38  -9.032 -10.177   8.801
  291   HG21  THR  38          HG21      THR  38  -6.977  -7.786   7.452
  292   HG22  THR  38          HG22      THR  38  -7.675  -9.391   7.221
  293   HG23  THR  38          HG23      THR  38  -6.533  -9.111   8.554
  294    H    LEU  39           H        LEU  39  -5.737  -6.378   9.797
  295    HA   LEU  39           HA       LEU  39  -6.521  -4.048   8.110
  296    HB2  LEU  39           HB2      LEU  39  -4.395  -3.981  10.284
  297    HB3  LEU  39           HB3      LEU  39  -4.857  -2.653   9.244
  298    HG   LEU  39           HG       LEU  39  -6.659  -3.892  11.373
  299   HD11  LEU  39          HD11      LEU  39  -6.161  -1.880  12.684
  300   HD12  LEU  39          HD12      LEU  39  -5.058  -1.305  11.418
  301   HD13  LEU  39          HD13      LEU  39  -4.672  -2.775  12.336
  302   HD21  LEU  39          HD21      LEU  39  -7.984  -2.822   9.619
  303   HD22  LEU  39          HD22      LEU  39  -6.962  -1.369   9.676
  304   HD23  LEU  39          HD23      LEU  39  -7.996  -1.803  11.056
  305    H    THR  40           H        THR  40  -5.055  -3.536   6.516
  306    HA   THR  40           HA       THR  40  -2.752  -5.373   5.992
  307    HB   THR  40           HB       THR  40  -4.340  -3.490   4.209
  308    HG1  THR  40           HG1      THR  40  -5.122  -5.559   4.828
  309   HG21  THR  40          HG21      THR  40  -2.943  -4.372   2.356
  310   HG22  THR  40          HG22      THR  40  -1.895  -5.198   3.530
  311   HG23  THR  40          HG23      THR  40  -1.958  -3.419   3.472
  312    H    THR  41           H        THR  41  -0.784  -4.667   6.470
  313    HA   THR  41           HA       THR  41  -0.311  -1.800   7.138
  314    HB   THR  41           HB       THR  41   1.793  -3.001   8.245
  315    HG1  THR  41           HG1      THR  41   1.077  -4.964   9.171
  316   HG21  THR  41          HG21      THR  41   0.076  -1.600   9.359
  317   HG22  THR  41          HG22      THR  41   0.536  -2.998  10.342
  318   HG23  THR  41          HG23      THR  41  -1.006  -3.013   9.452
  319    H    VAL  42           H        VAL  42   0.648  -0.671   5.686
  320    HA   VAL  42           HA       VAL  42   2.461  -1.958   3.675
  321    HB   VAL  42           HB       VAL  42   1.406   0.884   3.665
  322   HG11  VAL  42          HG11      VAL  42   2.035   0.802   1.256
  323   HG12  VAL  42          HG12      VAL  42   3.438   0.606   2.308
  324   HG13  VAL  42          HG13      VAL  42   2.739  -0.813   1.506
  325   HG21  VAL  42          HG21      VAL  42   0.323  -1.533   2.166
  326   HG22  VAL  42          HG22      VAL  42  -0.507  -0.677   3.487
  327   HG23  VAL  42          HG23      VAL  42  -0.205   0.158   1.965
  328    H    GLN  43           H        GLN  43   4.570  -1.755   3.825
  329    HA   GLN  43           HA       GLN  43   5.876   0.399   5.453
  330    HB2  GLN  43           HB2      GLN  43   5.604  -1.729   6.717
  331    HB3  GLN  43           HB3      GLN  43   6.337  -2.614   5.390
  332    HG2  GLN  43           HG2      GLN  43   8.499  -1.378   5.808
  333    HG3  GLN  43           HG3      GLN  43   7.721  -0.584   7.185
  334   HE21  GLN  43          HE22      GLN  43   8.612  -1.554   9.028
  335   HE22  GLN  43          HE21      GLN  43   8.858  -3.297   9.181
  336    H    GLY  44           H        GLY  44   8.042   0.939   4.744
  337    HA2  GLY  44           HA2      GLY  44   9.954   0.891   3.475
  338    HA3  GLY  44           HA3      GLY  44   9.373  -0.594   2.699
  339    H    VAL  45           H        VAL  45   6.977   1.502   2.043
  340    HA   VAL  45           HA       VAL  45   7.617   2.015  -0.659
  341    HB   VAL  45           HB       VAL  45   5.350   2.073   0.129
  342   HG11  VAL  45          HG11      VAL  45   5.641   3.269   2.298
  343   HG12  VAL  45          HG12      VAL  45   5.906   4.781   1.399
  344   HG13  VAL  45          HG13      VAL  45   4.348   3.944   1.296
  345   HG21  VAL  45          HG21      VAL  45   6.136   4.737  -1.121
  346   HG22  VAL  45          HG22      VAL  45   5.913   3.203  -1.997
  347   HG23  VAL  45          HG23      VAL  45   4.538   3.971  -1.190
  348    HA   PRO  46           HA       PRO  46  10.749   5.178  -0.405
  349    HB2  PRO  46           HB2      PRO  46   9.548   5.991  -3.053
  350    HB3  PRO  46           HB3      PRO  46  11.258   5.867  -2.618
  351    HG2  PRO  46           HG2      PRO  46  10.096   3.866  -4.003
  352    HG3  PRO  46           HG3      PRO  46  11.138   3.458  -2.599
  353    HD2  PRO  46           HD2      PRO  46   8.110   3.613  -2.708
  354    HD3  PRO  46           HD3      PRO  46   9.166   2.371  -1.970
  355    H    GLU  47           H        GLU  47  10.932   7.307   0.232
  356    HA   GLU  47           HA       GLU  47   8.607   8.445   1.363
  357    HB2  GLU  47           HB2      GLU  47  10.978   8.496   2.217
  358    HB3  GLU  47           HB3      GLU  47  11.355   9.723   1.005
  359    HG2  GLU  47           HG2      GLU  47   9.752  11.276   2.068
  360    HG3  GLU  47           HG3      GLU  47   9.258  10.013   3.203
  361    H    GLU  48           H        GLU  48   9.931   8.987  -1.791
  362    HA   GLU  48           HA       GLU  48   8.874  11.629  -2.269
  363    HB2  GLU  48           HB2      GLU  48   9.348  11.226  -4.582
  364    HB3  GLU  48           HB3      GLU  48  10.687  10.642  -3.601
  365    HG2  GLU  48           HG2      GLU  48   9.803   8.300  -3.853
  366    HG3  GLU  48           HG3      GLU  48   8.532   8.922  -4.910
  367    H    TYR  49           H        TYR  49   7.312   8.531  -2.048
  368    HA   TYR  49           HA       TYR  49   4.868   9.457  -3.458
  369    HB2  TYR  49           HB2      TYR  49   5.519   6.798  -2.143
  370    HB3  TYR  49           HB3      TYR  49   4.079   7.183  -3.074
  371    HD1  TYR  49           HD2      TYR  49   4.431   7.985  -5.542
  372    HD2  TYR  49           HD1      TYR  49   7.436   5.913  -3.246
  373    HE1  TYR  49           HE2      TYR  49   5.615   7.373  -7.645
  374    HE2  TYR  49           HE1      TYR  49   8.650   5.355  -5.339
  375    HH   TYR  49           HH       TYR  49   8.680   5.500  -7.630
  376    H    ASP  50           H        ASP  50   3.659  10.800  -2.290
  377    HA   ASP  50           HA       ASP  50   3.802  11.133   0.524
  378    HB2  ASP  50           HB2      ASP  50   3.173  12.943  -0.949
  379    HB3  ASP  50           HB3      ASP  50   1.773  12.049  -1.538
  380    H    LEU  51           H        LEU  51   3.045   9.915   2.108
  381    HA   LEU  51           HA       LEU  51   1.365   7.664   1.760
  382    HB2  LEU  51           HB2      LEU  51   1.874   9.259   4.304
  383    HB3  LEU  51           HB3      LEU  51   1.308   7.591   4.217
  384    HG   LEU  51           HG       LEU  51   4.065   8.646   3.470
  385   HD11  LEU  51          HD11      LEU  51   3.572   8.466   5.882
  386   HD12  LEU  51          HD12      LEU  51   4.782   7.267   5.384
  387   HD13  LEU  51          HD13      LEU  51   3.102   6.766   5.672
  388   HD21  LEU  51          HD21      LEU  51   4.749   6.319   3.093
  389   HD22  LEU  51          HD22      LEU  51   3.508   6.788   1.928
  390   HD23  LEU  51          HD23      LEU  51   3.082   5.760   3.320
  391    H    LYS  52           H        LYS  52   0.512  10.968   2.781
  392    HA   LYS  52           HA       LYS  52  -2.253  10.480   3.362
  393    HB2  LYS  52           HB2      LYS  52  -0.837  12.999   2.422
  394    HB3  LYS  52           HB3      LYS  52  -2.484  12.939   3.053
  395    HG2  LYS  52           HG2      LYS  52  -1.683  12.116   5.219
  396    HG3  LYS  52           HG3      LYS  52  -0.014  12.080   4.639
  397    HD2  LYS  52           HD2      LYS  52  -1.720  14.596   4.842
  398    HD3  LYS  52           HD3      LYS  52  -0.531  14.063   6.041
  399    HE2  LYS  52           HE2      LYS  52   1.260  14.157   4.299
  400    HE3  LYS  52           HE3      LYS  52   0.082  14.750   3.127
  401    HZ1  LYS  52           HZ1      LYS  52   0.841  16.151   5.630
  402    HZ2  LYS  52           HZ2      LYS  52  -0.254  16.698   4.546
  403    HZ3  LYS  52           HZ3      LYS  52   1.318  16.569   4.127
  404    H    ARG  53           H        ARG  53  -0.670  11.329   0.229
  405    HA   ARG  53           HA       ARG  53  -3.091  11.291  -1.300
  406    HB2  ARG  53           HB2      ARG  53  -1.017  12.266  -2.158
  407    HB3  ARG  53           HB3      ARG  53  -0.225  10.697  -2.134
  408    HG2  ARG  53           HG2      ARG  53  -0.865  11.311  -4.394
  409    HG3  ARG  53           HG3      ARG  53  -1.690   9.843  -3.882
  410    HD2  ARG  53           HD2      ARG  53  -3.752  11.177  -3.428
  411    HD3  ARG  53           HD3      ARG  53  -2.904  12.638  -3.980
  412    HE   ARG  53           HE       ARG  53  -2.661  10.718  -6.022
  413   HH11  ARG  53          HH11      ARG  53  -5.304  12.559  -4.553
  414   HH12  ARG  53          HH12      ARG  53  -6.288  12.454  -5.981
  415   HH21  ARG  53          HH21      ARG  53  -3.977  10.636  -7.833
  416   HH22  ARG  53          HH22      ARG  53  -5.542  11.389  -7.812
  417    H    ILE  54           H        ILE  54  -0.897   8.640  -0.296
  418    HA   ILE  54           HA       ILE  54  -2.214   6.538  -1.797
  419    HB   ILE  54           HB       ILE  54  -0.554   6.341   0.734
  420   HG12  ILE  54          HG12      ILE  54   0.174   5.898  -2.194
  421   HG13  ILE  54          HG13      ILE  54   0.616   7.318  -1.281
  422   HG21  ILE  54          HG21      ILE  54  -1.992   4.369   0.476
  423   HG22  ILE  54          HG22      ILE  54  -1.519   4.210  -1.228
  424   HG23  ILE  54          HG23      ILE  54  -0.343   3.930   0.075
  425   HD11  ILE  54          HD11      ILE  54   1.910   5.857   0.314
  426   HD12  ILE  54          HD12      ILE  54   1.636   4.507  -0.811
  427   HD13  ILE  54          HD13      ILE  54   2.536   5.929  -1.345
  428    H    LEU  55           H        LEU  55  -2.820   7.850   1.528
  429    HA   LEU  55           HA       LEU  55  -5.071   6.189   2.069
  430    HB2  LEU  55           HB2      LEU  55  -4.828   9.125   2.868
  431    HB3  LEU  55           HB3      LEU  55  -5.824   7.883   3.574
  432    HG   LEU  55           HG       LEU  55  -2.869   8.330   3.895
  433   HD11  LEU  55          HD11      LEU  55  -3.488   8.282   6.274
  434   HD12  LEU  55          HD12      LEU  55  -5.163   7.879   5.842
  435   HD13  LEU  55          HD13      LEU  55  -4.473   9.455   5.390
  436   HD21  LEU  55          HD21      LEU  55  -4.323   5.738   4.548
  437   HD22  LEU  55          HD22      LEU  55  -2.724   6.213   5.177
  438   HD23  LEU  55          HD23      LEU  55  -2.931   5.965   3.442
  439    H    LYS  56           H        LYS  56  -5.053   9.474   0.576
  440    HA   LYS  56           HA       LYS  56  -7.800   9.667   0.041
  441    HB2  LYS  56           HB2      LYS  56  -5.383  10.815  -1.383
  442    HB3  LYS  56           HB3      LYS  56  -7.043  11.224  -1.834
  443    HG2  LYS  56           HG2      LYS  56  -7.528  11.997   0.463
  444    HG3  LYS  56           HG3      LYS  56  -5.872  11.619   0.961
  445    HD2  LYS  56           HD2      LYS  56  -5.009  13.225  -0.728
  446    HD3  LYS  56           HD3      LYS  56  -6.685  13.600  -1.199
  447    HE2  LYS  56           HE2      LYS  56  -7.154  14.353   1.134
  448    HE3  LYS  56           HE3      LYS  56  -5.480  14.005   1.582
  449    HZ1  LYS  56           HZ1      LYS  56  -5.793  16.353   1.066
  450    HZ2  LYS  56           HZ2      LYS  56  -6.325  16.013  -0.438
  451    HZ3  LYS  56           HZ3      LYS  56  -4.773  15.696  -0.027
  452    H    VAL  57           H        VAL  57  -5.328   8.365  -2.215
  453    HA   VAL  57           HA       VAL  57  -7.264   7.889  -4.280
  454    HB   VAL  57           HB       VAL  57  -4.839   8.239  -4.644
  455   HG11  VAL  57          HG11      VAL  57  -3.237   6.596  -4.411
  456   HG12  VAL  57          HG12      VAL  57  -4.109   6.611  -2.883
  457   HG13  VAL  57          HG13      VAL  57  -4.430   5.312  -4.045
  458   HG21  VAL  57          HG21      VAL  57  -4.663   6.802  -6.602
  459   HG22  VAL  57          HG22      VAL  57  -5.943   5.737  -5.986
  460   HG23  VAL  57          HG23      VAL  57  -6.317   7.414  -6.448
  461    H    LEU  58           H        LEU  58  -5.966   5.665  -1.751
  462    HA   LEU  58           HA       LEU  58  -7.427   3.365  -2.787
  463    HB2  LEU  58           HB2      LEU  58  -6.157   3.913  -0.077
  464    HB3  LEU  58           HB3      LEU  58  -6.780   2.351  -0.603
  465    HG   LEU  58           HG       LEU  58  -4.469   3.836  -1.949
  466   HD11  LEU  58          HD11      LEU  58  -3.959   2.990   0.351
  467   HD12  LEU  58          HD12      LEU  58  -3.026   2.175  -0.923
  468   HD13  LEU  58          HD13      LEU  58  -4.422   1.366  -0.195
  469   HD21  LEU  58          HD21      LEU  58  -4.064   1.620  -3.055
  470   HD22  LEU  58          HD22      LEU  58  -5.514   2.458  -3.600
  471   HD23  LEU  58          HD23      LEU  58  -5.653   1.085  -2.470
  472    H    LYS  59           H        LYS  59  -8.207   5.874  -0.350
  473    HA   LYS  59           HA       LYS  59 -10.755   4.715   0.399
  474    HB2  LYS  59           HB2      LYS  59  -9.652   7.551   0.473
  475    HB3  LYS  59           HB3      LYS  59 -11.236   7.098   1.119
  476    HG2  LYS  59           HG2      LYS  59 -10.236   5.525   2.681
  477    HG3  LYS  59           HG3      LYS  59  -8.627   5.802   2.036
  478    HD2  LYS  59           HD2      LYS  59  -8.847   8.253   2.665
  479    HD3  LYS  59           HD3      LYS  59 -10.369   7.840   3.485
  480    HE2  LYS  59           HE2      LYS  59  -9.093   6.165   4.868
  481    HE3  LYS  59           HE3      LYS  59  -7.603   6.680   4.086
  482    HZ1  LYS  59           HZ1      LYS  59  -7.964   8.904   5.037
  483    HZ2  LYS  59           HZ2      LYS  59  -7.931   7.769   6.226
  484    HZ3  LYS  59           HZ3      LYS  59  -9.355   8.417   5.747
  485    H    LYS  60           H        LYS  60  -9.787   6.798  -2.310
  486    HA   LYS  60           HA       LYS  60 -12.501   7.254  -3.247
  487    HB2  LYS  60           HB2      LYS  60 -10.657   8.843  -3.575
  488    HB3  LYS  60           HB3      LYS  60  -9.786   7.672  -4.571
  489    HG2  LYS  60           HG2      LYS  60 -11.648   7.721  -6.234
  490    HG3  LYS  60           HG3      LYS  60 -12.515   8.881  -5.208
  491    HD2  LYS  60           HD2      LYS  60 -10.664  10.514  -5.486
  492    HD3  LYS  60           HD3      LYS  60  -9.746   9.322  -6.412
  493    HE2  LYS  60           HE2      LYS  60 -10.719  10.834  -7.986
  494    HE3  LYS  60           HE3      LYS  60 -11.541   9.282  -8.145
  495    HZ1  LYS  60           HZ1      LYS  60 -13.098  11.149  -8.146
  496    HZ2  LYS  60           HZ2      LYS  60 -12.604  11.633  -6.668
  497    HZ3  LYS  60           HZ3      LYS  60 -13.386  10.205  -6.846
  498    H    ASP  61           H        ASP  61  -9.835   5.476  -4.904
  499    HA   ASP  61           HA       ASP  61 -11.748   4.353  -6.786
  500    HB2  ASP  61           HB2      ASP  61  -8.733   4.138  -6.470
  501    HB3  ASP  61           HB3      ASP  61  -9.632   3.333  -7.752
  502    H    PHE  62           H        PHE  62  -9.881   2.960  -4.071
  503    HA   PHE  62           HA       PHE  62 -10.938   0.250  -4.672
  504    HB2  PHE  62           HB2      PHE  62  -8.901   1.255  -2.647
  505    HB3  PHE  62           HB3      PHE  62  -9.477  -0.383  -2.737
  506    HD1  PHE  62           HD2      PHE  62  -7.742   2.235  -4.830
  507    HD2  PHE  62           HD1      PHE  62  -8.418  -1.960  -4.067
  508    HE1  PHE  62           HE2      PHE  62  -5.897   1.653  -6.364
  509    HE2  PHE  62           HE1      PHE  62  -6.561  -2.526  -5.607
  510    HZ   PHE  62           HZ       PHE  62  -5.300  -0.739  -6.760
  511    H    ALA  63           H        ALA  63 -12.058   2.937  -3.063
  512    HA   ALA  63           HA       ALA  63 -13.628   3.384  -1.490
  513    HB1  ALA  63           HB1      ALA  63 -14.606   0.562  -2.084
  514    HB2  ALA  63           HB2      ALA  63 -15.552   1.904  -1.416
  515    HB3  ALA  63           HB3      ALA  63 -14.942   1.999  -3.076
  516    H    CYS  64           H        CYS  64 -11.093   2.399  -0.459
  517    HA   CYS  64           HA       CYS  64 -11.685   0.589   1.792
  518    HB2  CYS  64           HB2      CYS  64  -9.171   1.886   0.646
  519    HB3  CYS  64           HB3      CYS  64  -9.149   0.927   2.130
  520    HG   CYS  64           HG       CYS  64 -10.513  -0.100  -0.710
  521    H    ASN  65           H        ASN  65 -10.241   1.302   3.821
  522    HA   ASN  65           HA       ASN  65 -10.571   4.135   4.552
  523    HB2  ASN  65           HB2      ASN  65 -12.637   3.052   5.399
  524    HB3  ASN  65           HB3      ASN  65 -11.667   1.845   6.248
  525   HD21  ASN  65          HD21      ASN  65 -12.551   5.318   6.151
  526   HD22  ASN  65          HD22      ASN  65 -12.001   5.654   7.781
  527    H    GLY  66           H        GLY  66  -8.938   4.777   6.125
  528    HA2  GLY  66           HA2      GLY  66  -7.037   2.951   7.236
  529    HA3  GLY  66           HA3      GLY  66  -6.458   3.472   5.677
  530    H    ASN  67           H        ASN  67  -4.862   3.932   7.573
  531    HA   ASN  67           HA       ASN  67  -4.680   6.810   7.927
  532    HB2  ASN  67           HB2      ASN  67  -4.854   7.008  10.247
  533    HB3  ASN  67           HB3      ASN  67  -6.253   6.054   9.787
  534   HD21  ASN  67          HD22      ASN  67  -5.676   3.472   9.857
  535   HD22  ASN  67          HD21      ASN  67  -4.818   3.007  11.318
  536    H    ILE  68           H        ILE  68  -2.658   7.461   9.124
  537    HA   ILE  68           HA       ILE  68  -0.397   5.595   8.492
  538    HB   ILE  68           HB       ILE  68  -0.442   8.600   8.951
  539   HG12  ILE  68          HG12      ILE  68   0.319   7.201   6.361
  540   HG13  ILE  68          HG13      ILE  68  -1.360   7.573   6.696
  541   HG21  ILE  68          HG21      ILE  68   1.879   6.743   8.220
  542   HG22  ILE  68          HG22      ILE  68   1.958   8.515   8.202
  543   HG23  ILE  68          HG23      ILE  68   1.704   7.675   9.723
  544   HD11  ILE  68          HD11      ILE  68  -0.444   9.349   5.365
  545   HD12  ILE  68          HD12      ILE  68  -0.814   9.974   6.977
  546   HD13  ILE  68          HD13      ILE  68   0.870   9.626   6.525
  547    H    VAL  69           H        VAL  69   0.864   4.796  10.087
  548    HA   VAL  69           HA       VAL  69   0.634   5.859  12.890
  549    HB   VAL  69           HB       VAL  69   0.620   2.916  12.073
  550   HG11  VAL  69          HG11      VAL  69   0.271   2.475  14.514
  551   HG12  VAL  69          HG12      VAL  69   1.853   3.156  14.163
  552   HG13  VAL  69          HG13      VAL  69   0.576   4.195  14.843
  553   HG21  VAL  69          HG21      VAL  69  -1.570   4.624  13.327
  554   HG22  VAL  69          HG22      VAL  69  -1.601   3.851  11.722
  555   HG23  VAL  69          HG23      VAL  69  -1.622   2.857  13.180
  556    H    LYS  70           H        LYS  70   2.579   5.923  13.983
  557    HA   LYS  70           HA       LYS  70   5.006   4.838  12.600
  558    HB2  LYS  70           HB2      LYS  70   4.786   7.333  13.241
  559    HB3  LYS  70           HB3      LYS  70   5.038   6.810  14.902
  560    HG2  LYS  70           HG2      LYS  70   6.912   6.349  12.528
  561    HG3  LYS  70           HG3      LYS  70   7.103   7.583  13.775
  562    HD2  LYS  70           HD2      LYS  70   7.361   5.782  15.495
  563    HD3  LYS  70           HD3      LYS  70   7.281   4.571  14.193
  564    HE2  LYS  70           HE2      LYS  70   9.236   5.576  13.091
  565    HE3  LYS  70           HE3      LYS  70   9.345   6.794  14.368
  566    HZ1  LYS  70           HZ1      LYS  70  10.855   4.908  14.753
  567    HZ2  LYS  70           HZ2      LYS  70   9.595   3.864  14.834
  568    HZ3  LYS  70           HZ3      LYS  70   9.770   5.032  15.965
  569    H    ASP  71           H        ASP  71   5.273   2.784  13.186
  570    HA   ASP  71           HA       ASP  71   4.472   1.773  15.812
  571    HB2  ASP  71           HB2      ASP  71   4.084   0.615  13.585
  572    HB3  ASP  71           HB3      ASP  71   5.819   0.378  13.492
  573    HA   PRO  72           HA       PRO  72   8.585   2.027  17.659
  574    HB2  PRO  72           HB2      PRO  72   7.840  -0.611  18.933
  575    HB3  PRO  72           HB3      PRO  72   8.552   0.848  19.690
  576    HG2  PRO  72           HG2      PRO  72   5.915   0.314  19.965
  577    HG3  PRO  72           HG3      PRO  72   6.456   1.992  19.620
  578    HD2  PRO  72           HD2      PRO  72   5.349  -0.065  17.700
  579    HD3  PRO  72           HD3      PRO  72   4.963   1.679  17.850
  580    H    GLU  73           H        GLU  73   7.549  -1.053  16.141
  581    HA   GLU  73           HA       GLU  73  10.399  -1.872  15.709
  582    HB2  GLU  73           HB2      GLU  73   7.800  -3.457  15.575
  583    HB3  GLU  73           HB3      GLU  73   9.404  -4.101  15.259
  584    HG2  GLU  73           HG2      GLU  73   8.428  -2.972  17.919
  585    HG3  GLU  73           HG3      GLU  73   8.579  -4.672  17.504
  586    H    MET  74           H        MET  74   7.227  -1.673  13.998
  587    HA   MET  74           HA       MET  74   8.448  -2.241  11.408
  588    HB2  MET  74           HB2      MET  74   5.634  -1.424  12.230
  589    HB3  MET  74           HB3      MET  74   6.107  -1.660  10.558
  590    HG2  MET  74           HG2      MET  74   6.856  -3.985  11.140
  591    HG3  MET  74           HG3      MET  74   6.214  -3.741  12.768
  592    HE1  MET  74           HE1      MET  74   5.456  -6.157  10.848
  593    HE2  MET  74           HE2      MET  74   4.800  -5.950  12.487
  594    HE3  MET  74           HE3      MET  74   3.704  -6.265  11.125
  595    H    GLY  75           H        GLY  75   7.989   0.728  13.150
  596    HA2  GLY  75           HA2      GLY  75   8.715   2.878  12.572
  597    HA3  GLY  75           HA3      GLY  75   9.128   2.301  10.946
  598    H    GLU  76           H        GLU  76   8.177   4.277  10.127
  599    HA   GLU  76           HA       GLU  76   5.413   4.871  10.521
  600    HB2  GLU  76           HB2      GLU  76   7.433   6.392   9.874
  601    HB3  GLU  76           HB3      GLU  76   7.073   5.896   8.212
  602    HG2  GLU  76           HG2      GLU  76   4.742   6.679   8.532
  603    HG3  GLU  76           HG3      GLU  76   5.115   7.088  10.215
  604    H    ILE  77           H        ILE  77   3.732   3.889   9.696
  605    HA   ILE  77           HA       ILE  77   3.809   2.439   7.098
  606    HB   ILE  77           HB       ILE  77   2.553   0.577   8.201
  607   HG12  ILE  77          HG12      ILE  77   3.447   1.828  10.835
  608   HG13  ILE  77          HG13      ILE  77   1.786   1.733  10.241
  609   HG21  ILE  77          HG21      ILE  77   4.458  -0.627   8.893
  610   HG22  ILE  77          HG22      ILE  77   5.014   0.513   7.669
  611   HG23  ILE  77          HG23      ILE  77   5.332   0.849   9.382
  612   HD11  ILE  77          HD11      ILE  77   2.014  -0.788  10.267
  613   HD12  ILE  77          HD12      ILE  77   3.568  -0.570  11.100
  614   HD13  ILE  77          HD13      ILE  77   2.069   0.004  11.854
  615    H    ILE  78           H        ILE  78   1.840   2.111   6.082
  616    HA   ILE  78           HA       ILE  78  -0.503   3.694   7.084
  617    HB   ILE  78           HB       ILE  78   0.068   2.423   4.387
  618   HG12  ILE  78          HG12      ILE  78  -0.424   5.365   4.966
  619   HG13  ILE  78          HG13      ILE  78   1.197   4.674   5.042
  620   HG21  ILE  78          HG21      ILE  78  -2.303   2.150   4.787
  621   HG22  ILE  78          HG22      ILE  78  -2.448   3.815   5.385
  622   HG23  ILE  78          HG23      ILE  78  -2.118   3.487   3.672
  623   HD11  ILE  78          HD11      ILE  78  -0.589   4.616   2.583
  624   HD12  ILE  78          HD12      ILE  78   0.806   5.657   2.845
  625   HD13  ILE  78          HD13      ILE  78   1.036   3.902   2.721
  626    H    GLN  79           H        GLN  79  -2.231   2.678   7.881
  627    HA   GLN  79           HA       GLN  79  -2.488  -0.303   7.691
  628    HB2  GLN  79           HB2      GLN  79  -3.527   1.744   9.686
  629    HB3  GLN  79           HB3      GLN  79  -4.221   0.126   9.539
  630    HG2  GLN  79           HG2      GLN  79  -2.088  -0.905  10.110
  631    HG3  GLN  79           HG3      GLN  79  -1.299   0.676  10.216
  632   HE21  GLN  79          HE21      GLN  79  -1.510  -1.360  12.411
  633   HE22  GLN  79          HE22      GLN  79  -2.388  -0.509  13.664
  634    H    LEU  80           H        LEU  80  -4.043  -0.952   6.310
  635    HA   LEU  80           HA       LEU  80  -6.312   0.858   5.599
  636    HB2  LEU  80           HB2      LEU  80  -4.419  -0.054   3.863
  637    HB3  LEU  80           HB3      LEU  80  -5.447  -1.486   3.902
  638    HG   LEU  80           HG       LEU  80  -7.372  -0.094   3.138
  639   HD11  LEU  80          HD11      LEU  80  -6.876   2.162   2.161
  640   HD12  LEU  80          HD12      LEU  80  -5.225   2.074   2.812
  641   HD13  LEU  80          HD13      LEU  80  -6.612   2.159   3.906
  642   HD21  LEU  80          HD21      LEU  80  -5.980  -1.370   1.527
  643   HD22  LEU  80          HD22      LEU  80  -4.854  -0.031   1.414
  644   HD23  LEU  80          HD23      LEU  80  -6.509   0.142   0.787
  645    H    GLN  81           H        GLN  81  -8.431  -0.073   5.814
  646    HA   GLN  81           HA       GLN  81  -8.598  -2.380   7.581
  647    HB2  GLN  81           HB2      GLN  81 -10.749  -0.735   6.188
  648    HB3  GLN  81           HB3      GLN  81 -11.076  -2.122   7.224
  649    HG2  GLN  81           HG2      GLN  81  -9.637  -0.884   9.023
  650    HG3  GLN  81           HG3      GLN  81  -9.852   0.541   8.011
  651   HE21  GLN  81          HE21      GLN  81 -11.520   1.822   8.930
  652   HE22  GLN  81          HE22      GLN  81 -12.974   1.129   9.635
  653    H    GLY  82           H        GLY  82  -9.094  -4.448   7.236
  654    HA2  GLY  82           HA2      GLY  82  -9.827  -6.366   6.142
  655    HA3  GLY  82           HA3      GLY  82 -10.028  -5.471   4.628
  656    H    ASP  83           H        ASP  83  -9.046  -7.683   4.069
  657    HA   ASP  83           HA       ASP  83  -6.094  -7.761   4.142
  658    HB2  ASP  83           HB2      ASP  83  -6.338  -9.987   3.238
  659    HB3  ASP  83           HB3      ASP  83  -7.242  -9.786   4.728
  660    H    GLN  84           H        GLN  84  -5.663  -5.958   2.864
  661    HA   GLN  84           HA       GLN  84  -6.484  -5.990   0.004
  662    HB2  GLN  84           HB2      GLN  84  -5.341  -3.657   1.543
  663    HB3  GLN  84           HB3      GLN  84  -6.290  -3.629   0.060
  664    HG2  GLN  84           HG2      GLN  84  -7.265  -4.155   2.894
  665    HG3  GLN  84           HG3      GLN  84  -7.634  -2.779   1.886
  666   HE21  GLN  84          HE21      GLN  84  -9.729  -3.848   2.990
  667   HE22  GLN  84          HE22      GLN  84 -10.672  -4.797   1.825
  668    H    ARG  85           H        ARG  85  -4.100  -7.413   1.383
  669    HA   ARG  85           HA       ARG  85  -1.812  -6.044   0.707
  670    HB2  ARG  85           HB2      ARG  85  -0.586  -8.127   1.087
  671    HB3  ARG  85           HB3      ARG  85  -1.826  -7.840   2.301
  672    HG2  ARG  85           HG2      ARG  85  -3.350  -9.443   1.116
  673    HG3  ARG  85           HG3      ARG  85  -2.048  -9.787  -0.041
  674    HD2  ARG  85           HD2      ARG  85  -0.634 -10.646   1.766
  675    HD3  ARG  85           HD3      ARG  85  -1.861 -10.230   2.963
  676    HE   ARG  85           HE       ARG  85  -3.173 -11.839   1.098
  677   HH11  ARG  85          HH11      ARG  85  -0.450 -12.304   3.286
  678   HH12  ARG  85          HH12      ARG  85  -0.708 -14.030   3.389
  679   HH21  ARG  85          HH21      ARG  85  -3.477 -14.052   1.291
  680   HH22  ARG  85          HH22      ARG  85  -2.417 -14.994   2.291
  681    H    ALA  86           H        ALA  86  -3.494  -8.364  -1.380
  682    HA   ALA  86           HA       ALA  86  -1.631  -8.097  -3.614
  683    HB1  ALA  86           HB1      ALA  86  -3.388  -9.368  -4.808
  684    HB2  ALA  86           HB2      ALA  86  -3.016 -10.110  -3.239
  685    HB3  ALA  86           HB3      ALA  86  -4.498  -9.146  -3.438
  686    H    LYS  87           H        LYS  87  -4.712  -6.545  -2.682
  687    HA   LYS  87           HA       LYS  87  -5.140  -5.091  -5.112
  688    HB2  LYS  87           HB2      LYS  87  -6.042  -4.416  -2.270
  689    HB3  LYS  87           HB3      LYS  87  -6.686  -3.740  -3.756
  690    HG2  LYS  87           HG2      LYS  87  -7.288  -6.170  -4.429
  691    HG3  LYS  87           HG3      LYS  87  -6.947  -6.579  -2.736
  692    HD2  LYS  87           HD2      LYS  87  -8.601  -4.659  -2.132
  693    HD3  LYS  87           HD3      LYS  87  -9.027  -4.644  -3.835
  694    HE2  LYS  87           HE2      LYS  87 -10.665  -5.977  -2.745
  695    HE3  LYS  87           HE3      LYS  87  -9.651  -7.089  -3.667
  696    HZ1  LYS  87           HZ1      LYS  87  -9.321  -6.537  -0.764
  697    HZ2  LYS  87           HZ2      LYS  87  -8.535  -7.698  -1.612
  698    HZ3  LYS  87           HZ3      LYS  87 -10.144  -7.828  -1.358
  699    H    VAL  88           H        VAL  88  -3.522  -4.103  -2.075
  700    HA   VAL  88           HA       VAL  88  -2.762  -1.506  -3.095
  701    HB   VAL  88           HB       VAL  88  -1.623  -3.087  -0.761
  702   HG11  VAL  88          HG11      VAL  88   0.048  -1.412  -1.458
  703   HG12  VAL  88          HG12      VAL  88  -1.210  -0.157  -1.543
  704   HG13  VAL  88          HG13      VAL  88  -0.748  -0.872   0.013
  705   HG21  VAL  88          HG21      VAL  88  -2.992  -1.527   0.601
  706   HG22  VAL  88          HG22      VAL  88  -3.613  -0.770  -0.887
  707   HG23  VAL  88          HG23      VAL  88  -4.021  -2.448  -0.501
  708    H    CYS  89           H        CYS  89  -1.048  -4.700  -3.110
  709    HA   CYS  89           HA       CYS  89   1.397  -3.803  -4.260
  710    HB2  CYS  89           HB2      CYS  89   0.889  -6.097  -3.390
  711    HB3  CYS  89           HB3      CYS  89  -0.136  -6.397  -4.801
  712    HG   CYS  89           HG       CYS  89   1.749  -5.947  -6.612
  713    H    GLU  90           H        GLU  90  -1.644  -4.777  -5.915
  714    HA   GLU  90           HA       GLU  90  -0.816  -4.136  -8.534
  715    HB2  GLU  90           HB2      GLU  90  -2.833  -5.469  -7.818
  716    HB3  GLU  90           HB3      GLU  90  -3.651  -3.943  -7.441
  717    HG2  GLU  90           HG2      GLU  90  -3.374  -3.219  -9.792
  718    HG3  GLU  90           HG3      GLU  90  -2.483  -4.703 -10.149
  719    H    PHE  91           H        PHE  91  -2.288  -1.945  -6.037
  720    HA   PHE  91           HA       PHE  91  -2.595   0.340  -7.725
  721    HB2  PHE  91           HB2      PHE  91  -3.659   0.391  -5.600
  722    HB3  PHE  91           HB3      PHE  91  -2.210  -0.079  -4.748
  723    HD1  PHE  91           HD1      PHE  91  -3.568   2.725  -6.847
  724    HD2  PHE  91           HD2      PHE  91  -0.832   1.518  -3.743
  725    HE1  PHE  91           HE1      PHE  91  -2.891   5.092  -6.517
  726    HE2  PHE  91           HE2      PHE  91  -0.185   3.885  -3.389
  727    HZ   PHE  91           HZ       PHE  91  -1.219   5.683  -4.783
  728    H    MET  92           H        MET  92   0.151  -0.678  -5.676
  729    HA   MET  92           HA       MET  92   1.873   1.538  -6.157
  730    HB2  MET  92           HB2      MET  92   2.477  -1.372  -5.522
  731    HB3  MET  92           HB3      MET  92   3.662  -0.079  -5.394
  732    HG2  MET  92           HG2      MET  92   1.041   0.082  -3.885
  733    HG3  MET  92           HG3      MET  92   2.344  -0.912  -3.278
  734    HE1  MET  92           HE1      MET  92   0.635   1.677  -2.061
  735    HE2  MET  92           HE2      MET  92   1.625   0.511  -1.160
  736    HE3  MET  92           HE3      MET  92   1.922   2.255  -0.983
  737    H    ILE  93           H        ILE  93   1.576  -1.581  -7.886
  738    HA   ILE  93           HA       ILE  93   3.621  -0.947  -9.854
  739    HB   ILE  93           HB       ILE  93   1.420  -3.045  -9.879
  740   HG12  ILE  93          HG12      ILE  93   4.373  -3.485  -9.235
  741   HG13  ILE  93          HG13      ILE  93   3.204  -3.131  -7.979
  742   HG21  ILE  93          HG21      ILE  93   3.964  -2.841 -11.562
  743   HG22  ILE  93          HG22      ILE  93   2.846  -4.215 -11.567
  744   HG23  ILE  93          HG23      ILE  93   2.299  -2.655 -12.165
  745   HD11  ILE  93          HD11      ILE  93   3.483  -5.502  -8.074
  746   HD12  ILE  93          HD12      ILE  93   1.852  -5.118  -8.662
  747   HD13  ILE  93          HD13      ILE  93   3.141  -5.554  -9.809
  748    H    SER  94           H        SER  94   0.050  -0.766  -9.965
  749    HA   SER  94           HA       SER  94  -0.033  -0.012 -12.747
  750    HB2  SER  94           HB2      SER  94  -1.846  -1.193 -11.643
  751    HB3  SER  94           HB3      SER  94  -2.088   0.148 -10.511
  752    HG   SER  94           HG       SER  94  -3.529  -0.007 -12.446
  753    H    GLN  95           H        GLN  95  -0.411   1.969  -9.753
  754    HA   GLN  95           HA       GLN  95  -0.860   4.374 -11.460
  755    HB2  GLN  95           HB2      GLN  95  -1.322   3.891  -8.491
  756    HB3  GLN  95           HB3      GLN  95  -1.759   5.347  -9.380
  757    HG2  GLN  95           HG2      GLN  95  -2.933   2.564  -9.832
  758    HG3  GLN  95           HG3      GLN  95  -3.717   3.911  -9.023
  759   HE21  GLN  95          HE21      GLN  95  -3.114   2.450 -12.166
  760   HE22  GLN  95          HE22      GLN  95  -3.880   3.740 -13.077
  761    H    LEU  96           H        LEU  96   1.368   3.262  -8.851
  762    HA   LEU  96           HA       LEU  96   2.791   5.863  -8.984
  763    HB2  LEU  96           HB2      LEU  96   3.484   3.418  -7.322
  764    HB3  LEU  96           HB3      LEU  96   4.110   5.040  -7.151
  765    HG   LEU  96           HG       LEU  96   1.252   4.163  -6.558
  766   HD11  LEU  96          HD11      LEU  96   1.855   4.805  -4.242
  767   HD12  LEU  96          HD12      LEU  96   3.506   5.182  -4.776
  768   HD13  LEU  96          HD13      LEU  96   2.894   3.521  -4.870
  769   HD21  LEU  96          HD21      LEU  96   1.123   6.434  -7.457
  770   HD22  LEU  96          HD22      LEU  96   2.479   6.955  -6.434
  771   HD23  LEU  96          HD23      LEU  96   0.926   6.500  -5.705
  772    H    GLY  97           H        GLY  97   3.011   2.789 -10.517
  773    HA2  GLY  97           HA2      GLY  97   4.428   2.110 -12.228
  774    HA3  GLY  97           HA3      GLY  97   5.378   3.605 -12.035
  775    H    LEU  98           H        LEU  98   4.880   1.713  -9.154
  776    HA   LEU  98           HA       LEU  98   7.727   1.291  -8.838
  777    HB2  LEU  98           HB2      LEU  98   5.275   0.435  -7.269
  778    HB3  LEU  98           HB3      LEU  98   6.890  -0.040  -6.783
  779    HG   LEU  98           HG       LEU  98   6.229   2.902  -7.239
  780   HD11  LEU  98          HD11      LEU  98   5.780   3.087  -4.810
  781   HD12  LEU  98          HD12      LEU  98   5.807   1.312  -4.685
  782   HD13  LEU  98          HD13      LEU  98   4.570   2.113  -5.660
  783   HD21  LEU  98          HD21      LEU  98   8.090   3.150  -5.552
  784   HD22  LEU  98          HD22      LEU  98   8.608   2.381  -7.059
  785   HD23  LEU  98          HD23      LEU  98   8.332   1.399  -5.606
  786    H    GLN  99           H        GLN  99   8.923  -0.622  -9.096
  787    HA   GLN  99           HA       GLN  99   7.753  -2.423 -11.092
  788    HB2  GLN  99           HB2      GLN  99  10.525  -2.459  -9.820
  789    HB3  GLN  99           HB3      GLN  99  10.002  -3.394 -11.218
  790    HG2  GLN  99           HG2      GLN  99  10.188  -0.345 -11.096
  791    HG3  GLN  99           HG3      GLN  99  11.326  -1.425 -11.882
  792   HE21  GLN  99          HE21      GLN  99   8.262   0.290 -12.302
  793   HE22  GLN  99          HE22      GLN  99   7.956  -0.367 -13.898
  794    H    LYS 100           H        LYS 100   7.171  -4.556 -10.867
  795    HA   LYS 100           HA       LYS 100   6.040  -5.388  -8.471
  796    HB2  LYS 100           HB2      LYS 100   5.478  -6.180 -10.688
  797    HB3  LYS 100           HB3      LYS 100   6.964  -7.151 -10.736
  798    HG2  LYS 100           HG2      LYS 100   6.228  -8.522  -8.886
  799    HG3  LYS 100           HG3      LYS 100   4.889  -7.420  -8.496
  800    HD2  LYS 100           HD2      LYS 100   3.749  -7.944 -10.561
  801    HD3  LYS 100           HD3      LYS 100   5.166  -8.842 -11.136
  802    HE2  LYS 100           HE2      LYS 100   4.863 -10.487  -9.275
  803    HE3  LYS 100           HE3      LYS 100   3.455  -9.581  -8.707
  804    HZ1  LYS 100           HZ1      LYS 100   2.803 -11.474 -10.076
  805    HZ2  LYS 100           HZ2      LYS 100   3.666 -10.924 -11.350
  806    HZ3  LYS 100           HZ3      LYS 100   2.361 -10.090 -10.823
  807    H    LYS 101           H        LYS 101   9.296  -6.137  -9.653
  808    HA   LYS 101           HA       LYS 101  10.143  -8.017  -7.720
  809    HB2  LYS 101           HB2      LYS 101  12.399  -7.416  -8.420
  810    HB3  LYS 101           HB3      LYS 101  11.318  -7.575  -9.805
  811    HG2  LYS 101           HG2      LYS 101  11.144  -5.082  -9.929
  812    HG3  LYS 101           HG3      LYS 101  12.261  -4.946  -8.556
  813    HD2  LYS 101           HD2      LYS 101  14.010  -6.119  -9.860
  814    HD3  LYS 101           HD3      LYS 101  12.888  -6.280 -11.229
  815    HE2  LYS 101           HE2      LYS 101  12.708  -3.797 -11.361
  816    HE3  LYS 101           HE3      LYS 101  13.846  -3.644 -10.014
  817    HZ1  LYS 101           HZ1      LYS 101  15.525  -4.739 -11.399
  818    HZ2  LYS 101           HZ2      LYS 101  14.960  -3.409 -12.163
  819    HZ3  LYS 101           HZ3      LYS 101  14.470  -4.891 -12.639
  820    H    ASN 102           H        ASN 102   9.719  -4.543  -7.227
  821    HA   ASN 102           HA       ASN 102  11.404  -4.444  -4.831
  822    HB2  ASN 102           HB2      ASN 102   9.236  -2.535  -5.822
  823    HB3  ASN 102           HB3      ASN 102  10.362  -2.227  -4.505
  824   HD21  ASN 102          HD21      ASN 102  12.823  -2.546  -5.201
  825   HD22  ASN 102          HD22      ASN 102  13.202  -1.772  -6.737
  826    H    ILE 103           H        ILE 103   8.186  -5.711  -5.393
  827    HA   ILE 103           HA       ILE 103   7.344  -4.957  -2.625
  828    HB   ILE 103           HB       ILE 103   5.550  -5.925  -4.859
  829   HG12  ILE 103          HG12      ILE 103   6.291  -3.068  -4.063
  830   HG13  ILE 103          HG13      ILE 103   6.626  -3.850  -5.610
  831   HG21  ILE 103          HG21      ILE 103   5.031  -4.477  -2.209
  832   HG22  ILE 103          HG22      ILE 103   3.791  -4.948  -3.385
  833   HG23  ILE 103          HG23      ILE 103   4.687  -6.188  -2.536
  834   HD11  ILE 103          HD11      ILE 103   4.795  -2.399  -5.958
  835   HD12  ILE 103          HD12      ILE 103   4.156  -4.055  -5.992
  836   HD13  ILE 103          HD13      ILE 103   3.913  -3.028  -4.555
  837    H    LYS 104           H        LYS 104   7.238  -6.312  -1.083
  838    HA   LYS 104           HA       LYS 104   7.036  -9.259  -1.540
  839    HB2  LYS 104           HB2      LYS 104   7.864  -7.635   0.907
  840    HB3  LYS 104           HB3      LYS 104   7.713  -9.388   0.852
  841    HG2  LYS 104           HG2      LYS 104   9.780  -7.728  -0.606
  842    HG3  LYS 104           HG3      LYS 104  10.015  -8.793   0.786
  843    HD2  LYS 104           HD2      LYS 104   9.051 -10.673  -0.776
  844    HD3  LYS 104           HD3      LYS 104   9.414  -9.545  -2.085
  845    HE2  LYS 104           HE2      LYS 104  11.343 -10.826  -0.098
  846    HE3  LYS 104           HE3      LYS 104  11.252 -11.097  -1.842
  847    HZ1  LYS 104           HZ1      LYS 104  11.847  -8.652  -2.030
  848    HZ2  LYS 104           HZ2      LYS 104  13.036  -9.640  -1.522
  849    HZ3  LYS 104           HZ3      LYS 104  12.257  -8.702  -0.432
  850    H    ILE 105           H        ILE 105   5.245 -10.308  -0.890
  851    HA   ILE 105           HA       ILE 105   3.071  -8.835   0.581
  852    HB   ILE 105           HB       ILE 105   2.903 -11.112  -1.440
  853   HG12  ILE 105          HG12      ILE 105   1.882  -8.227  -1.524
  854   HG13  ILE 105          HG13      ILE 105   3.243  -8.863  -2.445
  855   HG21  ILE 105          HG21      ILE 105   0.673  -9.771   0.136
  856   HG22  ILE 105          HG22      ILE 105   0.459 -11.034  -1.097
  857   HG23  ILE 105          HG23      ILE 105   1.260 -11.428   0.408
  858   HD11  ILE 105          HD11      ILE 105   1.383  -8.733  -3.929
  859   HD12  ILE 105          HD12      ILE 105   1.668 -10.451  -3.604
  860   HD13  ILE 105          HD13      ILE 105   0.317  -9.592  -2.816
  861    H    HIS 106           H        HIS 106   2.623  -9.533   2.558
  862    HA   HIS 106           HA       HIS 106   3.691 -12.187   3.485
  863    HB2  HIS 106           HB2      HIS 106   3.586  -9.558   4.989
  864    HB3  HIS 106           HB3      HIS 106   4.191 -11.077   5.621
  865    HD2  HIS 106           HD2      HIS 106   5.204  -8.118   3.457
  866    HE1  HIS 106           HE1      HIS 106   8.661 -10.559   3.910
  867    HE2  HIS 106           HE2      HIS 106   7.816  -8.285   3.148
  868    H    GLY 107           H        GLY 107   2.726 -12.887   5.577
  869    HA2  GLY 107           HA2      GLY 107  -0.255 -12.589   5.694
  870    HA3  GLY 107           HA3      GLY 107   0.730 -13.859   6.450
  871    H    PHE 108           H        PHE 108   0.149 -13.641   8.515
  872    HA   PHE 108           HA       PHE 108   1.054 -11.290  10.037
  873    HB2  PHE 108           HB2      PHE 108  -0.996 -11.099  11.296
  874    HB3  PHE 108           HB3      PHE 108  -1.264 -10.766   9.607
  875    HD1  PHE 108           HD1      PHE 108  -2.560 -12.347   8.167
  876    HD2  PHE 108           HD2      PHE 108  -2.100 -12.984  12.408
  877    HE1  PHE 108           HE1      PHE 108  -4.497 -13.895   8.145
  878    HE2  PHE 108           HE2      PHE 108  -4.044 -14.530  12.381
  879    HZ   PHE 108           HZ       PHE 108  -5.247 -14.985  10.250
  Start of MODEL    3
    1    H1   MET   1           H        MET   1   0.569  -9.885 -21.015
    2    H2   MET   1           H2       MET   1   2.150 -10.175 -21.215
    3    H3   MET   1           H3       MET   1   1.537  -8.743 -21.664
    4    HA   MET   1           HA       MET   1   2.760  -8.503 -19.560
    5    HB2  MET   1           HB2      MET   1   0.746  -7.105 -20.117
    6    HB3  MET   1           HB3      MET   1  -0.228  -8.158 -19.107
    7    HG2  MET   1           HG2      MET   1   2.222  -6.590 -18.172
    8    HG3  MET   1           HG3      MET   1   0.587  -5.979 -18.091
    9    HE1  MET   1           HE1      MET   1  -1.131  -8.070 -15.318
   10    HE2  MET   1           HE2      MET   1  -1.289  -6.781 -16.525
   11    HE3  MET   1           HE3      MET   1  -1.164  -8.479 -17.040
   12    H    SER   2           H        SER   2   3.437  -9.387 -17.681
   13    HA   SER   2           HA       SER   2   1.847 -11.235 -16.073
   14    HB2  SER   2           HB2      SER   2   3.453 -13.136 -16.295
   15    HB3  SER   2           HB3      SER   2   2.481 -12.839 -17.739
   16    HG   SER   2           HG       SER   2   4.670 -13.192 -18.295
   17    H    ILE   3           H        ILE   3   5.350 -10.789 -16.641
   18    HA   ILE   3           HA       ILE   3   5.775  -9.061 -14.352
   19    HB   ILE   3           HB       ILE   3   5.475 -11.349 -13.312
   20   HG12  ILE   3          HG12      ILE   3   8.258 -10.234 -12.843
   21   HG13  ILE   3          HG13      ILE   3   6.777  -9.445 -12.289
   22   HG21  ILE   3          HG21      ILE   3   6.579 -12.664 -15.139
   23   HG22  ILE   3          HG22      ILE   3   8.151 -12.029 -14.606
   24   HG23  ILE   3          HG23      ILE   3   7.183 -13.053 -13.529
   25   HD11  ILE   3          HD11      ILE   3   6.195 -11.458 -10.958
   26   HD12  ILE   3          HD12      ILE   3   7.725 -12.218 -11.460
   27   HD13  ILE   3          HD13      ILE   3   7.747 -10.741 -10.484
   28    H    GLU   4           H        GLU   4   8.148  -8.495 -14.145
   29    HA   GLU   4           HA       GLU   4   9.371  -8.032 -16.705
   30    HB2  GLU   4           HB2      GLU   4   9.631  -6.596 -14.673
   31    HB3  GLU   4           HB3      GLU   4  10.608  -7.865 -13.925
   32    HG2  GLU   4           HG2      GLU   4  12.226  -7.683 -15.847
   33    HG3  GLU   4           HG3      GLU   4  11.253  -6.361 -16.503
   34    H    ASN   5           H        ASN   5  10.543  -9.423 -17.909
   35    HA   ASN   5           HA       ASN   5  10.877 -12.114 -17.190
   36    HB2  ASN   5           HB2      ASN   5  12.227 -10.515 -19.409
   37    HB3  ASN   5           HB3      ASN   5  12.155 -12.275 -19.327
   38   HD21  ASN   5          HD21      ASN   5   9.948 -13.316 -19.369
   39   HD22  ASN   5          HD22      ASN   5   8.676 -12.473 -20.233
   40    H    LEU   6           H        LEU   6  12.991  -9.537 -16.378
   41    HA   LEU   6           HA       LEU   6  15.440 -11.158 -16.124
   42    HB2  LEU   6           HB2      LEU   6  14.835  -8.288 -15.307
   43    HB3  LEU   6           HB3      LEU   6  16.425  -9.035 -15.355
   44    HG   LEU   6           HG       LEU   6  14.651  -8.468 -17.772
   45   HD11  LEU   6          HD11      LEU   6  16.365  -6.796 -18.327
   46   HD12  LEU   6          HD12      LEU   6  17.258  -7.191 -16.842
   47   HD13  LEU   6          HD13      LEU   6  15.642  -6.455 -16.746
   48   HD21  LEU   6          HD21      LEU   6  16.649  -9.110 -19.118
   49   HD22  LEU   6          HD22      LEU   6  15.991 -10.478 -18.219
   50   HD23  LEU   6          HD23      LEU   6  17.461  -9.660 -17.636
   51    H    LYS   7           H        LYS   7  12.694 -10.798 -14.133
   52    HA   LYS   7           HA       LYS   7  13.883 -10.594 -11.567
   53    HB2  LYS   7           HB2      LYS   7  11.768 -11.288 -10.692
   54    HB3  LYS   7           HB3      LYS   7  11.487 -10.275 -12.097
   55    HG2  LYS   7           HG2      LYS   7   9.984 -11.901 -12.607
   56    HG3  LYS   7           HG3      LYS   7  11.383 -12.652 -13.360
   57    HD2  LYS   7           HD2      LYS   7  11.695 -13.885 -11.051
   58    HD3  LYS   7           HD3      LYS   7  10.102 -13.250 -10.661
   59    HE2  LYS   7           HE2      LYS   7   9.774 -15.466 -11.483
   60    HE3  LYS   7           HE3      LYS   7   9.199 -14.367 -12.741
   61    HZ1  LYS   7           HZ1      LYS   7  10.579 -16.156 -13.651
   62    HZ2  LYS   7           HZ2      LYS   7  11.852 -15.716 -12.726
   63    HZ3  LYS   7           HZ3      LYS   7  11.319 -14.721 -13.905
   64    H    SER   8           H        SER   8  14.726 -12.011 -10.092
   65    HA   SER   8           HA       SER   8  15.501 -14.712 -11.105
   66    HB2  SER   8           HB2      SER   8  17.451 -14.417  -9.601
   67    HB3  SER   8           HB3      SER   8  17.350 -13.197 -10.877
   68    HG   SER   8           HG       SER   8  17.848 -12.273  -8.816
   69    H    PHE   9           H        PHE   9  15.907 -16.381  -9.543
   70    HA   PHE   9           HA       PHE   9  14.968 -16.315  -6.841
   71    HB2  PHE   9           HB2      PHE   9  12.756 -16.503  -7.941
   72    HB3  PHE   9           HB3      PHE   9  13.317 -17.894  -8.860
   73    HD1  PHE   9           HD1      PHE   9  12.784 -16.662  -5.346
   74    HD2  PHE   9           HD2      PHE   9  13.088 -20.090  -7.949
   75    HE1  PHE   9           HE1      PHE   9  12.135 -18.152  -3.467
   76    HE2  PHE   9           HE2      PHE   9  12.436 -21.573  -6.069
   77    HZ   PHE   9           HZ       PHE   9  11.964 -20.608  -3.824
   78    H    ASP  10           H        ASP  10  15.527 -18.246  -5.709
   79    HA   ASP  10           HA       ASP  10  16.789 -20.502  -6.938
   80    HB2  ASP  10           HB2      ASP  10  19.081 -20.147  -6.237
   81    HB3  ASP  10           HB3      ASP  10  18.602 -18.837  -7.287
   82    HA   PRO  11           HA       PRO  11  15.717 -22.425  -3.220
   83    HB2  PRO  11           HB2      PRO  11  18.454 -23.640  -2.908
   84    HB3  PRO  11           HB3      PRO  11  16.855 -24.442  -2.882
   85    HG2  PRO  11           HG2      PRO  11  18.396 -24.566  -5.102
   86    HG3  PRO  11           HG3      PRO  11  16.635 -24.246  -5.255
   87    HD2  PRO  11           HD2      PRO  11  18.919 -22.259  -5.307
   88    HD3  PRO  11           HD3      PRO  11  17.515 -22.395  -6.405
   89    H    PHE  12           H        PHE  12  18.401 -20.284  -2.900
   90    HA   PHE  12           HA       PHE  12  18.467 -20.471   0.066
   91    HB2  PHE  12           HB2      PHE  12  20.452 -19.291  -1.916
   92    HB3  PHE  12           HB3      PHE  12  20.657 -19.376  -0.181
   93    HD1  PHE  12           HD2      PHE  12  20.160 -21.594  -3.205
   94    HD2  PHE  12           HD1      PHE  12  21.691 -21.251   0.817
   95    HE1  PHE  12           HE2      PHE  12  21.268 -23.797  -3.436
   96    HE2  PHE  12           HE1      PHE  12  22.783 -23.466   0.584
   97    HZ   PHE  12           HZ       PHE  12  22.578 -24.743  -1.543
   98    H    ALA  13           H        ALA  13  16.766 -18.769  -2.134
   99    HA   ALA  13           HA       ALA  13  17.068 -16.039  -1.271
  100    HB1  ALA  13           HB1      ALA  13  14.751 -17.476  -2.648
  101    HB2  ALA  13           HB2      ALA  13  15.004 -15.719  -2.582
  102    HB3  ALA  13           HB3      ALA  13  16.152 -16.740  -3.465
  103    H    ASP  14           H        ASP  14  15.664 -18.669   0.387
  104    HA   ASP  14           HA       ASP  14  13.530 -17.400   1.818
  105    HB2  ASP  14           HB2      ASP  14  13.848 -19.844   1.613
  106    HB3  ASP  14           HB3      ASP  14  15.322 -19.740   2.577
  107    H    THR  15           H        THR  15  13.454 -16.356   3.790
  108    HA   THR  15           HA       THR  15  15.748 -14.724   4.424
  109    HB   THR  15           HB       THR  15  14.190 -13.766   6.187
  110    HG1  THR  15           HG1      THR  15  12.875 -15.642   6.397
  111   HG21  THR  15          HG21      THR  15  13.139 -13.885   3.323
  112   HG22  THR  15          HG22      THR  15  14.393 -12.781   3.928
  113   HG23  THR  15          HG23      THR  15  12.737 -12.662   4.547
  114    H    GLY  16           H        GLY  16  16.961 -14.544   6.212
  115    HA2  GLY  16           HA2      GLY  16  17.196 -16.890   8.033
  116    HA3  GLY  16           HA3      GLY  16  18.374 -15.588   7.791
  117    H    ASP  17           H        ASP  17  18.481 -15.605  10.117
  118    HA   ASP  17           HA       ASP  17  16.295 -14.727  11.787
  119    HB2  ASP  17           HB2      ASP  17  18.254 -16.086  12.519
  120    HB3  ASP  17           HB3      ASP  17  19.301 -14.691  12.259
  121    H    ASP  18           H        ASP  18  18.463 -13.002   9.724
  122    HA   ASP  18           HA       ASP  18  17.239 -10.438  10.360
  123    HB2  ASP  18           HB2      ASP  18  19.121 -10.566  12.002
  124    HB3  ASP  18           HB3      ASP  18  20.248 -10.800  10.666
  125    H    GLU  19           H        GLU  19  17.727  -8.811   8.741
  126    HA   GLU  19           HA       GLU  19  18.027 -10.039   6.059
  127    HB2  GLU  19           HB2      GLU  19  17.068  -7.294   6.950
  128    HB3  GLU  19           HB3      GLU  19  17.205  -7.823   5.266
  129    HG2  GLU  19           HG2      GLU  19  15.615  -9.677   5.709
  130    HG3  GLU  19           HG3      GLU  19  15.447  -9.141   7.384
  131    H    THR  20           H        THR  20  19.977 -10.125   5.183
  132    HA   THR  20           HA       THR  20  22.136  -8.246   5.888
  133    HB   THR  20           HB       THR  20  23.496  -9.804   4.461
  134    HG1  THR  20           HG1      THR  20  22.464 -11.720   3.808
  135   HG21  THR  20          HG21      THR  20  23.279 -10.149   6.916
  136   HG22  THR  20          HG22      THR  20  23.462 -11.673   6.034
  137   HG23  THR  20          HG23      THR  20  21.864 -11.191   6.641
  138    H    ALA  21           H        ALA  21  19.856  -8.550   3.303
  139    HA   ALA  21           HA       ALA  21  21.478  -7.430   1.209
  140    HB1  ALA  21           HB1      ALA  21  19.533  -8.890   0.793
  141    HB2  ALA  21           HB2      ALA  21  18.446  -7.657   1.478
  142    HB3  ALA  21           HB3      ALA  21  19.339  -7.326  -0.021
  143    H    THR  22           H        THR  22  21.709  -5.412   0.448
  144    HA   THR  22           HA       THR  22  21.101  -3.118   2.135
  145    HB   THR  22           HB       THR  22  22.345  -3.181  -0.644
  146    HG1  THR  22           HG1      THR  22  24.300  -3.383   0.496
  147   HG21  THR  22          HG21      THR  22  23.595  -1.185   0.212
  148   HG22  THR  22          HG22      THR  22  22.604  -1.222   1.690
  149   HG23  THR  22          HG23      THR  22  21.858  -0.895   0.109
  150    H    SER  23           H        SER  23  19.729  -4.454  -0.825
  151    HA   SER  23           HA       SER  23  18.573  -2.167  -1.925
  152    HB2  SER  23           HB2      SER  23  17.527  -5.014  -2.099
  153    HB3  SER  23           HB3      SER  23  17.224  -3.696  -3.246
  154    HG   SER  23           HG       SER  23  18.924  -5.090  -3.959
  155    H    ASN  24           H        ASN  24  16.646  -1.101  -1.836
  156    HA   ASN  24           HA       ASN  24  14.891  -1.403   0.457
  157    HB2  ASN  24           HB2      ASN  24  15.324   0.798  -0.477
  158    HB3  ASN  24           HB3      ASN  24  14.748   0.291  -2.069
  159   HD21  ASN  24          HD21      ASN  24  13.629   0.754   1.349
  160   HD22  ASN  24          HD22      ASN  24  11.956   1.050   0.889
  161    H    TYR  25           H        TYR  25  12.827  -2.159   0.552
  162    HA   TYR  25           HA       TYR  25  11.438  -3.167  -1.860
  163    HB2  TYR  25           HB2      TYR  25  11.893  -4.751   0.700
  164    HB3  TYR  25           HB3      TYR  25  10.601  -5.106  -0.432
  165    HD1  TYR  25           HD2      TYR  25  11.092  -5.866  -2.750
  166    HD2  TYR  25           HD1      TYR  25  14.168  -5.452   0.240
  167    HE1  TYR  25           HE2      TYR  25  12.618  -7.279  -4.125
  168    HE2  TYR  25           HE1      TYR  25  15.693  -6.872  -1.123
  169    HH   TYR  25           HH       TYR  25  14.702  -8.240  -4.294
  170    H    ILE  26           H        ILE  26   9.222  -3.044  -1.735
  171    HA   ILE  26           HA       ILE  26   8.010  -1.474   0.515
  172    HB   ILE  26           HB       ILE  26   6.757  -2.386  -2.107
  173   HG12  ILE  26          HG12      ILE  26   8.199   0.175  -1.366
  174   HG13  ILE  26          HG13      ILE  26   8.503  -0.897  -2.724
  175   HG21  ILE  26          HG21      ILE  26   5.165  -1.979  -0.215
  176   HG22  ILE  26          HG22      ILE  26   5.832  -0.345  -0.025
  177   HG23  ILE  26          HG23      ILE  26   4.955  -0.807  -1.504
  178   HD11  ILE  26          HD11      ILE  26   7.478   1.090  -3.563
  179   HD12  ILE  26          HD12      ILE  26   6.295  -0.235  -3.707
  180   HD13  ILE  26          HD13      ILE  26   6.137   0.982  -2.416
  181    H    HIS  27           H        HIS  27   7.083  -2.580   2.127
  182    HA   HIS  27           HA       HIS  27   6.538  -5.507   1.756
  183    HB2  HIS  27           HB2      HIS  27   7.212  -3.851   4.209
  184    HB3  HIS  27           HB3      HIS  27   6.694  -5.534   4.255
  185    HD2  HIS  27           HD2      HIS  27   9.685  -3.324   3.250
  186    HE1  HIS  27           HE1      HIS  27  11.072  -7.345   3.351
  187    HE2  HIS  27           HE2      HIS  27  11.778  -4.911   3.128
  188    H    ILE  28           H        ILE  28   4.447  -6.015   1.540
  189    HA   ILE  28           HA       ILE  28   2.372  -4.318   2.920
  190    HB   ILE  28           HB       ILE  28   1.920  -6.082   0.491
  191   HG12  ILE  28          HG12      ILE  28   2.225  -3.037   0.549
  192   HG13  ILE  28          HG13      ILE  28   3.472  -4.138  -0.041
  193   HG21  ILE  28          HG21      ILE  28  -0.236  -4.786   0.432
  194   HG22  ILE  28          HG22      ILE  28  -0.061  -5.658   1.949
  195   HG23  ILE  28          HG23      ILE  28   0.245  -3.914   1.887
  196   HD11  ILE  28          HD11      ILE  28   2.290  -3.266  -1.926
  197   HD12  ILE  28          HD12      ILE  28   1.943  -5.003  -1.770
  198   HD13  ILE  28          HD13      ILE  28   0.735  -3.800  -1.274
  199    H    ARG  29           H        ARG  29   2.016  -5.176   4.764
  200    HA   ARG  29           HA       ARG  29   2.043  -8.131   5.216
  201    HB2  ARG  29           HB2      ARG  29   2.696  -5.764   7.036
  202    HB3  ARG  29           HB3      ARG  29   2.722  -7.460   7.539
  203    HG2  ARG  29           HG2      ARG  29   4.542  -7.935   5.979
  204    HG3  ARG  29           HG3      ARG  29   4.498  -6.279   5.352
  205    HD2  ARG  29           HD2      ARG  29   5.146  -5.429   7.575
  206    HD3  ARG  29           HD3      ARG  29   5.209  -7.097   8.194
  207    HE   ARG  29           HE       ARG  29   6.828  -7.100   5.929
  208   HH11  ARG  29          HH11      ARG  29   6.955  -5.517   9.082
  209   HH12  ARG  29          HH12      ARG  29   8.676  -5.284   8.996
  210   HH21  ARG  29          HH21      ARG  29   9.028  -6.676   5.829
  211   HH22  ARG  29          HH22      ARG  29   9.832  -5.962   7.191
  212    H    ILE  30           H        ILE  30   0.699  -8.735   7.229
  213    HA   ILE  30           HA       ILE  30  -1.721  -7.001   7.567
  214    HB   ILE  30           HB       ILE  30  -1.653 -10.031   7.433
  215   HG12  ILE  30          HG12      ILE  30  -3.106  -7.986   5.690
  216   HG13  ILE  30          HG13      ILE  30  -1.655  -8.870   5.218
  217   HG21  ILE  30          HG21      ILE  30  -3.201  -9.263   9.231
  218   HG22  ILE  30          HG22      ILE  30  -4.015  -8.197   8.064
  219   HG23  ILE  30          HG23      ILE  30  -4.082  -9.963   7.902
  220   HD11  ILE  30          HD11      ILE  30  -2.883 -11.021   5.406
  221   HD12  ILE  30          HD12      ILE  30  -4.379 -10.110   5.736
  222   HD13  ILE  30          HD13      ILE  30  -3.559  -9.912   4.192
  223    H    GLN  31           H        GLN  31  -2.438  -6.762   9.667
  224    HA   GLN  31           HA       GLN  31  -0.332  -7.041  11.665
  225    HB2  GLN  31           HB2      GLN  31  -1.700  -4.982  11.362
  226    HB3  GLN  31           HB3      GLN  31  -3.139  -5.870  11.866
  227    HG2  GLN  31           HG2      GLN  31  -2.217  -4.445  13.663
  228    HG3  GLN  31           HG3      GLN  31  -2.253  -6.136  14.126
  229   HE21  GLN  31          HE21      GLN  31  -0.104  -3.398  13.323
  230   HE22  GLN  31          HE22      GLN  31   1.362  -4.213  13.840
  231    H    GLN  32           H        GLN  32  -0.590  -7.954  13.769
  232    HA   GLN  32           HA       GLN  32  -1.530 -10.679  13.651
  233    HB2  GLN  32           HB2      GLN  32  -0.338  -8.976  15.883
  234    HB3  GLN  32           HB3      GLN  32  -0.601 -10.718  15.997
  235    HG2  GLN  32           HG2      GLN  32   0.986 -11.162  14.214
  236    HG3  GLN  32           HG3      GLN  32   1.173  -9.442  13.865
  237   HE21  GLN  32          HE21      GLN  32   2.122  -8.035  15.624
  238   HE22  GLN  32          HE22      GLN  32   3.287  -8.792  16.703
  239    H    ARG  33           H        ARG  33  -2.926 -11.747  15.142
  240    HA   ARG  33           HA       ARG  33  -5.399 -10.280  15.682
  241    HB2  ARG  33           HB2      ARG  33  -4.643 -13.192  16.133
  242    HB3  ARG  33           HB3      ARG  33  -6.248 -12.495  16.395
  243    HG2  ARG  33           HG2      ARG  33  -6.313 -11.790  13.992
  244    HG3  ARG  33           HG3      ARG  33  -4.774 -12.618  13.720
  245    HD2  ARG  33           HD2      ARG  33  -7.343 -13.935  14.695
  246    HD3  ARG  33           HD3      ARG  33  -6.755 -13.947  13.024
  247    HE   ARG  33           HE       ARG  33  -4.670 -14.954  14.639
  248   HH11  ARG  33          HH11      ARG  33  -7.913 -15.989  13.680
  249   HH12  ARG  33          HH12      ARG  33  -7.524 -17.675  13.847
  250   HH21  ARG  33          HH21      ARG  33  -4.233 -17.144  14.840
  251   HH22  ARG  33          HH22      ARG  33  -5.468 -18.315  14.491
  252    H    ASN  34           H        ASN  34  -5.457  -9.022  17.371
  253    HA   ASN  34           HA       ASN  34  -4.749 -10.033  20.094
  254    HB2  ASN  34           HB2      ASN  34  -4.008  -7.345  18.852
  255    HB3  ASN  34           HB3      ASN  34  -3.866  -7.708  20.571
  256   HD21  ASN  34          HD21      ASN  34  -2.411  -9.532  21.238
  257   HD22  ASN  34          HD22      ASN  34  -1.013  -9.846  20.227
  258    H    GLY  35           H        GLY  35  -7.343  -9.842  18.672
  259    HA2  GLY  35           HA2      GLY  35  -9.518  -9.504  19.460
  260    HA3  GLY  35           HA3      GLY  35  -8.919  -8.373  20.696
  261    H    ARG  36           H        ARG  36  -7.519  -7.292  17.947
  262    HA   ARG  36           HA       ARG  36  -9.590  -5.241  17.397
  263    HB2  ARG  36           HB2      ARG  36  -6.733  -5.452  16.362
  264    HB3  ARG  36           HB3      ARG  36  -7.804  -4.061  16.228
  265    HG2  ARG  36           HG2      ARG  36  -6.562  -5.165  18.781
  266    HG3  ARG  36           HG3      ARG  36  -6.148  -3.669  17.946
  267    HD2  ARG  36           HD2      ARG  36  -8.416  -2.770  18.426
  268    HD3  ARG  36           HD3      ARG  36  -8.811  -4.266  19.299
  269    HE   ARG  36           HE       ARG  36  -6.399  -3.155  20.347
  270   HH11  ARG  36          HH12      ARG  36  -9.880  -2.519  20.419
  271   HH12  ARG  36          HH11      ARG  36  -9.794  -1.735  21.970
  272   HH21  ARG  36          HH22      ARG  36  -6.360  -2.131  22.340
  273   HH22  ARG  36          HH21      ARG  36  -7.829  -1.517  23.037
  274    H    LYS  37           H        LYS  37  -9.911  -4.592  15.104
  275    HA   LYS  37           HA       LYS  37 -10.641  -6.803  13.365
  276    HB2  LYS  37           HB2      LYS  37 -10.390  -3.813  12.801
  277    HB3  LYS  37           HB3      LYS  37 -11.173  -4.983  11.748
  278    HG2  LYS  37           HG2      LYS  37 -12.111  -4.184  14.535
  279    HG3  LYS  37           HG3      LYS  37 -12.804  -3.675  12.996
  280    HD2  LYS  37           HD2      LYS  37 -13.319  -6.088  12.479
  281    HD3  LYS  37           HD3      LYS  37 -12.807  -6.518  14.116
  282    HE2  LYS  37           HE2      LYS  37 -15.041  -4.552  13.423
  283    HE3  LYS  37           HE3      LYS  37 -15.289  -6.252  13.825
  284    HZ1  LYS  37           HZ1      LYS  37 -14.322  -5.817  16.017
  285    HZ2  LYS  37           HZ2      LYS  37 -15.622  -4.865  15.760
  286    HZ3  LYS  37           HZ3      LYS  37 -14.123  -4.229  15.657
  287    H    THR  38           H        THR  38  -9.874  -7.097  11.147
  288    HA   THR  38           HA       THR  38  -7.026  -7.472  10.959
  289    HB   THR  38           HB       THR  38  -9.095  -7.519   8.722
  290    HG1  THR  38           HG1      THR  38  -8.228  -9.615  10.444
  291   HG21  THR  38          HG21      THR  38  -6.413  -8.951   9.042
  292   HG22  THR  38          HG22      THR  38  -6.780  -7.656   7.879
  293   HG23  THR  38          HG23      THR  38  -7.583  -9.223   7.731
  294    H    LEU  39           H        LEU  39  -5.472  -6.232  10.089
  295    HA   LEU  39           HA       LEU  39  -6.167  -3.827   8.472
  296    HB2  LEU  39           HB2      LEU  39  -4.174  -3.953  10.780
  297    HB3  LEU  39           HB3      LEU  39  -4.349  -2.596   9.678
  298    HG   LEU  39           HG       LEU  39  -6.523  -3.557  11.590
  299   HD11  LEU  39          HD11      LEU  39  -5.947  -1.566  12.912
  300   HD12  LEU  39          HD12      LEU  39  -4.628  -1.184  11.783
  301   HD13  LEU  39          HD13      LEU  39  -4.557  -2.656  12.777
  302   HD21  LEU  39          HD21      LEU  39  -6.331  -1.062   9.833
  303   HD22  LEU  39          HD22      LEU  39  -7.561  -1.337  11.086
  304   HD23  LEU  39          HD23      LEU  39  -7.497  -2.391   9.676
  305    H    THR  40           H        THR  40  -4.957  -3.590   6.729
  306    HA   THR  40           HA       THR  40  -2.585  -5.307   6.191
  307    HB   THR  40           HB       THR  40  -4.273  -3.469   4.452
  308    HG1  THR  40           HG1      THR  40  -5.040  -5.526   5.073
  309   HG21  THR  40          HG21      THR  40  -1.927  -3.371   3.616
  310   HG22  THR  40          HG22      THR  40  -2.936  -4.362   2.553
  311   HG23  THR  40          HG23      THR  40  -1.827  -5.147   3.698
  312    H    THR  41           H        THR  41  -0.660  -4.549   6.786
  313    HA   THR  41           HA       THR  41  -0.221  -1.649   7.297
  314    HB   THR  41           HB       THR  41   1.935  -2.682   8.378
  315    HG1  THR  41           HG1      THR  41   1.438  -4.700   9.315
  316   HG21  THR  41          HG21      THR  41  -0.848  -2.858   9.622
  317   HG22  THR  41          HG22      THR  41   0.158  -1.394   9.510
  318   HG23  THR  41          HG23      THR  41   0.695  -2.759  10.506
  319    H    VAL  42           H        VAL  42   0.657  -0.532   5.817
  320    HA   VAL  42           HA       VAL  42   2.441  -1.795   3.775
  321    HB   VAL  42           HB       VAL  42   1.488   1.073   3.750
  322   HG11  VAL  42          HG11      VAL  42   2.019   0.904   1.339
  323   HG12  VAL  42          HG12      VAL  42   3.446   0.588   2.331
  324   HG13  VAL  42          HG13      VAL  42   2.583  -0.765   1.576
  325   HG21  VAL  42          HG21      VAL  42  -0.537  -0.312   3.705
  326   HG22  VAL  42          HG22      VAL  42  -0.227   0.341   2.097
  327   HG23  VAL  42          HG23      VAL  42   0.182  -1.358   2.460
  328    H    GLN  43           H        GLN  43   4.517  -1.595   3.883
  329    HA   GLN  43           HA       GLN  43   5.901   0.346   5.688
  330    HB2  GLN  43           HB2      GLN  43   5.439  -1.697   6.918
  331    HB3  GLN  43           HB3      GLN  43   5.931  -2.702   5.577
  332    HG2  GLN  43           HG2      GLN  43   7.610  -2.819   7.263
  333    HG3  GLN  43           HG3      GLN  43   8.303  -1.966   5.900
  334   HE21  GLN  43          HE21      GLN  43   7.433  -1.754   9.286
  335   HE22  GLN  43          HE22      GLN  43   8.000  -0.102   9.514
  336    H    GLY  44           H        GLY  44   8.240   0.501   5.190
  337    HA2  GLY  44           HA2      GLY  44  10.116   0.522   3.877
  338    HA3  GLY  44           HA3      GLY  44   9.419  -0.833   2.969
  339    H    VAL  45           H        VAL  45   7.118   1.072   2.284
  340    HA   VAL  45           HA       VAL  45   7.664   1.886  -0.242
  341    HB   VAL  45           HB       VAL  45   5.459   1.941   0.689
  342   HG11  VAL  45          HG11      VAL  45   4.544   3.763   1.975
  343   HG12  VAL  45          HG12      VAL  45   5.909   3.070   2.864
  344   HG13  VAL  45          HG13      VAL  45   6.100   4.609   1.991
  345   HG21  VAL  45          HG21      VAL  45   4.567   3.858  -0.525
  346   HG22  VAL  45          HG22      VAL  45   6.159   4.639  -0.538
  347   HG23  VAL  45          HG23      VAL  45   5.895   3.130  -1.439
  348    HA   PRO  46           HA       PRO  46  10.871   4.994  -0.113
  349    HB2  PRO  46           HB2      PRO  46   9.494   5.869  -2.661
  350    HB3  PRO  46           HB3      PRO  46  11.227   5.732  -2.345
  351    HG2  PRO  46           HG2      PRO  46   9.967   3.752  -3.673
  352    HG3  PRO  46           HG3      PRO  46  11.110   3.325  -2.356
  353    HD2  PRO  46           HD2      PRO  46   8.083   3.446  -2.247
  354    HD3  PRO  46           HD3      PRO  46   9.215   2.227  -1.580
  355    H    GLU  47           H        GLU  47  11.095   7.039   0.690
  356    HA   GLU  47           HA       GLU  47   8.796   8.328   1.753
  357    HB2  GLU  47           HB2      GLU  47  10.352   9.895   2.743
  358    HB3  GLU  47           HB3      GLU  47  10.968   8.252   2.879
  359    HG2  GLU  47           HG2      GLU  47  12.499   8.672   0.949
  360    HG3  GLU  47           HG3      GLU  47  11.882  10.320   0.826
  361    H    GLU  48           H        GLU  48  10.092   8.701  -1.363
  362    HA   GLU  48           HA       GLU  48   9.299  11.465  -1.828
  363    HB2  GLU  48           HB2      GLU  48   9.735  11.020  -4.149
  364    HB3  GLU  48           HB3      GLU  48  11.047  10.386  -3.160
  365    HG2  GLU  48           HG2      GLU  48  10.073   8.087  -3.389
  366    HG3  GLU  48           HG3      GLU  48   8.810   8.741  -4.436
  367    H    TYR  49           H        TYR  49   7.545   8.476  -1.588
  368    HA   TYR  49           HA       TYR  49   5.180   9.525  -3.041
  369    HB2  TYR  49           HB2      TYR  49   5.687   6.860  -1.672
  370    HB3  TYR  49           HB3      TYR  49   4.229   7.309  -2.541
  371    HD1  TYR  49           HD2      TYR  49   4.594   8.185  -5.027
  372    HD2  TYR  49           HD1      TYR  49   7.380   5.696  -2.870
  373    HE1  TYR  49           HE2      TYR  49   5.591   7.438  -7.180
  374    HE2  TYR  49           HE1      TYR  49   8.365   4.936  -5.023
  375    HH   TYR  49           HH       TYR  49   8.336   5.137  -7.318
  376    H    ASP  50           H        ASP  50   3.759  10.743  -2.000
  377    HA   ASP  50           HA       ASP  50   3.819  11.175   0.852
  378    HB2  ASP  50           HB2      ASP  50   3.261  12.976  -0.651
  379    HB3  ASP  50           HB3      ASP  50   1.915  12.063  -1.337
  380    H    LEU  51           H        LEU  51   2.955   9.962   2.385
  381    HA   LEU  51           HA       LEU  51   1.368   7.661   1.883
  382    HB2  LEU  51           HB2      LEU  51   1.709   9.210   4.482
  383    HB3  LEU  51           HB3      LEU  51   1.168   7.540   4.334
  384    HG   LEU  51           HG       LEU  51   3.947   8.644   3.761
  385   HD11  LEU  51          HD11      LEU  51   4.580   7.236   5.674
  386   HD12  LEU  51          HD12      LEU  51   2.901   6.673   5.843
  387   HD13  LEU  51          HD13      LEU  51   3.302   8.381   6.133
  388   HD21  LEU  51          HD21      LEU  51   3.516   6.832   2.132
  389   HD22  LEU  51          HD22      LEU  51   3.013   5.754   3.458
  390   HD23  LEU  51          HD23      LEU  51   4.684   6.332   3.358
  391    H    LYS  52           H        LYS  52   0.380  10.919   2.925
  392    HA   LYS  52           HA       LYS  52  -2.400  10.370   3.320
  393    HB2  LYS  52           HB2      LYS  52  -1.001  12.924   2.454
  394    HB3  LYS  52           HB3      LYS  52  -2.680  12.820   2.985
  395    HG2  LYS  52           HG2      LYS  52  -1.976  12.010   5.197
  396    HG3  LYS  52           HG3      LYS  52  -0.276  12.050   4.714
  397    HD2  LYS  52           HD2      LYS  52  -2.106  14.485   4.827
  398    HD3  LYS  52           HD3      LYS  52  -0.958  14.004   6.086
  399    HE2  LYS  52           HE2      LYS  52   0.916  14.190   4.442
  400    HE3  LYS  52           HE3      LYS  52  -0.225  14.730   3.210
  401    HZ1  LYS  52           HZ1      LYS  52   0.331  16.157   5.752
  402    HZ2  LYS  52           HZ2      LYS  52  -0.730  16.655   4.613
  403    HZ3  LYS  52           HZ3      LYS  52   0.867  16.604   4.276
  404    H    ARG  53           H        ARG  53  -0.668  11.297   0.285
  405    HA   ARG  53           HA       ARG  53  -2.978  11.220  -1.382
  406    HB2  ARG  53           HB2      ARG  53  -0.838  12.217  -2.073
  407    HB3  ARG  53           HB3      ARG  53  -0.070  10.633  -2.069
  408    HG2  ARG  53           HG2      ARG  53  -0.577  11.320  -4.333
  409    HG3  ARG  53           HG3      ARG  53  -1.506   9.882  -3.921
  410    HD2  ARG  53           HD2      ARG  53  -3.521  11.284  -3.546
  411    HD3  ARG  53           HD3      ARG  53  -2.565  12.740  -3.906
  412    HE   ARG  53           HE       ARG  53  -2.380  10.827  -6.048
  413   HH11  ARG  53          HH11      ARG  53  -4.632  13.231  -4.752
  414   HH12  ARG  53          HH12      ARG  53  -5.397  13.474  -6.293
  415   HH21  ARG  53          HH22      ARG  53  -3.420  11.181  -8.000
  416   HH22  ARG  53          HH21      ARG  53  -4.726  12.322  -8.102
  417    H    ILE  54           H        ILE  54  -0.797   8.565  -0.330
  418    HA   ILE  54           HA       ILE  54  -1.998   6.460  -1.914
  419    HB   ILE  54           HB       ILE  54  -0.592   6.298   0.770
  420   HG12  ILE  54          HG12      ILE  54   0.415   5.778  -2.061
  421   HG13  ILE  54          HG13      ILE  54   0.774   7.213  -1.131
  422   HG21  ILE  54          HG21      ILE  54  -2.016   4.349   0.475
  423   HG22  ILE  54          HG22      ILE  54  -1.434   4.121  -1.187
  424   HG23  ILE  54          HG23      ILE  54  -0.355   3.866   0.199
  425   HD11  ILE  54          HD11      ILE  54   1.697   4.398  -0.492
  426   HD12  ILE  54          HD12      ILE  54   2.671   5.785  -0.996
  427   HD13  ILE  54          HD13      ILE  54   1.901   5.785   0.602
  428    H    LEU  55           H        LEU  55  -2.843   7.659   1.425
  429    HA   LEU  55           HA       LEU  55  -5.134   6.042   1.750
  430    HB2  LEU  55           HB2      LEU  55  -4.985   8.946   2.653
  431    HB3  LEU  55           HB3      LEU  55  -5.955   7.647   3.292
  432    HG   LEU  55           HG       LEU  55  -3.026   8.184   3.708
  433   HD11  LEU  55          HD11      LEU  55  -3.701   8.092   6.070
  434   HD12  LEU  55          HD12      LEU  55  -5.356   7.658   5.595
  435   HD13  LEU  55          HD13      LEU  55  -4.693   9.253   5.176
  436   HD21  LEU  55          HD21      LEU  55  -2.857   6.071   4.975
  437   HD22  LEU  55          HD22      LEU  55  -3.034   5.812   3.238
  438   HD23  LEU  55          HD23      LEU  55  -4.433   5.555   4.327
  439    H    LYS  56           H        LYS  56  -4.944   9.280   0.145
  440    HA   LYS  56           HA       LYS  56  -7.749   9.444  -0.370
  441    HB2  LYS  56           HB2      LYS  56  -5.349  10.736  -1.736
  442    HB3  LYS  56           HB3      LYS  56  -7.010  11.141  -2.141
  443    HG2  LYS  56           HG2      LYS  56  -5.833  11.459   0.654
  444    HG3  LYS  56           HG3      LYS  56  -5.895  12.730  -0.569
  445    HD2  LYS  56           HD2      LYS  56  -8.400  12.546  -0.602
  446    HD3  LYS  56           HD3      LYS  56  -8.302  11.304   0.651
  447    HE2  LYS  56           HE2      LYS  56  -8.835  13.318   1.773
  448    HE3  LYS  56           HE3      LYS  56  -7.156  12.942   2.164
  449    HZ1  LYS  56           HZ1      LYS  56  -7.467  15.289   1.612
  450    HZ2  LYS  56           HZ2      LYS  56  -8.038  14.923   0.129
  451    HZ3  LYS  56           HZ3      LYS  56  -6.477  14.606   0.510
  452    H    VAL  57           H        VAL  57  -5.172   8.029  -2.398
  453    HA   VAL  57           HA       VAL  57  -6.952   7.457  -4.620
  454    HB   VAL  57           HB       VAL  57  -4.335   6.095  -3.855
  455   HG11  VAL  57          HG11      VAL  57  -6.044   5.904  -6.379
  456   HG12  VAL  57          HG12      VAL  57  -4.341   5.443  -6.333
  457   HG13  VAL  57          HG13      VAL  57  -5.502   4.570  -5.331
  458   HG21  VAL  57          HG21      VAL  57  -4.156   8.533  -4.380
  459   HG22  VAL  57          HG22      VAL  57  -3.348   7.517  -5.577
  460   HG23  VAL  57          HG23      VAL  57  -4.936   8.238  -5.941
  461    H    LEU  58           H        LEU  58  -5.846   5.429  -1.849
  462    HA   LEU  58           HA       LEU  58  -7.339   3.108  -2.703
  463    HB2  LEU  58           HB2      LEU  58  -6.154   3.840  -0.000
  464    HB3  LEU  58           HB3      LEU  58  -6.730   2.238  -0.463
  465    HG   LEU  58           HG       LEU  58  -4.400   3.708  -1.793
  466   HD11  LEU  58          HD11      LEU  58  -3.944   2.959   0.532
  467   HD12  LEU  58          HD12      LEU  58  -2.976   2.087  -0.675
  468   HD13  LEU  58          HD13      LEU  58  -4.391   1.311   0.054
  469   HD21  LEU  58          HD21      LEU  58  -3.923   1.491  -2.833
  470   HD22  LEU  58          HD22      LEU  58  -5.351   2.313  -3.453
  471   HD23  LEU  58          HD23      LEU  58  -5.534   0.947  -2.315
  472    H    LYS  59           H        LYS  59  -8.258   5.816  -0.579
  473    HA   LYS  59           HA       LYS  59 -10.830   4.621   0.127
  474    HB2  LYS  59           HB2      LYS  59  -9.758   7.472   0.250
  475    HB3  LYS  59           HB3      LYS  59 -11.354   6.977   0.843
  476    HG2  LYS  59           HG2      LYS  59 -10.294   5.322   2.349
  477    HG3  LYS  59           HG3      LYS  59  -8.698   5.840   1.837
  478    HD2  LYS  59           HD2      LYS  59  -9.306   8.201   2.620
  479    HD3  LYS  59           HD3      LYS  59 -10.770   7.486   3.337
  480    HE2  LYS  59           HE2      LYS  59  -9.216   5.848   4.539
  481    HE3  LYS  59           HE3      LYS  59  -7.856   6.814   3.973
  482    HZ1  LYS  59           HZ1      LYS  59  -8.837   8.712   5.198
  483    HZ2  LYS  59           HZ2      LYS  59  -8.507   7.455   6.201
  484    HZ3  LYS  59           HZ3      LYS  59 -10.049   7.751   5.743
  485    H    LYS  60           H        LYS  60  -9.730   6.631  -2.591
  486    HA   LYS  60           HA       LYS  60 -12.431   7.153  -3.565
  487    HB2  LYS  60           HB2      LYS  60 -10.592   8.729  -3.843
  488    HB3  LYS  60           HB3      LYS  60  -9.679   7.565  -4.813
  489    HG2  LYS  60           HG2      LYS  60 -11.444   7.594  -6.544
  490    HG3  LYS  60           HG3      LYS  60 -12.402   8.721  -5.573
  491    HD2  LYS  60           HD2      LYS  60  -9.624   9.278  -6.711
  492    HD3  LYS  60           HD3      LYS  60 -11.153   9.792  -7.440
  493    HE2  LYS  60           HE2      LYS  60 -11.688  11.076  -5.349
  494    HE3  LYS  60           HE3      LYS  60 -10.098  10.646  -4.705
  495    HZ1  LYS  60           HZ1      LYS  60 -10.574  12.217  -7.180
  496    HZ2  LYS  60           HZ2      LYS  60  -9.098  11.813  -6.600
  497    HZ3  LYS  60           HZ3      LYS  60 -10.063  12.827  -5.755
  498    H    ASP  61           H        ASP  61  -9.741   5.265  -5.039
  499    HA   ASP  61           HA       ASP  61 -11.549   4.221  -7.075
  500    HB2  ASP  61           HB2      ASP  61  -8.579   3.895  -6.520
  501    HB3  ASP  61           HB3      ASP  61  -9.406   3.107  -7.861
  502    H    PHE  62           H        PHE  62  -9.860   2.761  -4.272
  503    HA   PHE  62           HA       PHE  62 -10.944   0.083  -4.932
  504    HB2  PHE  62           HB2      PHE  62  -9.071   1.054  -2.742
  505    HB3  PHE  62           HB3      PHE  62  -9.603  -0.592  -2.943
  506    HD1  PHE  62           HD1      PHE  62  -7.713   2.146  -4.699
  507    HD2  PHE  62           HD2      PHE  62  -8.462  -2.085  -4.341
  508    HE1  PHE  62           HE1      PHE  62  -5.721   1.676  -6.081
  509    HE2  PHE  62           HE2      PHE  62  -6.453  -2.548  -5.715
  510    HZ   PHE  62           HZ       PHE  62  -5.083  -0.681  -6.596
  511    H    ALA  63           H        ALA  63 -11.921   2.785  -3.110
  512    HA   ALA  63           HA       ALA  63 -13.515   3.224  -1.568
  513    HB1  ALA  63           HB1      ALA  63 -14.925   2.045  -3.246
  514    HB2  ALA  63           HB2      ALA  63 -14.718   0.533  -2.331
  515    HB3  ALA  63           HB3      ALA  63 -15.546   1.913  -1.593
  516    H    CYS  64           H        CYS  64 -11.063   2.020  -0.620
  517    HA   CYS  64           HA       CYS  64 -11.779   0.286   1.669
  518    HB2  CYS  64           HB2      CYS  64  -9.153   1.446   0.610
  519    HB3  CYS  64           HB3      CYS  64  -9.272   0.401   2.034
  520    HG   CYS  64           HG       CYS  64  -8.391  -0.985  -0.031
  521    H    ASN  65           H        ASN  65 -10.255   1.100   3.697
  522    HA   ASN  65           HA       ASN  65 -10.382   3.982   4.105
  523    HB2  ASN  65           HB2      ASN  65 -12.604   3.229   4.958
  524    HB3  ASN  65           HB3      ASN  65 -11.779   2.139   6.072
  525   HD21  ASN  65          HD21      ASN  65 -12.113   3.081   8.096
  526   HD22  ASN  65          HD22      ASN  65 -11.774   4.772   8.458
  527    H    GLY  66           H        GLY  66  -9.005   4.667   5.924
  528    HA2  GLY  66           HA2      GLY  66  -7.137   2.901   7.179
  529    HA3  GLY  66           HA3      GLY  66  -6.488   3.407   5.643
  530    H    ASN  67           H        ASN  67  -5.001   3.945   7.543
  531    HA   ASN  67           HA       ASN  67  -4.939   6.842   7.985
  532    HB2  ASN  67           HB2      ASN  67  -4.889   6.664  10.444
  533    HB3  ASN  67           HB3      ASN  67  -6.430   6.136   9.791
  534   HD21  ASN  67          HD21      ASN  67  -3.469   5.066  11.455
  535   HD22  ASN  67          HD22      ASN  67  -4.048   3.435  11.772
  536    H    ILE  68           H        ILE  68  -2.930   7.518   9.105
  537    HA   ILE  68           HA       ILE  68  -0.608   5.705   8.542
  538    HB   ILE  68           HB       ILE  68  -0.764   8.703   9.026
  539   HG12  ILE  68          HG12      ILE  68   0.170   7.320   6.481
  540   HG13  ILE  68          HG13      ILE  68  -1.532   7.664   6.728
  541   HG21  ILE  68          HG21      ILE  68   1.665   6.941   8.425
  542   HG22  ILE  68          HG22      ILE  68   1.673   8.714   8.400
  543   HG23  ILE  68          HG23      ILE  68   1.370   7.874   9.912
  544   HD11  ILE  68          HD11      ILE  68  -1.036  10.078   7.035
  545   HD12  ILE  68          HD12      ILE  68   0.671   9.754   6.647
  546   HD13  ILE  68          HD13      ILE  68  -0.595   9.450   5.440
  547    H    VAL  69           H        VAL  69   0.759   5.070  10.191
  548    HA   VAL  69           HA       VAL  69   0.379   6.251  12.921
  549    HB   VAL  69           HB       VAL  69   0.832   3.282  12.415
  550   HG11  VAL  69          HG11      VAL  69   0.475   4.841  15.013
  551   HG12  VAL  69          HG12      VAL  69   0.514   3.069  14.882
  552   HG13  VAL  69          HG13      VAL  69   1.948   4.005  14.473
  553   HG21  VAL  69          HG21      VAL  69  -1.498   3.774  11.932
  554   HG22  VAL  69          HG22      VAL  69  -1.406   2.984  13.511
  555   HG23  VAL  69          HG23      VAL  69  -1.651   4.738  13.423
  556    H    LYS  70           H        LYS  70   2.224   6.867  13.803
  557    HA   LYS  70           HA       LYS  70   4.852   6.096  12.607
  558    HB2  LYS  70           HB2      LYS  70   4.201   8.531  12.919
  559    HB3  LYS  70           HB3      LYS  70   4.248   8.251  14.664
  560    HG2  LYS  70           HG2      LYS  70   6.674   7.379  14.258
  561    HG3  LYS  70           HG3      LYS  70   6.528   8.083  12.644
  562    HD2  LYS  70           HD2      LYS  70   6.311   9.513  15.324
  563    HD3  LYS  70           HD3      LYS  70   7.667   9.615  14.213
  564    HE2  LYS  70           HE2      LYS  70   4.839  10.613  13.602
  565    HE3  LYS  70           HE3      LYS  70   6.141  11.613  14.245
  566    HZ1  LYS  70           HZ1      LYS  70   6.108  10.312  11.572
  567    HZ2  LYS  70           HZ2      LYS  70   7.432  11.047  12.214
  568    HZ3  LYS  70           HZ3      LYS  70   6.077  11.899  11.903
  569    H    ASP  71           H        ASP  71   5.062   3.982  13.400
  570    HA   ASP  71           HA       ASP  71   4.309   3.305  16.108
  571    HB2  ASP  71           HB2      ASP  71   4.112   1.832  14.045
  572    HB3  ASP  71           HB3      ASP  71   5.856   1.683  14.090
  573    HA   PRO  72           HA       PRO  72   8.257   4.065  18.146
  574    HB2  PRO  72           HB2      PRO  72   7.550   1.598  19.742
  575    HB3  PRO  72           HB3      PRO  72   8.139   3.186  20.323
  576    HG2  PRO  72           HG2      PRO  72   5.516   2.549  20.502
  577    HG3  PRO  72           HG3      PRO  72   6.004   4.190  19.958
  578    HD2  PRO  72           HD2      PRO  72   5.117   1.835  18.286
  579    HD3  PRO  72           HD3      PRO  72   4.662   3.563  18.155
  580    H    GLU  73           H        GLU  73   7.492   0.752  17.026
  581    HA   GLU  73           HA       GLU  73  10.408   0.064  16.875
  582    HB2  GLU  73           HB2      GLU  73   7.918  -1.690  16.823
  583    HB3  GLU  73           HB3      GLU  73   9.572  -2.267  16.684
  584    HG2  GLU  73           HG2      GLU  73   8.368  -0.856  19.108
  585    HG3  GLU  73           HG3      GLU  73   8.644  -2.583  18.940
  586    H    MET  74           H        MET  74   7.342  -0.150  15.001
  587    HA   MET  74           HA       MET  74   8.719  -1.029  12.573
  588    HB2  MET  74           HB2      MET  74   5.817  -0.262  13.120
  589    HB3  MET  74           HB3      MET  74   6.401  -0.842  11.579
  590    HG2  MET  74           HG2      MET  74   7.208  -2.933  12.707
  591    HG3  MET  74           HG3      MET  74   6.512  -2.344  14.221
  592    HE1  MET  74           HE1      MET  74   5.166  -4.568  14.519
  593    HE2  MET  74           HE2      MET  74   4.137  -5.283  13.262
  594    HE3  MET  74           HE3      MET  74   5.891  -5.177  13.014
  595    H    GLY  75           H        GLY  75   8.024   2.138  13.832
  596    HA2  GLY  75           HA2      GLY  75   8.482   4.236  12.920
  597    HA3  GLY  75           HA3      GLY  75   9.062   3.456  11.437
  598    H    GLU  76           H        GLU  76   7.927   5.151  10.266
  599    HA   GLU  76           HA       GLU  76   5.120   5.462  10.597
  600    HB2  GLU  76           HB2      GLU  76   6.932   7.169   9.974
  601    HB3  GLU  76           HB3      GLU  76   6.761   6.570   8.314
  602    HG2  GLU  76           HG2      GLU  76   4.434   7.170   8.294
  603    HG3  GLU  76           HG3      GLU  76   4.423   7.457  10.039
  604    H    ILE  77           H        ILE  77   3.597   4.252   9.857
  605    HA   ILE  77           HA       ILE  77   3.780   2.762   7.272
  606    HB   ILE  77           HB       ILE  77   2.550   0.895   8.436
  607   HG12  ILE  77          HG12      ILE  77   3.477   2.242  11.013
  608   HG13  ILE  77          HG13      ILE  77   1.807   2.102  10.460
  609   HG21  ILE  77          HG21      ILE  77   4.497  -0.241   9.120
  610   HG22  ILE  77          HG22      ILE  77   4.992   0.858   7.840
  611   HG23  ILE  77          HG23      ILE  77   5.349   1.276   9.532
  612   HD11  ILE  77          HD11      ILE  77   2.196   0.431  12.132
  613   HD12  ILE  77          HD12      ILE  77   2.038  -0.399  10.571
  614   HD13  ILE  77          HD13      ILE  77   3.642  -0.169  11.306
  615    H    ILE  78           H        ILE  78   1.840   2.317   6.237
  616    HA   ILE  78           HA       ILE  78  -0.583   3.833   7.144
  617    HB   ILE  78           HB       ILE  78   0.100   2.503   4.504
  618   HG12  ILE  78          HG12      ILE  78  -0.525   5.438   4.985
  619   HG13  ILE  78          HG13      ILE  78   1.119   4.809   5.099
  620   HG21  ILE  78          HG21      ILE  78  -2.507   3.785   5.401
  621   HG22  ILE  78          HG22      ILE  78  -2.114   3.443   3.702
  622   HG23  ILE  78          HG23      ILE  78  -2.255   2.122   4.838
  623   HD11  ILE  78          HD11      ILE  78  -0.635   4.626   2.625
  624   HD12  ILE  78          HD12      ILE  78   0.738   5.699   2.869
  625   HD13  ILE  78          HD13      ILE  78   1.005   3.946   2.800
  626    H    GLN  79           H        GLN  79  -2.292   2.785   7.910
  627    HA   GLN  79           HA       GLN  79  -2.471  -0.201   7.822
  628    HB2  GLN  79           HB2      GLN  79  -3.778   1.879   9.634
  629    HB3  GLN  79           HB3      GLN  79  -4.149   0.153   9.651
  630    HG2  GLN  79           HG2      GLN  79  -1.868  -0.381  10.349
  631    HG3  GLN  79           HG3      GLN  79  -1.391   1.319  10.272
  632   HE21  GLN  79          HE21      GLN  79  -1.222  -0.399  12.645
  633   HE22  GLN  79          HE22      GLN  79  -2.288   0.341  13.829
  634    H    LEU  80           H        LEU  80  -3.939  -0.908   6.333
  635    HA   LEU  80           HA       LEU  80  -6.273   0.819   5.608
  636    HB2  LEU  80           HB2      LEU  80  -4.400  -0.065   3.846
  637    HB3  LEU  80           HB3      LEU  80  -5.382  -1.525   3.935
  638    HG   LEU  80           HG       LEU  80  -7.386  -0.142   3.260
  639   HD11  LEU  80          HD11      LEU  80  -5.252   1.976   2.665
  640   HD12  LEU  80          HD12      LEU  80  -6.525   2.123   3.884
  641   HD13  LEU  80          HD13      LEU  80  -6.959   2.053   2.175
  642   HD21  LEU  80          HD21      LEU  80  -6.622   0.037   0.842
  643   HD22  LEU  80          HD22      LEU  80  -6.196  -1.497   1.602
  644   HD23  LEU  80          HD23      LEU  80  -4.964  -0.264   1.410
  645    H    GLN  81           H        GLN  81  -8.341  -0.129   5.865
  646    HA   GLN  81           HA       GLN  81  -8.479  -2.298   7.783
  647    HB2  GLN  81           HB2      GLN  81 -10.616  -0.761   6.252
  648    HB3  GLN  81           HB3      GLN  81 -10.977  -2.062   7.386
  649    HG2  GLN  81           HG2      GLN  81  -9.649  -0.785   9.153
  650    HG3  GLN  81           HG3      GLN  81  -9.581   0.573   8.025
  651   HE21  GLN  81          HE21      GLN  81 -11.924  -1.599   9.765
  652   HE22  GLN  81          HE22      GLN  81 -13.179  -0.373   9.836
  653    H    GLY  82           H        GLY  82  -8.869  -4.403   7.590
  654    HA2  GLY  82           HA2      GLY  82  -9.532  -6.433   6.660
  655    HA3  GLY  82           HA3      GLY  82  -9.873  -5.647   5.112
  656    H    ASP  83           H        ASP  83  -8.821  -7.724   4.462
  657    HA   ASP  83           HA       ASP  83  -5.860  -7.715   4.448
  658    HB2  ASP  83           HB2      ASP  83  -6.078  -9.988   3.644
  659    HB3  ASP  83           HB3      ASP  83  -6.908  -9.749   5.172
  660    H    GLN  84           H        GLN  84  -5.458  -6.021   3.033
  661    HA   GLN  84           HA       GLN  84  -6.511  -6.184   0.243
  662    HB2  GLN  84           HB2      GLN  84  -5.435  -3.723   1.623
  663    HB3  GLN  84           HB3      GLN  84  -6.470  -3.809   0.200
  664    HG2  GLN  84           HG2      GLN  84  -7.240  -4.313   3.103
  665    HG3  GLN  84           HG3      GLN  84  -7.744  -2.980   2.097
  666   HE21  GLN  84          HE21      GLN  84  -9.660  -4.219   3.404
  667   HE22  GLN  84          HE22      GLN  84 -10.639  -5.224   2.320
  668    H    ARG  85           H        ARG  85  -4.056  -7.502   1.371
  669    HA   ARG  85           HA       ARG  85  -1.819  -6.065   0.672
  670    HB2  ARG  85           HB2      ARG  85  -0.558  -8.139   0.934
  671    HB3  ARG  85           HB3      ARG  85  -1.767  -7.921   2.190
  672    HG2  ARG  85           HG2      ARG  85  -3.304  -9.491   0.940
  673    HG3  ARG  85           HG3      ARG  85  -1.987  -9.795  -0.209
  674    HD2  ARG  85           HD2      ARG  85  -0.589 -10.675   1.607
  675    HD3  ARG  85           HD3      ARG  85  -1.849 -10.313   2.789
  676    HE   ARG  85           HE       ARG  85  -3.092 -11.898   0.859
  677   HH11  ARG  85          HH11      ARG  85  -0.388 -12.364   3.072
  678   HH12  ARG  85          HH12      ARG  85  -0.626 -14.095   3.146
  679   HH21  ARG  85          HH21      ARG  85  -3.363 -14.119   1.002
  680   HH22  ARG  85          HH22      ARG  85  -2.300 -15.065   1.999
  681    H    ALA  86           H        ALA  86  -3.541  -8.330  -1.451
  682    HA   ALA  86           HA       ALA  86  -1.740  -8.013  -3.716
  683    HB1  ALA  86           HB1      ALA  86  -3.547  -9.204  -4.913
  684    HB2  ALA  86           HB2      ALA  86  -3.171 -10.001  -3.374
  685    HB3  ALA  86           HB3      ALA  86  -4.630  -8.993  -3.521
  686    H    LYS  87           H        LYS  87  -4.738  -6.388  -2.664
  687    HA   LYS  87           HA       LYS  87  -5.154  -4.825  -5.045
  688    HB2  LYS  87           HB2      LYS  87  -6.005  -4.353  -2.151
  689    HB3  LYS  87           HB3      LYS  87  -6.607  -3.459  -3.535
  690    HG2  LYS  87           HG2      LYS  87  -7.518  -5.582  -4.510
  691    HG3  LYS  87           HG3      LYS  87  -6.950  -6.448  -3.064
  692    HD2  LYS  87           HD2      LYS  87  -8.300  -4.766  -1.692
  693    HD3  LYS  87           HD3      LYS  87  -9.058  -4.250  -3.204
  694    HE2  LYS  87           HE2      LYS  87  -9.982  -6.461  -3.589
  695    HE3  LYS  87           HE3      LYS  87  -8.991  -7.158  -2.297
  696    HZ1  LYS  87           HZ1      LYS  87 -10.199  -5.822  -0.697
  697    HZ2  LYS  87           HZ2      LYS  87 -11.236  -6.796  -1.517
  698    HZ3  LYS  87           HZ3      LYS  87 -11.168  -5.198  -1.868
  699    H    VAL  88           H        VAL  88  -3.508  -4.021  -1.954
  700    HA   VAL  88           HA       VAL  88  -2.667  -1.414  -2.870
  701    HB   VAL  88           HB       VAL  88  -1.540  -3.134  -0.642
  702   HG11  VAL  88          HG11      VAL  88   0.189  -1.489  -1.321
  703   HG12  VAL  88          HG12      VAL  88  -1.019  -0.185  -1.283
  704   HG13  VAL  88          HG13      VAL  88  -0.536  -1.017   0.208
  705   HG21  VAL  88          HG21      VAL  88  -3.452  -0.751  -0.692
  706   HG22  VAL  88          HG22      VAL  88  -3.898  -2.418  -0.317
  707   HG23  VAL  88          HG23      VAL  88  -2.833  -1.535   0.783
  708    H    CYS  89           H        CYS  89  -1.069  -4.646  -3.127
  709    HA   CYS  89           HA       CYS  89   1.352  -3.752  -4.331
  710    HB2  CYS  89           HB2      CYS  89   0.847  -6.069  -3.536
  711    HB3  CYS  89           HB3      CYS  89  -0.259  -6.287  -4.902
  712    HG   CYS  89           HG       CYS  89   1.971  -7.547  -5.447
  713    H    GLU  90           H        GLU  90  -1.757  -4.629  -5.916
  714    HA   GLU  90           HA       GLU  90  -1.045  -3.902  -8.532
  715    HB2  GLU  90           HB2      GLU  90  -3.045  -5.214  -7.794
  716    HB3  GLU  90           HB3      GLU  90  -3.810  -3.707  -7.271
  717    HG2  GLU  90           HG2      GLU  90  -3.729  -2.840  -9.567
  718    HG3  GLU  90           HG3      GLU  90  -2.825  -4.266 -10.095
  719    H    PHE  91           H        PHE  91  -2.288  -1.738  -5.896
  720    HA   PHE  91           HA       PHE  91  -2.567   0.610  -7.516
  721    HB2  PHE  91           HB2      PHE  91  -3.566   0.731  -5.396
  722    HB3  PHE  91           HB3      PHE  91  -2.186   0.044  -4.575
  723    HD1  PHE  91           HD2      PHE  91  -3.166   3.113  -6.525
  724    HD2  PHE  91           HD1      PHE  91  -0.661   1.413  -3.467
  725    HE1  PHE  91           HE2      PHE  91  -2.182   5.358  -6.068
  726    HE2  PHE  91           HE1      PHE  91   0.295   3.657  -2.999
  727    HZ   PHE  91           HZ       PHE  91  -0.501   5.640  -4.292
  728    H    MET  92           H        MET  92   0.222  -0.598  -5.612
  729    HA   MET  92           HA       MET  92   2.013   1.555  -6.186
  730    HB2  MET  92           HB2      MET  92   2.569  -1.367  -5.575
  731    HB3  MET  92           HB3      MET  92   3.777  -0.096  -5.494
  732    HG2  MET  92           HG2      MET  92   1.237   0.040  -3.847
  733    HG3  MET  92           HG3      MET  92   2.609  -0.915  -3.316
  734    HE1  MET  92           HE1      MET  92   2.012   0.492  -1.130
  735    HE2  MET  92           HE2      MET  92   2.250   2.249  -0.989
  736    HE3  MET  92           HE3      MET  92   0.906   1.611  -1.953
  737    H    ILE  93           H        ILE  93   1.463  -1.549  -7.878
  738    HA   ILE  93           HA       ILE  93   3.427  -1.083  -9.965
  739    HB   ILE  93           HB       ILE  93   1.009  -2.931  -9.824
  740   HG12  ILE  93          HG12      ILE  93   3.959  -3.665  -9.558
  741   HG13  ILE  93          HG13      ILE  93   3.000  -3.222  -8.162
  742   HG21  ILE  93          HG21      ILE  93   1.649  -2.560 -12.198
  743   HG22  ILE  93          HG22      ILE  93   3.342  -2.947 -11.804
  744   HG23  ILE  93          HG23      ILE  93   2.078  -4.184 -11.697
  745   HD11  ILE  93          HD11      ILE  93   2.272  -5.546  -9.984
  746   HD12  ILE  93          HD12      ILE  93   3.140  -5.669  -8.449
  747   HD13  ILE  93          HD13      ILE  93   1.466  -5.068  -8.483
  748    H    SER  94           H        SER  94  -0.130  -0.581  -9.907
  749    HA   SER  94           HA       SER  94  -0.217   0.247 -12.675
  750    HB2  SER  94           HB2      SER  94  -2.055  -0.912 -11.589
  751    HB3  SER  94           HB3      SER  94  -2.245   0.399 -10.413
  752    HG   SER  94           HG       SER  94  -3.702   0.351 -12.345
  753    H    GLN  95           H        GLN  95  -0.528   2.138  -9.611
  754    HA   GLN  95           HA       GLN  95  -0.966   4.595 -11.231
  755    HB2  GLN  95           HB2      GLN  95  -1.281   4.059  -8.254
  756    HB3  GLN  95           HB3      GLN  95  -1.723   5.548  -9.084
  757    HG2  GLN  95           HG2      GLN  95  -2.998   2.808  -9.539
  758    HG3  GLN  95           HG3      GLN  95  -3.702   4.157  -8.662
  759   HE21  GLN  95          HE21      GLN  95  -3.251   2.774 -11.879
  760   HE22  GLN  95          HE22      GLN  95  -4.045   4.098 -12.713
  761    H    LEU  96           H        LEU  96   1.426   3.316  -8.883
  762    HA   LEU  96           HA       LEU  96   2.979   5.842  -9.106
  763    HB2  LEU  96           HB2      LEU  96   3.838   3.307  -7.692
  764    HB3  LEU  96           HB3      LEU  96   4.465   4.924  -7.501
  765    HG   LEU  96           HG       LEU  96   1.710   3.971  -6.599
  766   HD11  LEU  96          HD11      LEU  96   4.161   4.838  -5.012
  767   HD12  LEU  96          HD12      LEU  96   3.607   3.171  -5.247
  768   HD13  LEU  96          HD13      LEU  96   2.598   4.312  -4.347
  769   HD21  LEU  96          HD21      LEU  96   1.500   6.316  -7.259
  770   HD22  LEU  96          HD22      LEU  96   2.987   6.736  -6.385
  771   HD23  LEU  96          HD23      LEU  96   1.542   6.220  -5.495
  772    H    GLY  97           H        GLY  97   2.681   2.897 -10.816
  773    HA2  GLY  97           HA2      GLY  97   3.700   2.236 -12.781
  774    HA3  GLY  97           HA3      GLY  97   4.792   3.640 -12.675
  775    H    LEU  98           H        LEU  98   4.699   1.513  -9.904
  776    HA   LEU  98           HA       LEU  98   7.533   1.061 -10.156
  777    HB2  LEU  98           HB2      LEU  98   5.430   0.098  -8.192
  778    HB3  LEU  98           HB3      LEU  98   7.121  -0.320  -8.024
  779    HG   LEU  98           HG       LEU  98   6.213   2.592  -8.197
  780   HD11  LEU  98          HD11      LEU  98   5.074   1.592  -6.301
  781   HD12  LEU  98          HD12      LEU  98   6.396   2.608  -5.711
  782   HD13  LEU  98          HD13      LEU  98   6.582   0.836  -5.751
  783   HD21  LEU  98          HD21      LEU  98   8.753   1.250  -7.142
  784   HD22  LEU  98          HD22      LEU  98   8.392   2.983  -7.039
  785   HD23  LEU  98          HD23      LEU  98   8.621   2.228  -8.621
  786    H    GLN  99           H        GLN  99   8.695  -0.830 -10.494
  787    HA   GLN  99           HA       GLN  99   7.388  -2.916 -12.099
  788    HB2  GLN  99           HB2      GLN  99  10.248  -2.657 -11.068
  789    HB3  GLN  99           HB3      GLN  99   9.674  -3.946 -12.122
  790    HG2  GLN  99           HG2      GLN  99   9.646  -0.974 -12.844
  791    HG3  GLN  99           HG3      GLN  99  10.880  -2.130 -13.329
  792   HE21  GLN  99          HE21      GLN  99  10.244  -3.942 -14.773
  793   HE22  GLN  99          HE22      GLN  99   8.840  -3.711 -15.829
  794    H    LYS 100           H        LYS 100   6.855  -4.958 -11.473
  795    HA   LYS 100           HA       LYS 100   5.770  -5.302  -8.973
  796    HB2  LYS 100           HB2      LYS 100   6.615  -7.583 -10.749
  797    HB3  LYS 100           HB3      LYS 100   5.329  -7.529  -9.530
  798    HG2  LYS 100           HG2      LYS 100   4.378  -5.540 -10.999
  799    HG3  LYS 100           HG3      LYS 100   5.421  -6.218 -12.259
  800    HD2  LYS 100           HD2      LYS 100   4.376  -8.445 -11.813
  801    HD3  LYS 100           HD3      LYS 100   3.229  -7.673 -10.713
  802    HE2  LYS 100           HE2      LYS 100   2.443  -6.185 -12.553
  803    HE3  LYS 100           HE3      LYS 100   3.558  -6.977 -13.674
  804    HZ1  LYS 100           HZ1      LYS 100   2.365  -9.042 -13.349
  805    HZ2  LYS 100           HZ2      LYS 100   1.312  -7.886 -13.825
  806    HZ3  LYS 100           HZ3      LYS 100   1.343  -8.357 -12.256
  807    H    LYS 101           H        LYS 101   8.986  -6.320  -9.967
  808    HA   LYS 101           HA       LYS 101   9.780  -8.025  -7.881
  809    HB2  LYS 101           HB2      LYS 101  12.039  -7.565  -8.655
  810    HB3  LYS 101           HB3      LYS 101  10.944  -7.721 -10.028
  811    HG2  LYS 101           HG2      LYS 101  10.847  -5.205 -10.190
  812    HG3  LYS 101           HG3      LYS 101  12.013  -5.102  -8.859
  813    HD2  LYS 101           HD2      LYS 101  13.671  -6.354 -10.212
  814    HD3  LYS 101           HD3      LYS 101  12.498  -6.464 -11.543
  815    HE2  LYS 101           HE2      LYS 101  12.400  -3.979 -11.650
  816    HE3  LYS 101           HE3      LYS 101  13.593  -3.873 -10.343
  817    HZ1  LYS 101           HZ1      LYS 101  15.169  -5.021 -11.813
  818    HZ2  LYS 101           HZ2      LYS 101  14.617  -3.660 -12.540
  819    HZ3  LYS 101           HZ3      LYS 101  14.038  -5.121 -13.000
  820    H    ASN 102           H        ASN 102   9.375  -4.561  -7.646
  821    HA   ASN 102           HA       ASN 102  11.168  -4.180  -5.376
  822    HB2  ASN 102           HB2      ASN 102   8.942  -2.463  -6.557
  823    HB3  ASN 102           HB3      ASN 102  10.006  -1.947  -5.258
  824   HD21  ASN 102          HD21      ASN 102   9.777  -2.504  -8.703
  825   HD22  ASN 102          HD22      ASN 102  11.371  -1.838  -9.082
  826    H    ILE 103           H        ILE 103   8.085  -5.675  -5.546
  827    HA   ILE 103           HA       ILE 103   7.291  -4.722  -2.819
  828    HB   ILE 103           HB       ILE 103   5.547  -5.873  -5.023
  829   HG12  ILE 103          HG12      ILE 103   5.793  -2.944  -4.171
  830   HG13  ILE 103          HG13      ILE 103   6.556  -3.608  -5.614
  831   HG21  ILE 103          HG21      ILE 103   3.693  -4.993  -3.568
  832   HG22  ILE 103          HG22      ILE 103   4.632  -6.224  -2.750
  833   HG23  ILE 103          HG23      ILE 103   4.891  -4.510  -2.357
  834   HD11  ILE 103          HD11      ILE 103   4.570  -2.548  -6.314
  835   HD12  ILE 103          HD12      ILE 103   4.340  -4.298  -6.482
  836   HD13  ILE 103          HD13      ILE 103   3.582  -3.422  -5.129
  837    H    LYS 104           H        LYS 104   7.064  -6.042  -1.208
  838    HA   LYS 104           HA       LYS 104   7.148  -9.015  -1.563
  839    HB2  LYS 104           HB2      LYS 104   7.893  -7.267   0.825
  840    HB3  LYS 104           HB3      LYS 104   7.915  -9.030   0.795
  841    HG2  LYS 104           HG2      LYS 104   9.712  -7.240  -0.883
  842    HG3  LYS 104           HG3      LYS 104  10.143  -8.029   0.636
  843    HD2  LYS 104           HD2      LYS 104   9.565 -10.262  -0.509
  844    HD3  LYS 104           HD3      LYS 104   9.526  -9.345  -2.035
  845    HE2  LYS 104           HE2      LYS 104  11.853  -8.526  -1.529
  846    HE3  LYS 104           HE3      LYS 104  11.856  -9.515  -0.064
  847    HZ1  LYS 104           HZ1      LYS 104  11.622 -11.485  -1.472
  848    HZ2  LYS 104           HZ2      LYS 104  12.957 -10.648  -1.904
  849    HZ3  LYS 104           HZ3      LYS 104  11.613 -10.573  -2.830
  850    H    ILE 105           H        ILE 105   5.337 -10.088  -1.022
  851    HA   ILE 105           HA       ILE 105   3.154  -8.721   0.537
  852    HB   ILE 105           HB       ILE 105   3.023 -10.940  -1.550
  853   HG12  ILE 105          HG12      ILE 105   1.933  -8.080  -1.518
  854   HG13  ILE 105          HG13      ILE 105   3.287  -8.661  -2.488
  855   HG21  ILE 105          HG21      ILE 105   1.413 -11.387   0.287
  856   HG22  ILE 105          HG22      ILE 105   0.790  -9.730   0.119
  857   HG23  ILE 105          HG23      ILE 105   0.573 -10.928  -1.177
  858   HD11  ILE 105          HD11      ILE 105   1.702 -10.257  -3.645
  859   HD12  ILE 105          HD12      ILE 105   0.362  -9.414  -2.820
  860   HD13  ILE 105          HD13      ILE 105   1.406  -8.535  -3.937
  861    H    HIS 106           H        HIS 106   2.690  -9.487   2.478
  862    HA   HIS 106           HA       HIS 106   3.738 -12.172   3.328
  863    HB2  HIS 106           HB2      HIS 106   3.595  -9.636   4.969
  864    HB3  HIS 106           HB3      HIS 106   4.294 -11.168   5.470
  865    HD2  HIS 106           HD2      HIS 106   5.099  -8.000   3.527
  866    HE1  HIS 106           HE1      HIS 106   8.654 -10.343   3.509
  867    HE2  HIS 106           HE2      HIS 106   7.689  -8.043   3.037
  868    H    GLY 107           H        GLY 107   2.742 -12.822   5.494
  869    HA2  GLY 107           HA2      GLY 107  -0.250 -12.526   5.501
  870    HA3  GLY 107           HA3      GLY 107   0.694 -13.836   6.240
  871    H    PHE 108           H        PHE 108  -0.028 -13.662   8.261
  872    HA   PHE 108           HA       PHE 108   0.950 -11.443   9.941
  873    HB2  PHE 108           HB2      PHE 108  -1.128 -11.314  11.196
  874    HB3  PHE 108           HB3      PHE 108  -1.339 -10.804   9.544
  875    HD1  PHE 108           HD2      PHE 108  -2.661 -12.171   7.927
  876    HD2  PHE 108           HD1      PHE 108  -2.306 -13.273  12.081
  877    HE1  PHE 108           HE2      PHE 108  -4.628 -13.664   7.697
  878    HE2  PHE 108           HE1      PHE 108  -4.269 -14.778  11.841
  879    HZ   PHE 108           HZ       PHE 108  -5.438 -14.967   9.655
  Start of MODEL    4
    1    H1   MET   1           H        MET   1 -11.759 -15.532  18.174
    2    H2   MET   1           H2       MET   1 -11.732 -16.795  19.189
    3    H3   MET   1           H3       MET   1 -12.414 -16.965  17.719
    4    HA   MET   1           HA       MET   1 -10.287 -18.065  17.610
    5    HB2  MET   1           HB2      MET   1 -10.039 -15.356  16.245
    6    HB3  MET   1           HB3      MET   1  -9.161 -16.824  15.829
    7    HG2  MET   1           HG2      MET   1 -12.131 -16.291  15.502
    8    HG3  MET   1           HG3      MET   1 -10.940 -16.529  14.248
    9    HE1  MET   1           HE1      MET   1 -10.240 -20.337  14.258
   10    HE2  MET   1           HE2      MET   1  -9.962 -18.774  13.467
   11    HE3  MET   1           HE3      MET   1  -9.273 -19.097  15.075
   12    H    SER   2           H        SER   2  -7.809 -17.767  17.577
   13    HA   SER   2           HA       SER   2  -6.919 -16.713  20.120
   14    HB2  SER   2           HB2      SER   2  -5.256 -17.658  17.757
   15    HB3  SER   2           HB3      SER   2  -4.736 -17.516  19.444
   16    HG   SER   2           HG       SER   2  -5.316 -19.684  18.903
   17    H    ILE   3           H        ILE   3  -6.571 -15.526  16.763
   18    HA   ILE   3           HA       ILE   3  -5.026 -13.140  17.601
   19    HB   ILE   3           HB       ILE   3  -6.205 -13.813  14.879
   20   HG12  ILE   3          HG12      ILE   3  -4.636 -15.578  15.405
   21   HG13  ILE   3          HG13      ILE   3  -3.949 -14.511  14.204
   22   HG21  ILE   3          HG21      ILE   3  -5.726 -11.449  15.064
   23   HG22  ILE   3          HG22      ILE   3  -4.128 -11.762  15.769
   24   HG23  ILE   3          HG23      ILE   3  -4.468 -12.185  14.075
   25   HD11  ILE   3          HD11      ILE   3  -2.516 -13.447  15.947
   26   HD12  ILE   3          HD12      ILE   3  -3.215 -14.542  17.167
   27   HD13  ILE   3          HD13      ILE   3  -2.259 -15.193  15.829
   28    H    GLU   4           H        GLU   4  -6.578 -12.589  19.183
   29    HA   GLU   4           HA       GLU   4  -8.794 -10.839  18.250
   30    HB2  GLU   4           HB2      GLU   4  -9.462 -13.306  18.428
   31    HB3  GLU   4           HB3      GLU   4  -9.219 -13.172  20.163
   32    HG2  GLU   4           HG2      GLU   4 -11.053 -11.630  20.383
   33    HG3  GLU   4           HG3      GLU   4 -11.135 -11.365  18.637
   34    H    ASN   5           H        ASN   5  -6.463 -11.684  20.743
   35    HA   ASN   5           HA       ASN   5  -7.656 -10.363  22.957
   36    HB2  ASN   5           HB2      ASN   5  -5.875 -12.025  23.175
   37    HB3  ASN   5           HB3      ASN   5  -4.743 -10.971  22.315
   38   HD21  ASN   5          HD21      ASN   5  -6.859 -11.048  25.264
   39   HD22  ASN   5          HD22      ASN   5  -5.794 -10.025  26.209
   40    H    LEU   6           H        LEU   6  -7.882  -8.296  23.469
   41    HA   LEU   6           HA       LEU   6  -6.558  -6.189  21.842
   42    HB2  LEU   6           HB2      LEU   6  -8.400  -4.745  22.484
   43    HB3  LEU   6           HB3      LEU   6  -8.917  -6.204  21.670
   44    HG   LEU   6           HG       LEU   6  -9.584  -7.152  23.946
   45   HD11  LEU   6          HD11      LEU   6  -8.401  -5.692  25.513
   46   HD12  LEU   6          HD12      LEU   6 -10.126  -5.425  25.698
   47   HD13  LEU   6          HD13      LEU   6  -9.149  -4.247  24.795
   48   HD21  LEU   6          HD21      LEU   6 -11.702  -5.886  23.947
   49   HD22  LEU   6          HD22      LEU   6 -11.185  -6.257  22.297
   50   HD23  LEU   6          HD23      LEU   6 -10.957  -4.618  22.947
   51    H    LYS   7           H        LYS   7  -6.074  -4.165  22.848
   52    HA   LYS   7           HA       LYS   7  -5.408  -3.923  25.653
   53    HB2  LYS   7           HB2      LYS   7  -3.594  -5.461  24.802
   54    HB3  LYS   7           HB3      LYS   7  -3.125  -4.211  23.648
   55    HG2  LYS   7           HG2      LYS   7  -2.504  -2.705  25.502
   56    HG3  LYS   7           HG3      LYS   7  -3.146  -3.859  26.681
   57    HD2  LYS   7           HD2      LYS   7  -0.736  -4.006  26.638
   58    HD3  LYS   7           HD3      LYS   7  -1.420  -5.509  26.001
   59    HE2  LYS   7           HE2      LYS   7  -0.996  -4.723  23.681
   60    HE3  LYS   7           HE3      LYS   7  -0.370  -3.190  24.305
   61    HZ1  LYS   7           HZ1      LYS   7   1.422  -4.735  23.782
   62    HZ2  LYS   7           HZ2      LYS   7   0.835  -5.857  24.815
   63    HZ3  LYS   7           HZ3      LYS   7   1.416  -4.437  25.388
   64    H    SER   8           H        SER   8  -4.827  -1.756  26.185
   65    HA   SER   8           HA       SER   8  -5.888   0.302  24.587
   66    HB2  SER   8           HB2      SER   8  -3.830   0.558  26.807
   67    HB3  SER   8           HB3      SER   8  -4.939   1.817  26.236
   68    HG   SER   8           HG       SER   8  -5.727   0.768  28.137
   69    H    PHE   9           H        PHE   9  -4.954   2.143  23.593
   70    HA   PHE   9           HA       PHE   9  -2.149   2.147  22.754
   71    HB2  PHE   9           HB2      PHE   9  -2.673   2.100  20.365
   72    HB3  PHE   9           HB3      PHE   9  -3.128   0.604  21.146
   73    HD1  PHE   9           HD1      PHE   9  -5.509  -0.037  21.401
   74    HD2  PHE   9           HD2      PHE   9  -4.368   3.613  19.414
   75    HE1  PHE   9           HE1      PHE   9  -7.792   0.155  20.447
   76    HE2  PHE   9           HE2      PHE   9  -6.653   3.811  18.468
   77    HZ   PHE   9           HZ       PHE   9  -8.371   2.082  18.982
   78    H    ASP  10           H        ASP  10  -1.719   4.083  21.301
   79    HA   ASP  10           HA       ASP  10  -2.433   6.364  22.793
   80    HB2  ASP  10           HB2      ASP  10  -0.300   5.936  21.538
   81    HB3  ASP  10           HB3      ASP  10  -1.149   6.314  20.041
   82    HA   PRO  11           HA       PRO  11  -6.239   7.533  20.789
   83    HB2  PRO  11           HB2      PRO  11  -6.545  10.126  21.694
   84    HB3  PRO  11           HB3      PRO  11  -6.838   8.653  22.658
   85    HG2  PRO  11           HG2      PRO  11  -4.351  10.381  22.617
   86    HG3  PRO  11           HG3      PRO  11  -5.223   9.710  24.029
   87    HD2  PRO  11           HD2      PRO  11  -2.997   8.539  23.012
   88    HD3  PRO  11           HD3      PRO  11  -4.344   7.559  23.656
   89    H    PHE  12           H        PHE  12  -3.265   9.034  19.848
   90    HA   PHE  12           HA       PHE  12  -4.510  10.001  17.331
   91    HB2  PHE  12           HB2      PHE  12  -2.617  11.567  19.129
   92    HB3  PHE  12           HB3      PHE  12  -2.995  12.020  17.476
   93    HD1  PHE  12           HD1      PHE  12  -4.456  11.685  20.871
   94    HD2  PHE  12           HD2      PHE  12  -5.045  13.090  16.844
   95    HE1  PHE  12           HE1      PHE  12  -6.420  13.009  21.625
   96    HE2  PHE  12           HE2      PHE  12  -7.015  14.403  17.591
   97    HZ   PHE  12           HZ       PHE  12  -7.705  14.369  19.981
   98    H    ALA  13           H        ALA  13  -1.912  11.008  16.448
   99    HA   ALA  13           HA       ALA  13  -0.038   8.818  16.205
  100    HB1  ALA  13           HB1      ALA  13  -1.907   7.933  14.814
  101    HB2  ALA  13           HB2      ALA  13  -1.902   9.432  13.859
  102    HB3  ALA  13           HB3      ALA  13  -0.510   8.335  13.815
  103    H    ASP  14           H        ASP  14   1.310   9.399  13.990
  104    HA   ASP  14           HA       ASP  14   1.760  12.310  13.740
  105    HB2  ASP  14           HB2      ASP  14   3.206  11.554  15.621
  106    HB3  ASP  14           HB3      ASP  14   3.941  10.348  14.563
  107    H    THR  15           H        THR  15   2.741  12.921  11.822
  108    HA   THR  15           HA       THR  15   3.764  10.979   9.933
  109    HB   THR  15           HB       THR  15   1.410  10.708   9.487
  110    HG1  THR  15           HG1      THR  15   3.004  10.771   7.779
  111   HG21  THR  15          HG21      THR  15   1.292  13.668   8.765
  112   HG22  THR  15          HG22      THR  15   0.585  12.957  10.233
  113   HG23  THR  15          HG23      THR  15  -0.017  12.471   8.650
  114    H    GLY  16           H        GLY  16   5.091  11.800   8.441
  115    HA2  GLY  16           HA2      GLY  16   6.072  14.570   8.893
  116    HA3  GLY  16           HA3      GLY  16   6.902  13.240   8.063
  117    H    ASP  17           H        ASP  17   7.475  14.391   6.310
  118    HA   ASP  17           HA       ASP  17   5.371  15.036   4.298
  119    HB2  ASP  17           HB2      ASP  17   7.818  16.719   4.987
  120    HB3  ASP  17           HB3      ASP  17   6.836  16.931   3.542
  121    H    ASP  18           H        ASP  18   6.227  14.986   2.069
  122    HA   ASP  18           HA       ASP  18   7.844  12.649   1.621
  123    HB2  ASP  18           HB2      ASP  18   7.450  13.041  -0.722
  124    HB3  ASP  18           HB3      ASP  18   5.955  13.224   0.182
  125    H    GLU  19           H        GLU  19   9.789  12.453   0.428
  126    HA   GLU  19           HA       GLU  19  11.589  14.770   0.151
  127    HB2  GLU  19           HB2      GLU  19  11.721  14.169   2.557
  128    HB3  GLU  19           HB3      GLU  19  12.102  12.506   2.124
  129    HG2  GLU  19           HG2      GLU  19  14.094  13.709   2.833
  130    HG3  GLU  19           HG3      GLU  19  14.252  13.217   1.157
  131    H    THR  20           H        THR  20  13.471  14.312  -1.080
  132    HA   THR  20           HA       THR  20  13.021  12.274  -3.104
  133    HB   THR  20           HB       THR  20  15.357  14.199  -2.851
  134    HG1  THR  20           HG1      THR  20  14.057  15.525  -4.142
  135   HG21  THR  20          HG21      THR  20  14.101  12.767  -5.253
  136   HG22  THR  20          HG22      THR  20  15.694  12.407  -4.555
  137   HG23  THR  20          HG23      THR  20  15.410  13.968  -5.331
  138    H    ALA  21           H        ALA  21  13.130  10.471  -1.675
  139    HA   ALA  21           HA       ALA  21  15.686   9.081  -1.925
  140    HB1  ALA  21           HB1      ALA  21  15.766   8.445   0.500
  141    HB2  ALA  21           HB2      ALA  21  16.035  10.174   0.236
  142    HB3  ALA  21           HB3      ALA  21  14.462   9.607   0.818
  143    H    THR  22           H        THR  22  15.483   6.767  -1.326
  144    HA   THR  22           HA       THR  22  12.800   5.584  -1.579
  145    HB   THR  22           HB       THR  22  13.421   6.381  -3.850
  146    HG1  THR  22           HG1      THR  22  12.882   4.422  -4.812
  147   HG21  THR  22          HG21      THR  22  15.885   5.999  -3.766
  148   HG22  THR  22          HG22      THR  22  15.124   5.197  -5.145
  149   HG23  THR  22          HG23      THR  22  15.601   4.244  -3.727
  150    H    SER  23           H        SER  23  13.027   3.202  -2.059
  151    HA   SER  23           HA       SER  23  15.209   1.851  -0.570
  152    HB2  SER  23           HB2      SER  23  12.262   1.654   0.183
  153    HB3  SER  23           HB3      SER  23  13.522   0.542   0.743
  154    HG   SER  23           HG       SER  23  13.081   2.235   2.261
  155    H    ASN  24           H        ASN  24  15.545  -0.272  -1.302
  156    HA   ASN  24           HA       ASN  24  14.589  -0.840  -3.927
  157    HB2  ASN  24           HB2      ASN  24  16.824  -1.450  -2.986
  158    HB3  ASN  24           HB3      ASN  24  16.046  -2.686  -1.992
  159   HD21  ASN  24          HD21      ASN  24  15.468  -4.697  -3.000
  160   HD22  ASN  24          HD22      ASN  24  15.805  -5.005  -4.691
  161    H    TYR  25           H        TYR  25  13.494  -2.019  -0.770
  162    HA   TYR  25           HA       TYR  25  11.395  -3.640  -2.124
  163    HB2  TYR  25           HB2      TYR  25  12.854  -4.252   0.452
  164    HB3  TYR  25           HB3      TYR  25  11.383  -5.068  -0.069
  165    HD1  TYR  25           HD2      TYR  25  11.406  -6.006  -2.561
  166    HD2  TYR  25           HD1      TYR  25  14.898  -5.306  -0.129
  167    HE1  TYR  25           HE2      TYR  25  12.701  -7.588  -3.974
  168    HE2  TYR  25           HE1      TYR  25  16.187  -6.930  -1.509
  169    HH   TYR  25           HH       TYR  25  14.731  -8.623  -4.323
  170    H    ILE  26           H        ILE  26   9.393  -3.499  -1.551
  171    HA   ILE  26           HA       ILE  26   8.444  -1.601   0.570
  172    HB   ILE  26           HB       ILE  26   7.123  -2.478  -2.044
  173   HG12  ILE  26          HG12      ILE  26   8.515   0.125  -1.309
  174   HG13  ILE  26          HG13      ILE  26   9.029  -1.035  -2.526
  175   HG21  ILE  26          HG21      ILE  26   6.229  -0.405   0.011
  176   HG22  ILE  26          HG22      ILE  26   5.395  -0.788  -1.510
  177   HG23  ILE  26          HG23      ILE  26   5.484  -1.995  -0.244
  178   HD11  ILE  26          HD11      ILE  26   8.050   0.775  -3.690
  179   HD12  ILE  26          HD12      ILE  26   6.937  -0.603  -3.816
  180   HD13  ILE  26          HD13      ILE  26   6.587   0.744  -2.696
  181    H    HIS  27           H        HIS  27   7.007  -2.466   2.062
  182    HA   HIS  27           HA       HIS  27   6.669  -5.445   1.931
  183    HB2  HIS  27           HB2      HIS  27   7.241  -3.646   4.308
  184    HB3  HIS  27           HB3      HIS  27   7.055  -5.397   4.357
  185    HD2  HIS  27           HD2      HIS  27   9.632  -2.745   4.025
  186    HE1  HIS  27           HE1      HIS  27  11.540  -6.204   2.444
  187    HE2  HIS  27           HE2      HIS  27  11.903  -3.809   3.239
  188    H    ILE  28           H        ILE  28   4.588  -5.914   1.582
  189    HA   ILE  28           HA       ILE  28   2.458  -4.315   2.994
  190    HB   ILE  28           HB       ILE  28   2.080  -6.184   0.631
  191   HG12  ILE  28          HG12      ILE  28   2.126  -3.125   0.636
  192   HG13  ILE  28          HG13      ILE  28   3.452  -4.128   0.046
  193   HG21  ILE  28          HG21      ILE  28   0.065  -5.944   2.054
  194   HG22  ILE  28          HG22      ILE  28   0.242  -4.179   2.066
  195   HG23  ILE  28          HG23      ILE  28  -0.180  -5.020   0.578
  196   HD11  ILE  28          HD11      ILE  28   2.196  -3.408  -1.844
  197   HD12  ILE  28          HD12      ILE  28   1.944  -5.156  -1.635
  198   HD13  ILE  28          HD13      ILE  28   0.681  -4.004  -1.154
  199    H    ARG  29           H        ARG  29   1.955  -5.117   4.826
  200    HA   ARG  29           HA       ARG  29   2.211  -8.035   5.428
  201    HB2  ARG  29           HB2      ARG  29   2.534  -5.599   7.233
  202    HB3  ARG  29           HB3      ARG  29   2.813  -7.279   7.688
  203    HG2  ARG  29           HG2      ARG  29   4.753  -7.378   6.148
  204    HG3  ARG  29           HG3      ARG  29   4.428  -5.729   5.603
  205    HD2  ARG  29           HD2      ARG  29   6.202  -5.578   7.129
  206    HD3  ARG  29           HD3      ARG  29   4.782  -4.918   7.951
  207    HE   ARG  29           HE       ARG  29   4.868  -7.622   8.661
  208   HH11  ARG  29          HH11      ARG  29   7.061  -4.872   9.075
  209   HH12  ARG  29          HH12      ARG  29   7.854  -5.609  10.443
  210   HH21  ARG  29          HH21      ARG  29   5.889  -8.474  10.464
  211   HH22  ARG  29          HH22      ARG  29   7.174  -7.600  11.237
  212    H    ILE  30           H        ILE  30   0.772  -8.744   7.244
  213    HA   ILE  30           HA       ILE  30  -1.719  -7.097   7.564
  214    HB   ILE  30           HB       ILE  30  -1.512 -10.111   7.347
  215   HG12  ILE  30          HG12      ILE  30  -3.089  -8.041   5.744
  216   HG13  ILE  30          HG13      ILE  30  -1.609  -8.829   5.199
  217   HG21  ILE  30          HG21      ILE  30  -3.032  -9.549   9.211
  218   HG22  ILE  30          HG22      ILE  30  -3.907  -8.410   8.159
  219   HG23  ILE  30          HG23      ILE  30  -3.950 -10.156   7.856
  220   HD11  ILE  30          HD11      ILE  30  -3.490  -9.879   4.138
  221   HD12  ILE  30          HD12      ILE  30  -2.754 -11.039   5.264
  222   HD13  ILE  30          HD13      ILE  30  -4.274 -10.208   5.681
  223    H    GLN  31           H        GLN  31  -2.479  -6.887   9.591
  224    HA   GLN  31           HA       GLN  31  -0.394  -7.173  11.684
  225    HB2  GLN  31           HB2      GLN  31  -1.514  -4.950  10.856
  226    HB3  GLN  31           HB3      GLN  31  -2.929  -5.505  11.753
  227    HG2  GLN  31           HG2      GLN  31  -1.244  -5.716  13.778
  228    HG3  GLN  31           HG3      GLN  31  -0.183  -4.718  12.785
  229   HE21  GLN  31          HE21      GLN  31  -3.262  -4.878  14.559
  230   HE22  GLN  31          HE22      GLN  31  -3.522  -3.132  14.578
  231    H    GLN  32           H        GLN  32  -0.952  -7.826  13.843
  232    HA   GLN  32           HA       GLN  32  -3.045  -9.791  14.165
  233    HB2  GLN  32           HB2      GLN  32  -1.408  -8.284  16.268
  234    HB3  GLN  32           HB3      GLN  32  -2.425  -9.689  16.547
  235    HG2  GLN  32           HG2      GLN  32  -0.273 -10.579  16.484
  236    HG3  GLN  32           HG3      GLN  32  -0.945 -10.985  14.912
  237   HE21  GLN  32          HE21      GLN  32   1.586 -11.291  14.667
  238   HE22  GLN  32          HE22      GLN  32   2.435  -9.869  14.080
  239    H    ARG  33           H        ARG  33  -5.004  -9.606  15.165
  240    HA   ARG  33           HA       ARG  33  -6.334  -7.039  14.935
  241    HB2  ARG  33           HB2      ARG  33  -7.257  -9.152  14.099
  242    HB3  ARG  33           HB3      ARG  33  -7.324  -9.794  15.744
  243    HG2  ARG  33           HG2      ARG  33  -9.037  -8.185  16.370
  244    HG3  ARG  33           HG3      ARG  33  -8.836  -7.307  14.848
  245    HD2  ARG  33           HD2      ARG  33 -10.851  -8.696  14.818
  246    HD3  ARG  33           HD3      ARG  33  -9.700  -9.231  13.591
  247    HE   ARG  33           HE       ARG  33  -8.982 -10.990  15.320
  248   HH11  ARG  33          HH11      ARG  33 -12.370  -9.889  15.293
  249   HH12  ARG  33          HH12      ARG  33 -12.908 -11.410  15.950
  250   HH21  ARG  33          HH21      ARG  33  -9.707 -12.757  16.143
  251   HH22  ARG  33          HH22      ARG  33 -11.387 -12.993  16.587
  252    H    ASN  34           H        ASN  34  -5.073  -5.964  16.577
  253    HA   ASN  34           HA       ASN  34  -5.749  -6.414  19.403
  254    HB2  ASN  34           HB2      ASN  34  -3.556  -5.497  18.666
  255    HB3  ASN  34           HB3      ASN  34  -4.372  -4.062  18.036
  256   HD21  ASN  34          HD21      ASN  34  -4.867  -2.375  19.527
  257   HD22  ASN  34          HD22      ASN  34  -4.664  -2.551  21.263
  258    H    GLY  35           H        GLY  35  -6.927  -4.405  16.745
  259    HA2  GLY  35           HA2      GLY  35  -8.980  -3.026  18.408
  260    HA3  GLY  35           HA3      GLY  35  -8.671  -2.803  16.672
  261    H    ARG  36           H        ARG  36 -11.078  -2.957  16.673
  262    HA   ARG  36           HA       ARG  36 -12.424  -5.408  17.245
  263    HB2  ARG  36           HB2      ARG  36 -13.448  -3.135  17.128
  264    HB3  ARG  36           HB3      ARG  36 -13.226  -3.128  15.384
  265    HG2  ARG  36           HG2      ARG  36 -15.544  -3.644  16.027
  266    HG3  ARG  36           HG3      ARG  36 -14.818  -4.956  15.111
  267    HD2  ARG  36           HD2      ARG  36 -16.176  -5.818  16.951
  268    HD3  ARG  36           HD3      ARG  36 -14.480  -6.258  17.169
  269    HE   ARG  36           HE       ARG  36 -15.274  -3.779  18.520
  270   HH11  ARG  36          HH11      ARG  36 -15.139  -7.288  18.951
  271   HH12  ARG  36          HH12      ARG  36 -15.103  -7.164  20.686
  272   HH21  ARG  36          HH21      ARG  36 -15.217  -3.690  20.756
  273   HH22  ARG  36          HH22      ARG  36 -15.159  -5.154  21.689
  274    H    LYS  37           H        LYS  37 -10.708  -4.361  14.356
  275    HA   LYS  37           HA       LYS  37 -11.326  -6.921  12.967
  276    HB2  LYS  37           HB2      LYS  37 -12.941  -5.119  12.310
  277    HB3  LYS  37           HB3      LYS  37 -11.584  -4.157  11.715
  278    HG2  LYS  37           HG2      LYS  37 -11.115  -5.814   9.976
  279    HG3  LYS  37           HG3      LYS  37 -12.252  -6.960  10.704
  280    HD2  LYS  37           HD2      LYS  37 -13.243  -5.952   8.732
  281    HD3  LYS  37           HD3      LYS  37 -14.134  -5.451  10.178
  282    HE2  LYS  37           HE2      LYS  37 -12.883  -3.286  10.181
  283    HE3  LYS  37           HE3      LYS  37 -12.007  -3.797   8.732
  284    HZ1  LYS  37           HZ1      LYS  37 -14.945  -3.399   8.902
  285    HZ2  LYS  37           HZ2      LYS  37 -14.134  -3.852   7.552
  286    HZ3  LYS  37           HZ3      LYS  37 -13.879  -2.368   8.207
  287    H    THR  38           H        THR  38  -9.864  -7.511  11.316
  288    HA   THR  38           HA       THR  38  -7.082  -7.081  11.856
  289    HB   THR  38           HB       THR  38  -8.479  -8.413   9.496
  290    HG1  THR  38           HG1      THR  38  -8.255 -10.256  10.828
  291   HG21  THR  38          HG21      THR  38  -5.675  -8.780  10.642
  292   HG22  THR  38          HG22      THR  38  -6.096  -8.166   9.023
  293   HG23  THR  38          HG23      THR  38  -6.432  -9.847   9.441
  294    H    LEU  39           H        LEU  39  -5.473  -6.113  10.569
  295    HA   LEU  39           HA       LEU  39  -6.391  -4.076   8.572
  296    HB2  LEU  39           HB2      LEU  39  -4.316  -3.739  10.784
  297    HB3  LEU  39           HB3      LEU  39  -4.730  -2.526   9.578
  298    HG   LEU  39           HG       LEU  39  -6.661  -3.588  11.693
  299   HD11  LEU  39          HD11      LEU  39  -5.140  -0.956  11.623
  300   HD12  LEU  39          HD12      LEU  39  -4.790  -2.329  12.691
  301   HD13  LEU  39          HD13      LEU  39  -6.326  -1.463  12.841
  302   HD21  LEU  39          HD21      LEU  39  -7.863  -2.748   9.730
  303   HD22  LEU  39          HD22      LEU  39  -6.896  -1.254   9.735
  304   HD23  LEU  39          HD23      LEU  39  -8.029  -1.600  11.060
  305    H    THR  40           H        THR  40  -5.035  -3.597   6.912
  306    HA   THR  40           HA       THR  40  -2.660  -5.341   6.384
  307    HB   THR  40           HB       THR  40  -4.303  -3.499   4.615
  308    HG1  THR  40           HG1      THR  40  -5.093  -5.552   5.198
  309   HG21  THR  40          HG21      THR  40  -1.939  -3.400   3.836
  310   HG22  THR  40          HG22      THR  40  -2.928  -4.379   2.743
  311   HG23  THR  40          HG23      THR  40  -1.845  -5.177   3.903
  312    H    THR  41           H        THR  41  -0.740  -4.576   6.990
  313    HA   THR  41           HA       THR  41  -0.350  -1.673   7.505
  314    HB   THR  41           HB       THR  41   1.802  -2.688   8.642
  315    HG1  THR  41           HG1      THR  41   1.307  -4.692   9.580
  316   HG21  THR  41          HG21      THR  41  -1.010  -2.851   9.825
  317   HG22  THR  41          HG22      THR  41  -0.004  -1.393   9.725
  318   HG23  THR  41          HG23      THR  41   0.512  -2.745  10.746
  319    H    VAL  42           H        VAL  42   0.510  -0.571   5.990
  320    HA   VAL  42           HA       VAL  42   2.326  -1.858   3.988
  321    HB   VAL  42           HB       VAL  42   1.240   0.965   3.875
  322   HG11  VAL  42          HG11      VAL  42   1.767   0.744   1.459
  323   HG12  VAL  42          HG12      VAL  42   3.215   0.564   2.455
  324   HG13  VAL  42          HG13      VAL  42   2.443  -0.873   1.757
  325   HG21  VAL  42          HG21      VAL  42   0.074  -1.559   2.632
  326   HG22  VAL  42          HG22      VAL  42  -0.698  -0.550   3.875
  327   HG23  VAL  42          HG23      VAL  42  -0.439   0.108   2.262
  328    H    GLN  43           H        GLN  43   4.413  -1.594   4.069
  329    HA   GLN  43           HA       GLN  43   5.737   0.595   5.616
  330    HB2  GLN  43           HB2      GLN  43   5.441  -1.397   7.041
  331    HB3  GLN  43           HB3      GLN  43   6.127  -2.430   5.797
  332    HG2  GLN  43           HG2      GLN  43   8.332  -1.310   6.101
  333    HG3  GLN  43           HG3      GLN  43   7.611  -0.247   7.318
  334   HE21  GLN  43          HE21      GLN  43   9.547  -1.276   8.518
  335   HE22  GLN  43          HE22      GLN  43   9.245  -2.809   9.323
  336    H    GLY  44           H        GLY  44   8.066   0.831   4.968
  337    HA2  GLY  44           HA2      GLY  44   9.903   0.679   3.599
  338    HA3  GLY  44           HA3      GLY  44   9.167  -0.740   2.828
  339    H    VAL  45           H        VAL  45   6.828   1.198   2.137
  340    HA   VAL  45           HA       VAL  45   7.389   1.840  -0.492
  341    HB   VAL  45           HB       VAL  45   5.164   1.906   0.388
  342   HG11  VAL  45          HG11      VAL  45   5.539   3.070   2.553
  343   HG12  VAL  45          HG12      VAL  45   5.764   4.599   1.671
  344   HG13  VAL  45          HG13      VAL  45   4.207   3.757   1.614
  345   HG21  VAL  45          HG21      VAL  45   4.290   3.786  -0.890
  346   HG22  VAL  45          HG22      VAL  45   5.873   4.587  -0.877
  347   HG23  VAL  45          HG23      VAL  45   5.645   3.050  -1.750
  348    HA   PRO  46           HA       PRO  46  10.605   4.908  -0.427
  349    HB2  PRO  46           HB2      PRO  46   9.147   5.862  -2.904
  350    HB3  PRO  46           HB3      PRO  46  10.883   5.743  -2.656
  351    HG2  PRO  46           HG2      PRO  46   9.636   3.761  -3.974
  352    HG3  PRO  46           HG3      PRO  46  10.769   3.308  -2.658
  353    HD2  PRO  46           HD2      PRO  46   7.752   3.482  -2.551
  354    HD3  PRO  46           HD3      PRO  46   8.857   2.230  -1.906
  355    H    GLU  47           H        GLU  47  10.884   6.906   0.477
  356    HA   GLU  47           HA       GLU  47   8.525   8.241   1.461
  357    HB2  GLU  47           HB2      GLU  47  10.039   9.614   2.752
  358    HB3  GLU  47           HB3      GLU  47  10.434   7.903   2.876
  359    HG2  GLU  47           HG2      GLU  47  12.276   8.273   1.174
  360    HG3  GLU  47           HG3      GLU  47  11.937  10.005   1.273
  361    H    GLU  48           H        GLU  48  10.023   8.590  -1.486
  362    HA   GLU  48           HA       GLU  48   9.398  11.407  -1.928
  363    HB2  GLU  48           HB2      GLU  48   9.776  10.957  -4.265
  364    HB3  GLU  48           HB3      GLU  48  11.089  10.305  -3.292
  365    HG2  GLU  48           HG2      GLU  48  10.204   8.029  -3.546
  366    HG3  GLU  48           HG3      GLU  48   8.796   8.638  -4.424
  367    H    TYR  49           H        TYR  49   7.476   8.536  -1.681
  368    HA   TYR  49           HA       TYR  49   5.103   9.832  -2.925
  369    HB2  TYR  49           HB2      TYR  49   5.432   7.057  -1.724
  370    HB3  TYR  49           HB3      TYR  49   4.026   7.681  -2.561
  371    HD1  TYR  49           HD1      TYR  49   4.428   8.507  -5.057
  372    HD2  TYR  49           HD2      TYR  49   7.013   5.790  -2.926
  373    HE1  TYR  49           HE1      TYR  49   5.296   7.640  -7.220
  374    HE2  TYR  49           HE2      TYR  49   7.882   4.928  -5.084
  375    HH   TYR  49           HH       TYR  49   6.701   6.118  -8.251
  376    H    ASP  50           H        ASP  50   3.706  10.920  -1.617
  377    HA   ASP  50           HA       ASP  50   4.056  10.915   1.289
  378    HB2  ASP  50           HB2      ASP  50   3.468  12.957  -0.027
  379    HB3  ASP  50           HB3      ASP  50   1.901  12.236  -0.392
  380    H    LEU  51           H        LEU  51   2.944   9.784   2.763
  381    HA   LEU  51           HA       LEU  51   1.356   7.514   2.028
  382    HB2  LEU  51           HB2      LEU  51   1.590   8.954   4.699
  383    HB3  LEU  51           HB3      LEU  51   0.963   7.321   4.456
  384    HG   LEU  51           HG       LEU  51   3.830   8.286   4.130
  385   HD11  LEU  51          HD11      LEU  51   2.937   7.919   6.418
  386   HD12  LEU  51          HD12      LEU  51   4.249   6.792   6.015
  387   HD13  LEU  51          HD13      LEU  51   2.560   6.237   5.999
  388   HD21  LEU  51          HD21      LEU  51   3.461   6.602   2.371
  389   HD22  LEU  51          HD22      LEU  51   2.756   5.485   3.565
  390   HD23  LEU  51          HD23      LEU  51   4.465   5.943   3.665
  391    H    LYS  52           H        LYS  52   0.418  10.777   3.136
  392    HA   LYS  52           HA       LYS  52  -2.397  10.328   3.267
  393    HB2  LYS  52           HB2      LYS  52  -0.774  12.852   2.718
  394    HB3  LYS  52           HB3      LYS  52  -2.524  12.822   2.866
  395    HG2  LYS  52           HG2      LYS  52  -1.907  13.421   4.995
  396    HG3  LYS  52           HG3      LYS  52  -2.209  11.698   5.149
  397    HD2  LYS  52           HD2      LYS  52  -0.269  12.104   6.409
  398    HD3  LYS  52           HD3      LYS  52   0.348  11.388   4.933
  399    HE2  LYS  52           HE2      LYS  52   0.659  13.860   4.122
  400    HE3  LYS  52           HE3      LYS  52   0.419  14.285   5.828
  401    HZ1  LYS  52           HZ1      LYS  52   2.741  13.975   5.543
  402    HZ2  LYS  52           HZ2      LYS  52   2.537  12.635   4.617
  403    HZ3  LYS  52           HZ3      LYS  52   2.255  12.583   6.251
  404    H    ARG  53           H        ARG  53  -0.359  10.971   0.398
  405    HA   ARG  53           HA       ARG  53  -2.613  11.238  -1.406
  406    HB2  ARG  53           HB2      ARG  53  -0.383  12.090  -1.993
  407    HB3  ARG  53           HB3      ARG  53   0.279  10.460  -1.960
  408    HG2  ARG  53           HG2      ARG  53  -0.090  11.201  -4.246
  409    HG3  ARG  53           HG3      ARG  53  -1.081   9.790  -3.875
  410    HD2  ARG  53           HD2      ARG  53  -3.064  11.261  -3.573
  411    HD3  ARG  53           HD3      ARG  53  -2.053  12.680  -3.931
  412    HE   ARG  53           HE       ARG  53  -1.760  10.839  -6.060
  413   HH11  ARG  53          HH11      ARG  53  -4.317  12.910  -4.762
  414   HH12  ARG  53          HH12      ARG  53  -5.131  13.019  -6.294
  415   HH21  ARG  53          HH21      ARG  53  -2.852  11.030  -8.008
  416   HH22  ARG  53          HH22      ARG  53  -4.308  11.974  -8.104
  417    H    ILE  54           H        ILE  54  -0.689   8.451  -0.243
  418    HA   ILE  54           HA       ILE  54  -1.925   6.421  -1.904
  419    HB   ILE  54           HB       ILE  54  -0.646   6.189   0.839
  420   HG12  ILE  54          HG12      ILE  54   0.485   5.659  -1.945
  421   HG13  ILE  54          HG13      ILE  54   0.846   7.075  -0.975
  422   HG21  ILE  54          HG21      ILE  54  -1.520   4.068  -1.162
  423   HG22  ILE  54          HG22      ILE  54  -0.477   3.749   0.241
  424   HG23  ILE  54          HG23      ILE  54  -2.121   4.309   0.487
  425   HD11  ILE  54          HD11      ILE  54   2.679   5.586  -0.756
  426   HD12  ILE  54          HD12      ILE  54   1.823   5.596   0.797
  427   HD13  ILE  54          HD13      ILE  54   1.635   4.225  -0.320
  428    H    LEU  55           H        LEU  55  -2.799   7.654   1.405
  429    HA   LEU  55           HA       LEU  55  -5.187   6.179   1.686
  430    HB2  LEU  55           HB2      LEU  55  -4.830   9.078   2.568
  431    HB3  LEU  55           HB3      LEU  55  -5.954   7.888   3.178
  432    HG   LEU  55           HG       LEU  55  -3.006   8.141   3.717
  433   HD11  LEU  55          HD11      LEU  55  -5.437   7.795   5.513
  434   HD12  LEU  55          HD12      LEU  55  -4.643   9.339   5.126
  435   HD13  LEU  55          HD13      LEU  55  -3.774   8.102   6.044
  436   HD21  LEU  55          HD21      LEU  55  -3.194   5.787   3.218
  437   HD22  LEU  55          HD22      LEU  55  -4.659   5.639   4.238
  438   HD23  LEU  55          HD23      LEU  55  -3.078   6.012   4.966
  439    H    LYS  56           H        LYS  56  -4.780   9.378   0.039
  440    HA   LYS  56           HA       LYS  56  -7.556   9.669  -0.582
  441    HB2  LYS  56           HB2      LYS  56  -5.028  10.811  -1.842
  442    HB3  LYS  56           HB3      LYS  56  -6.636  11.263  -2.389
  443    HG2  LYS  56           HG2      LYS  56  -5.709  11.618   0.494
  444    HG3  LYS  56           HG3      LYS  56  -5.542  12.847  -0.764
  445    HD2  LYS  56           HD2      LYS  56  -8.028  12.851  -1.074
  446    HD3  LYS  56           HD3      LYS  56  -8.172  11.635   0.198
  447    HE2  LYS  56           HE2      LYS  56  -8.676  13.716   1.214
  448    HE3  LYS  56           HE3      LYS  56  -7.092  13.216   1.814
  449    HZ1  LYS  56           HZ1      LYS  56  -7.555  15.209  -0.344
  450    HZ2  LYS  56           HZ2      LYS  56  -6.084  14.778   0.233
  451    HZ3  LYS  56           HZ3      LYS  56  -7.141  15.566   1.194
  452    H    VAL  57           H        VAL  57  -4.973   8.062  -2.465
  453    HA   VAL  57           HA       VAL  57  -6.730   7.521  -4.714
  454    HB   VAL  57           HB       VAL  57  -4.194   6.040  -3.924
  455   HG11  VAL  57          HG11      VAL  57  -5.919   5.973  -6.448
  456   HG12  VAL  57          HG12      VAL  57  -4.246   5.412  -6.418
  457   HG13  VAL  57          HG13      VAL  57  -5.451   4.599  -5.417
  458   HG21  VAL  57          HG21      VAL  57  -3.129   7.419  -5.651
  459   HG22  VAL  57          HG22      VAL  57  -4.673   8.241  -5.982
  460   HG23  VAL  57          HG23      VAL  57  -3.857   8.460  -4.426
  461    H    LEU  58           H        LEU  58  -5.746   5.481  -1.897
  462    HA   LEU  58           HA       LEU  58  -7.317   3.221  -2.752
  463    HB2  LEU  58           HB2      LEU  58  -6.189   3.935  -0.020
  464    HB3  LEU  58           HB3      LEU  58  -6.822   2.355  -0.480
  465    HG   LEU  58           HG       LEU  58  -4.370   3.701  -1.714
  466   HD11  LEU  58          HD11      LEU  58  -4.587   1.285   0.100
  467   HD12  LEU  58          HD12      LEU  58  -4.067   2.900   0.620
  468   HD13  LEU  58          HD13      LEU  58  -3.095   1.985  -0.551
  469   HD21  LEU  58          HD21      LEU  58  -3.970   1.461  -2.754
  470   HD22  LEU  58          HD22      LEU  58  -5.329   2.357  -3.432
  471   HD23  LEU  58          HD23      LEU  58  -5.627   1.003  -2.306
  472    H    LYS  59           H        LYS  59  -8.212   5.995  -0.711
  473    HA   LYS  59           HA       LYS  59 -10.781   4.835   0.048
  474    HB2  LYS  59           HB2      LYS  59  -9.638   7.653   0.154
  475    HB3  LYS  59           HB3      LYS  59 -11.247   7.222   0.754
  476    HG2  LYS  59           HG2      LYS  59 -10.307   5.583   2.300
  477    HG3  LYS  59           HG3      LYS  59  -8.673   5.898   1.727
  478    HD2  LYS  59           HD2      LYS  59  -8.886   8.294   2.441
  479    HD3  LYS  59           HD3      LYS  59 -10.481   7.914   3.130
  480    HE2  LYS  59           HE2      LYS  59  -9.410   6.189   4.583
  481    HE3  LYS  59           HE3      LYS  59  -7.828   6.601   3.908
  482    HZ1  LYS  59           HZ1      LYS  59  -8.109   8.843   4.850
  483    HZ2  LYS  59           HZ2      LYS  59  -8.204   7.700   6.024
  484    HZ3  LYS  59           HZ3      LYS  59  -9.563   8.436   5.481
  485    H    LYS  60           H        LYS  60  -9.728   6.675  -2.781
  486    HA   LYS  60           HA       LYS  60 -12.545   7.092  -3.656
  487    HB2  LYS  60           HB2      LYS  60  -9.857   7.989  -4.767
  488    HB3  LYS  60           HB3      LYS  60 -11.389   8.327  -5.548
  489    HG2  LYS  60           HG2      LYS  60 -10.597   9.255  -2.749
  490    HG3  LYS  60           HG3      LYS  60 -10.538  10.233  -4.208
  491    HD2  LYS  60           HD2      LYS  60 -13.054   9.120  -2.888
  492    HD3  LYS  60           HD3      LYS  60 -12.478  10.786  -2.846
  493    HE2  LYS  60           HE2      LYS  60 -12.703  10.927  -5.331
  494    HE3  LYS  60           HE3      LYS  60 -13.347   9.280  -5.358
  495    HZ1  LYS  60           HZ1      LYS  60 -15.123  10.922  -5.355
  496    HZ2  LYS  60           HZ2      LYS  60 -14.600  11.577  -3.956
  497    HZ3  LYS  60           HZ3      LYS  60 -15.196  10.054  -3.974
  498    H    ASP  61           H        ASP  61  -9.631   5.426  -4.971
  499    HA   ASP  61           HA       ASP  61 -11.149   4.458  -7.263
  500    HB2  ASP  61           HB2      ASP  61  -8.741   5.203  -7.291
  501    HB3  ASP  61           HB3      ASP  61  -8.324   3.754  -6.387
  502    H    PHE  62           H        PHE  62  -9.759   2.924  -4.340
  503    HA   PHE  62           HA       PHE  62 -10.934   0.291  -5.038
  504    HB2  PHE  62           HB2      PHE  62  -9.111   1.206  -2.774
  505    HB3  PHE  62           HB3      PHE  62  -9.725  -0.414  -2.953
  506    HD1  PHE  62           HD2      PHE  62  -7.670   2.174  -4.756
  507    HD2  PHE  62           HD1      PHE  62  -8.540  -2.013  -4.191
  508    HE1  PHE  62           HE2      PHE  62  -5.702   1.587  -6.117
  509    HE2  PHE  62           HE1      PHE  62  -6.528  -2.597  -5.519
  510    HZ   PHE  62           HZ       PHE  62  -5.108  -0.814  -6.491
  511    H    ALA  63           H        ALA  63 -11.931   3.075  -3.416
  512    HA   ALA  63           HA       ALA  63 -13.531   3.634  -1.907
  513    HB1  ALA  63           HB1      ALA  63 -14.925   2.499  -3.620
  514    HB2  ALA  63           HB2      ALA  63 -14.812   0.987  -2.690
  515    HB3  ALA  63           HB3      ALA  63 -15.619   2.402  -1.992
  516    H    CYS  64           H        CYS  64 -11.186   2.416  -0.791
  517    HA   CYS  64           HA       CYS  64 -12.122   0.581   1.346
  518    HB2  CYS  64           HB2      CYS  64 -10.075   0.258  -0.265
  519    HB3  CYS  64           HB3      CYS  64  -9.250   1.410   0.797
  520    HG   CYS  64           HG       CYS  64 -10.811  -1.455   1.542
  521    H    ASN  65           H        ASN  65 -10.234   1.171   3.338
  522    HA   ASN  65           HA       ASN  65 -10.444   4.015   4.027
  523    HB2  ASN  65           HB2      ASN  65 -12.619   3.073   4.809
  524    HB3  ASN  65           HB3      ASN  65 -11.744   1.905   5.800
  525   HD21  ASN  65          HD21      ASN  65 -12.520   5.370   5.377
  526   HD22  ASN  65          HD22      ASN  65 -12.027   5.837   6.993
  527    H    GLY  66           H        GLY  66  -8.952   4.663   5.634
  528    HA2  GLY  66           HA2      GLY  66  -7.287   2.873   7.101
  529    HA3  GLY  66           HA3      GLY  66  -6.464   3.330   5.632
  530    H    ASN  67           H        ASN  67  -5.168   3.877   7.677
  531    HA   ASN  67           HA       ASN  67  -5.071   6.800   7.964
  532    HB2  ASN  67           HB2      ASN  67  -6.704   6.023   9.723
  533    HB3  ASN  67           HB3      ASN  67  -5.434   4.987  10.383
  534   HD21  ASN  67          HD21      ASN  67  -5.362   6.027  12.428
  535   HD22  ASN  67          HD22      ASN  67  -4.743   7.660  12.597
  536    H    ILE  68           H        ILE  68  -3.119   7.442   9.273
  537    HA   ILE  68           HA       ILE  68  -0.805   5.617   8.734
  538    HB   ILE  68           HB       ILE  68  -1.051   8.621   9.018
  539   HG12  ILE  68          HG12      ILE  68  -0.034   7.090   6.598
  540   HG13  ILE  68          HG13      ILE  68  -1.753   7.335   6.809
  541   HG21  ILE  68          HG21      ILE  68   1.446   6.900   8.590
  542   HG22  ILE  68          HG22      ILE  68   1.407   8.656   8.361
  543   HG23  ILE  68          HG23      ILE  68   1.122   7.986   9.962
  544   HD11  ILE  68          HD11      ILE  68  -1.448   9.783   6.920
  545   HD12  ILE  68          HD12      ILE  68   0.291   9.564   6.606
  546   HD13  ILE  68          HD13      ILE  68  -0.908   9.076   5.388
  547    H    VAL  69           H        VAL  69   0.540   5.021  10.358
  548    HA   VAL  69           HA       VAL  69   0.344   6.319  13.047
  549    HB   VAL  69           HB       VAL  69   0.234   3.313  12.554
  550   HG11  VAL  69          HG11      VAL  69   0.194   3.086  15.048
  551   HG12  VAL  69          HG12      VAL  69   1.742   3.657  14.439
  552   HG13  VAL  69          HG13      VAL  69   0.608   4.808  15.186
  553   HG21  VAL  69          HG21      VAL  69  -1.847   3.458  13.944
  554   HG22  VAL  69          HG22      VAL  69  -1.692   5.224  13.961
  555   HG23  VAL  69          HG23      VAL  69  -1.984   4.362  12.433
  556    H    LYS  70           H        LYS  70   2.298   6.458  14.106
  557    HA   LYS  70           HA       LYS  70   4.730   5.562  12.613
  558    HB2  LYS  70           HB2      LYS  70   4.434   7.963  13.091
  559    HB3  LYS  70           HB3      LYS  70   4.457   7.640  14.820
  560    HG2  LYS  70           HG2      LYS  70   6.726   7.003  14.826
  561    HG3  LYS  70           HG3      LYS  70   6.752   6.635  13.098
  562    HD2  LYS  70           HD2      LYS  70   6.405   9.461  14.182
  563    HD3  LYS  70           HD3      LYS  70   7.978   8.754  13.761
  564    HE2  LYS  70           HE2      LYS  70   7.257   8.357  11.453
  565    HE3  LYS  70           HE3      LYS  70   5.624   8.918  11.826
  566    HZ1  LYS  70           HZ1      LYS  70   8.035  10.620  11.855
  567    HZ2  LYS  70           HZ2      LYS  70   6.513  11.110  12.261
  568    HZ3  LYS  70           HZ3      LYS  70   6.833  10.594  10.723
  569    H    ASP  71           H        ASP  71   5.226   3.553  13.177
  570    HA   ASP  71           HA       ASP  71   4.692   2.470  15.842
  571    HB2  ASP  71           HB2      ASP  71   4.296   1.278  13.603
  572    HB3  ASP  71           HB3      ASP  71   6.039   1.210  13.454
  573    HA   PRO  72           HA       PRO  72   8.884   3.082  17.423
  574    HB2  PRO  72           HB2      PRO  72   8.463   0.376  18.698
  575    HB3  PRO  72           HB3      PRO  72   9.088   1.884  19.433
  576    HG2  PRO  72           HG2      PRO  72   6.533   1.099  19.862
  577    HG3  PRO  72           HG3      PRO  72   6.898   2.827  19.528
  578    HD2  PRO  72           HD2      PRO  72   5.842   0.720  17.638
  579    HD3  PRO  72           HD3      PRO  72   5.330   2.424  17.846
  580    H    GLU  73           H        GLU  73   8.017  -0.028  15.885
  581    HA   GLU  73           HA       GLU  73  10.895  -0.552  15.213
  582    HB2  GLU  73           HB2      GLU  73   8.511  -2.456  15.283
  583    HB3  GLU  73           HB3      GLU  73  10.183  -2.866  14.874
  584    HG2  GLU  73           HG2      GLU  73  10.846  -1.993  17.165
  585    HG3  GLU  73           HG3      GLU  73   9.130  -1.916  17.568
  586    H    MET  74           H        MET  74   7.592  -0.655  13.832
  587    HA   MET  74           HA       MET  74   8.567  -1.168  11.131
  588    HB2  MET  74           HB2      MET  74   5.765  -0.389  12.039
  589    HB3  MET  74           HB3      MET  74   6.211  -0.969  10.458
  590    HG2  MET  74           HG2      MET  74   7.021  -3.105  11.513
  591    HG3  MET  74           HG3      MET  74   6.405  -2.515  13.062
  592    HE1  MET  74           HE1      MET  74   3.783  -5.249  12.329
  593    HE2  MET  74           HE2      MET  74   5.546  -5.282  12.127
  594    HE3  MET  74           HE3      MET  74   4.829  -4.493  13.548
  595    H    GLY  75           H        GLY  75   8.117   1.784  12.878
  596    HA2  GLY  75           HA2      GLY  75   8.578   3.977  12.238
  597    HA3  GLY  75           HA3      GLY  75   8.880   3.425  10.580
  598    H    GLU  76           H        GLU  76   7.707   5.320   9.863
  599    HA   GLU  76           HA       GLU  76   4.927   5.678  10.430
  600    HB2  GLU  76           HB2      GLU  76   6.817   7.306   9.501
  601    HB3  GLU  76           HB3      GLU  76   6.207   6.766   7.932
  602    HG2  GLU  76           HG2      GLU  76   3.932   7.419   8.622
  603    HG3  GLU  76           HG3      GLU  76   4.530   7.917  10.202
  604    H    ILE  77           H        ILE  77   3.461   4.245   9.916
  605    HA   ILE  77           HA       ILE  77   3.509   2.759   7.318
  606    HB   ILE  77           HB       ILE  77   2.350   0.917   8.561
  607   HG12  ILE  77          HG12      ILE  77   3.353   2.267  11.104
  608   HG13  ILE  77          HG13      ILE  77   1.666   2.240  10.586
  609   HG21  ILE  77          HG21      ILE  77   4.780   0.919   7.922
  610   HG22  ILE  77          HG22      ILE  77   5.162   1.401   9.585
  611   HG23  ILE  77          HG23      ILE  77   4.342  -0.148   9.252
  612   HD11  ILE  77          HD11      ILE  77   3.351  -0.154  11.386
  613   HD12  ILE  77          HD12      ILE  77   1.965   0.546  12.242
  614   HD13  ILE  77          HD13      ILE  77   1.721  -0.260  10.683
  615    H    ILE  78           H        ILE  78   1.600   2.315   6.312
  616    HA   ILE  78           HA       ILE  78  -0.843   3.787   7.226
  617    HB   ILE  78           HB       ILE  78  -0.197   2.396   4.606
  618   HG12  ILE  78          HG12      ILE  78  -0.775   5.349   5.045
  619   HG13  ILE  78          HG13      ILE  78   0.863   4.697   5.119
  620   HG21  ILE  78          HG21      ILE  78  -2.769   3.747   5.515
  621   HG22  ILE  78          HG22      ILE  78  -2.417   3.332   3.825
  622   HG23  ILE  78          HG23      ILE  78  -2.556   2.057   5.013
  623   HD11  ILE  78          HD11      ILE  78   0.452   5.562   2.900
  624   HD12  ILE  78          HD12      ILE  78   0.656   3.801   2.835
  625   HD13  ILE  78          HD13      ILE  78  -0.966   4.532   2.701
  626    H    GLN  79           H        GLN  79  -2.490   2.727   8.073
  627    HA   GLN  79           HA       GLN  79  -2.642  -0.267   8.049
  628    HB2  GLN  79           HB2      GLN  79  -3.834   1.892   9.847
  629    HB3  GLN  79           HB3      GLN  79  -4.380   0.216   9.855
  630    HG2  GLN  79           HG2      GLN  79  -2.240  -0.586  10.626
  631    HG3  GLN  79           HG3      GLN  79  -1.489   1.001  10.425
  632   HE21  GLN  79          HE21      GLN  79  -1.895  -0.779  12.935
  633   HE22  GLN  79          HE22      GLN  79  -2.566   0.399  14.053
  634    H    LEU  80           H        LEU  80  -3.966  -0.905   6.401
  635    HA   LEU  80           HA       LEU  80  -6.326   0.766   5.652
  636    HB2  LEU  80           HB2      LEU  80  -4.403  -0.266   3.985
  637    HB3  LEU  80           HB3      LEU  80  -5.504  -1.643   4.070
  638    HG   LEU  80           HG       LEU  80  -7.365  -0.158   3.309
  639   HD11  LEU  80          HD11      LEU  80  -6.408   2.066   3.918
  640   HD12  LEU  80          HD12      LEU  80  -6.769   1.991   2.194
  641   HD13  LEU  80          HD13      LEU  80  -5.091   1.823   2.764
  642   HD21  LEU  80          HD21      LEU  80  -6.573  -0.084   0.925
  643   HD22  LEU  80          HD22      LEU  80  -6.181  -1.609   1.720
  644   HD23  LEU  80          HD23      LEU  80  -4.921  -0.399   1.503
  645    H    GLN  81           H        GLN  81  -8.406  -0.188   5.726
  646    HA   GLN  81           HA       GLN  81  -8.786  -2.175   7.793
  647    HB2  GLN  81           HB2      GLN  81 -10.666  -0.804   5.825
  648    HB3  GLN  81           HB3      GLN  81 -11.201  -2.062   6.926
  649    HG2  GLN  81           HG2      GLN  81 -10.175  -0.625   8.834
  650    HG3  GLN  81           HG3      GLN  81 -10.084   0.671   7.643
  651   HE21  GLN  81          HE21      GLN  81 -11.731   2.073   8.537
  652   HE22  GLN  81          HE22      GLN  81 -13.384   1.515   8.766
  653    H    GLY  82           H        GLY  82  -8.928  -4.357   7.706
  654    HA2  GLY  82           HA2      GLY  82  -9.482  -6.457   6.894
  655    HA3  GLY  82           HA3      GLY  82  -9.896  -5.767   5.320
  656    H    ASP  83           H        ASP  83  -8.801  -7.791   4.669
  657    HA   ASP  83           HA       ASP  83  -5.843  -7.721   4.602
  658    HB2  ASP  83           HB2      ASP  83  -6.025  -9.997   3.803
  659    HB3  ASP  83           HB3      ASP  83  -6.829  -9.774   5.347
  660    H    GLN  84           H        GLN  84  -5.364  -6.126   3.135
  661    HA   GLN  84           HA       GLN  84  -6.478  -6.301   0.369
  662    HB2  GLN  84           HB2      GLN  84  -5.447  -3.804   1.725
  663    HB3  GLN  84           HB3      GLN  84  -6.460  -3.924   0.288
  664    HG2  GLN  84           HG2      GLN  84  -7.254  -4.399   3.184
  665    HG3  GLN  84           HG3      GLN  84  -7.781  -3.098   2.144
  666   HE21  GLN  84          HE21      GLN  84  -9.631  -4.483   3.517
  667   HE22  GLN  84          HE22      GLN  84 -10.571  -5.530   2.438
  668    H    ARG  85           H        ARG  85  -4.062  -7.629   1.435
  669    HA   ARG  85           HA       ARG  85  -1.782  -6.258   0.726
  670    HB2  ARG  85           HB2      ARG  85  -0.640  -8.482   0.751
  671    HB3  ARG  85           HB3      ARG  85  -1.592  -8.076   2.175
  672    HG2  ARG  85           HG2      ARG  85  -3.447  -9.528   1.379
  673    HG3  ARG  85           HG3      ARG  85  -2.484  -9.982  -0.039
  674    HD2  ARG  85           HD2      ARG  85  -0.817 -11.031   1.358
  675    HD3  ARG  85           HD3      ARG  85  -1.580 -10.426   2.836
  676    HE   ARG  85           HE       ARG  85  -3.606 -11.844   1.695
  677   HH11  ARG  85          HH11      ARG  85  -0.267 -12.822   2.375
  678   HH12  ARG  85          HH12      ARG  85  -0.722 -14.480   2.631
  679   HH21  ARG  85          HH21      ARG  85  -4.105 -13.992   2.034
  680   HH22  ARG  85          HH22      ARG  85  -2.857 -15.129   2.440
  681    H    ALA  86           H        ALA  86  -3.569  -8.489  -1.401
  682    HA   ALA  86           HA       ALA  86  -1.819  -8.159  -3.688
  683    HB1  ALA  86           HB1      ALA  86  -4.731  -9.064  -3.459
  684    HB2  ALA  86           HB2      ALA  86  -3.679  -9.285  -4.874
  685    HB3  ALA  86           HB3      ALA  86  -3.298 -10.111  -3.350
  686    H    LYS  87           H        LYS  87  -4.777  -6.485  -2.593
  687    HA   LYS  87           HA       LYS  87  -5.181  -4.898  -4.954
  688    HB2  LYS  87           HB2      LYS  87  -6.017  -4.457  -2.052
  689    HB3  LYS  87           HB3      LYS  87  -6.609  -3.522  -3.416
  690    HG2  LYS  87           HG2      LYS  87  -7.533  -5.621  -4.443
  691    HG3  LYS  87           HG3      LYS  87  -6.990  -6.516  -3.005
  692    HD2  LYS  87           HD2      LYS  87  -8.334  -4.823  -1.630
  693    HD3  LYS  87           HD3      LYS  87  -9.080  -4.302  -3.147
  694    HE2  LYS  87           HE2      LYS  87 -10.020  -6.500  -3.539
  695    HE3  LYS  87           HE3      LYS  87  -9.023  -7.217  -2.262
  696    HZ1  LYS  87           HZ1      LYS  87 -10.217  -5.902  -0.637
  697    HZ2  LYS  87           HZ2      LYS  87 -11.263  -6.863  -1.465
  698    HZ3  LYS  87           HZ3      LYS  87 -11.194  -5.259  -1.793
  699    H    VAL  88           H        VAL  88  -3.510  -4.120  -1.866
  700    HA   VAL  88           HA       VAL  88  -2.658  -1.515  -2.777
  701    HB   VAL  88           HB       VAL  88  -1.540  -3.251  -0.554
  702   HG11  VAL  88          HG11      VAL  88   0.206  -1.617  -1.237
  703   HG12  VAL  88          HG12      VAL  88  -0.990  -0.303  -1.175
  704   HG13  VAL  88          HG13      VAL  88  -0.506  -1.157   0.303
  705   HG21  VAL  88          HG21      VAL  88  -3.897  -2.499  -0.241
  706   HG22  VAL  88          HG22      VAL  88  -2.815  -1.659   0.879
  707   HG23  VAL  88          HG23      VAL  88  -3.412  -0.834  -0.583
  708    H    CYS  89           H        CYS  89  -1.072  -4.751  -3.027
  709    HA   CYS  89           HA       CYS  89   1.355  -3.888  -4.236
  710    HB2  CYS  89           HB2      CYS  89   0.789  -6.197  -3.433
  711    HB3  CYS  89           HB3      CYS  89  -0.295  -6.400  -4.816
  712    HG   CYS  89           HG       CYS  89   1.575  -5.900  -6.658
  713    H    GLU  90           H        GLU  90  -1.781  -4.689  -5.808
  714    HA   GLU  90           HA       GLU  90  -0.994  -3.988  -8.427
  715    HB2  GLU  90           HB2      GLU  90  -3.008  -5.323  -7.703
  716    HB3  GLU  90           HB3      GLU  90  -3.807  -3.800  -7.279
  717    HG2  GLU  90           HG2      GLU  90  -3.601  -3.031  -9.609
  718    HG3  GLU  90           HG3      GLU  90  -2.663  -4.471 -10.021
  719    H    PHE  91           H        PHE  91  -2.330  -1.844  -5.822
  720    HA   PHE  91           HA       PHE  91  -2.674   0.494  -7.429
  721    HB2  PHE  91           HB2      PHE  91  -3.625   0.617  -5.289
  722    HB3  PHE  91           HB3      PHE  91  -2.234  -0.081  -4.501
  723    HD1  PHE  91           HD1      PHE  91  -3.131   3.002  -6.485
  724    HD2  PHE  91           HD2      PHE  91  -0.799   1.286  -3.301
  725    HE1  PHE  91           HE1      PHE  91  -2.115   5.229  -6.012
  726    HE2  PHE  91           HE2      PHE  91   0.186   3.512  -2.820
  727    HZ   PHE  91           HZ       PHE  91  -0.511   5.496  -4.162
  728    H    MET  92           H        MET  92   0.146  -0.614  -5.532
  729    HA   MET  92           HA       MET  92   1.899   1.557  -6.084
  730    HB2  MET  92           HB2      MET  92   2.450  -1.380  -5.542
  731    HB3  MET  92           HB3      MET  92   3.683  -0.127  -5.456
  732    HG2  MET  92           HG2      MET  92   1.161   0.014  -3.783
  733    HG3  MET  92           HG3      MET  92   2.526  -0.967  -3.281
  734    HE1  MET  92           HE1      MET  92   2.203   2.136  -0.893
  735    HE2  MET  92           HE2      MET  92   0.860   1.500  -1.861
  736    HE3  MET  92           HE3      MET  92   1.984   0.379  -1.067
  737    H    ILE  93           H        ILE  93   1.440  -1.534  -7.835
  738    HA   ILE  93           HA       ILE  93   3.423  -0.925  -9.866
  739    HB   ILE  93           HB       ILE  93   1.192  -2.990  -9.814
  740   HG12  ILE  93          HG12      ILE  93   4.171  -3.435  -9.278
  741   HG13  ILE  93          HG13      ILE  93   3.031  -3.107  -7.988
  742   HG21  ILE  93          HG21      ILE  93   2.507  -4.186 -11.557
  743   HG22  ILE  93          HG22      ILE  93   1.990  -2.609 -12.139
  744   HG23  ILE  93          HG23      ILE  93   3.670  -2.855 -11.599
  745   HD11  ILE  93          HD11      ILE  93   1.673  -5.097  -8.682
  746   HD12  ILE  93          HD12      ILE  93   2.964  -5.513  -9.835
  747   HD13  ILE  93          HD13      ILE  93   3.309  -5.467  -8.102
  748    H    SER  94           H        SER  94  -0.143  -0.651  -9.845
  749    HA   SER  94           HA       SER  94  -0.305   0.133 -12.620
  750    HB2  SER  94           HB2      SER  94  -2.126  -1.008 -11.427
  751    HB3  SER  94           HB3      SER  94  -2.271   0.355 -10.308
  752    HG   SER  94           HG       SER  94  -2.972   0.239 -13.058
  753    H    GLN  95           H        GLN  95  -0.549   2.072  -9.579
  754    HA   GLN  95           HA       GLN  95  -1.030   4.508 -11.222
  755    HB2  GLN  95           HB2      GLN  95  -1.293   4.009  -8.232
  756    HB3  GLN  95           HB3      GLN  95  -1.776   5.473  -9.081
  757    HG2  GLN  95           HG2      GLN  95  -3.011   2.704  -9.461
  758    HG3  GLN  95           HG3      GLN  95  -3.721   4.055  -8.593
  759   HE21  GLN  95          HE21      GLN  95  -3.475   2.562 -11.739
  760   HE22  GLN  95          HE22      GLN  95  -4.241   3.884 -12.601
  761    H    LEU  96           H        LEU  96   1.377   3.294  -8.843
  762    HA   LEU  96           HA       LEU  96   2.830   5.880  -9.006
  763    HB2  LEU  96           HB2      LEU  96   3.602   3.396  -7.450
  764    HB3  LEU  96           HB3      LEU  96   4.231   5.012  -7.267
  765    HG   LEU  96           HG       LEU  96   1.402   4.133  -6.548
  766   HD11  LEU  96          HD11      LEU  96   3.763   5.016  -4.832
  767   HD12  LEU  96          HD12      LEU  96   3.118   3.368  -4.987
  768   HD13  LEU  96          HD13      LEU  96   2.132   4.629  -4.240
  769   HD21  LEU  96          HD21      LEU  96   2.703   6.889  -6.349
  770   HD22  LEU  96          HD22      LEU  96   1.174   6.434  -5.575
  771   HD23  LEU  96          HD23      LEU  96   1.293   6.450  -7.336
  772    H    GLY  97           H        GLY  97   2.840   2.894 -10.666
  773    HA2  GLY  97           HA2      GLY  97   4.113   2.236 -12.489
  774    HA3  GLY  97           HA3      GLY  97   5.156   3.665 -12.275
  775    H    LEU  98           H        LEU  98   4.750   1.659  -9.461
  776    HA   LEU  98           HA       LEU  98   7.579   1.079  -9.384
  777    HB2  LEU  98           HB2      LEU  98   5.229   0.253  -7.652
  778    HB3  LEU  98           HB3      LEU  98   6.873  -0.241  -7.300
  779    HG   LEU  98           HG       LEU  98   6.219   2.715  -7.661
  780   HD11  LEU  98          HD11      LEU  98   5.955   2.848  -5.187
  781   HD12  LEU  98          HD12      LEU  98   5.917   1.069  -5.131
  782   HD13  LEU  98          HD13      LEU  98   4.656   1.951  -5.988
  783   HD21  LEU  98          HD21      LEU  98   8.378   1.212  -6.104
  784   HD22  LEU  98          HD22      LEU  98   8.201   2.974  -6.195
  785   HD23  LEU  98          HD23      LEU  98   8.609   2.058  -7.647
  786    H    GLN  99           H        GLN  99   8.583  -1.039  -9.398
  787    HA   GLN  99           HA       GLN  99   7.288  -2.793 -11.418
  788    HB2  GLN  99           HB2      GLN  99  10.104  -2.906 -10.263
  789    HB3  GLN  99           HB3      GLN  99   9.478  -3.852 -11.611
  790    HG2  GLN  99           HG2      GLN  99   9.847  -0.818 -11.572
  791    HG3  GLN  99           HG3      GLN  99  10.860  -1.985 -12.405
  792   HE21  GLN  99          HE21      GLN  99   7.955  -0.024 -12.705
  793   HE22  GLN  99          HE22      GLN  99   7.477  -0.698 -14.250
  794    H    LYS 100           H        LYS 100   6.794  -4.968 -11.089
  795    HA   LYS 100           HA       LYS 100   5.694  -5.677  -8.640
  796    HB2  LYS 100           HB2      LYS 100   5.095  -6.723 -10.754
  797    HB3  LYS 100           HB3      LYS 100   6.715  -7.388 -10.945
  798    HG2  LYS 100           HG2      LYS 100   5.174  -9.133 -10.314
  799    HG3  LYS 100           HG3      LYS 100   6.365  -8.908  -9.040
  800    HD2  LYS 100           HD2      LYS 100   4.679  -7.614  -7.712
  801    HD3  LYS 100           HD3      LYS 100   3.496  -7.862  -9.022
  802    HE2  LYS 100           HE2      LYS 100   3.721 -10.323  -8.740
  803    HE3  LYS 100           HE3      LYS 100   4.889 -10.071  -7.438
  804    HZ1  LYS 100           HZ1      LYS 100   3.137  -8.955  -6.172
  805    HZ2  LYS 100           HZ2      LYS 100   2.664 -10.469  -6.571
  806    HZ3  LYS 100           HZ3      LYS 100   2.054  -9.188  -7.381
  807    H    LYS 101           H        LYS 101   8.959  -6.424  -9.812
  808    HA   LYS 101           HA       LYS 101   9.850  -8.146  -7.748
  809    HB2  LYS 101           HB2      LYS 101  12.076  -7.664  -8.580
  810    HB3  LYS 101           HB3      LYS 101  10.950  -7.875  -9.920
  811    HG2  LYS 101           HG2      LYS 101  10.822  -5.395 -10.196
  812    HG3  LYS 101           HG3      LYS 101  11.967  -5.191  -8.857
  813    HD2  LYS 101           HD2      LYS 101  13.676  -6.466 -10.121
  814    HD3  LYS 101           HD3      LYS 101  12.529  -6.676 -11.462
  815    HE2  LYS 101           HE2      LYS 101  12.385  -4.207 -11.726
  816    HE3  LYS 101           HE3      LYS 101  13.519  -3.991 -10.385
  817    HZ1  LYS 101           HZ1      LYS 101  15.197  -5.166 -11.703
  818    HZ2  LYS 101           HZ2      LYS 101  14.649  -3.867 -12.525
  819    HZ3  LYS 101           HZ3      LYS 101  14.150  -5.363 -12.943
  820    H    ASN 102           H        ASN 102   9.353  -4.680  -7.507
  821    HA   ASN 102           HA       ASN 102  11.145  -4.338  -5.212
  822    HB2  ASN 102           HB2      ASN 102   8.889  -2.574  -6.270
  823    HB3  ASN 102           HB3      ASN 102  10.036  -2.133  -5.009
  824   HD21  ASN 102          HD21      ASN 102  12.491  -2.549  -5.762
  825   HD22  ASN 102          HD22      ASN 102  12.832  -1.867  -7.350
  826    H    ILE 103           H        ILE 103   7.988  -5.783  -5.522
  827    HA   ILE 103           HA       ILE 103   7.239  -4.868  -2.768
  828    HB   ILE 103           HB       ILE 103   5.407  -6.003  -4.893
  829   HG12  ILE 103          HG12      ILE 103   6.056  -3.103  -4.159
  830   HG13  ILE 103          HG13      ILE 103   6.383  -3.891  -5.706
  831   HG21  ILE 103          HG21      ILE 103   4.641  -6.251  -2.526
  832   HG22  ILE 103          HG22      ILE 103   4.903  -4.513  -2.263
  833   HG23  ILE 103          HG23      ILE 103   3.653  -5.089  -3.387
  834   HD11  ILE 103          HD11      ILE 103   3.670  -3.174  -4.592
  835   HD12  ILE 103          HD12      ILE 103   4.494  -2.527  -6.025
  836   HD13  ILE 103          HD13      ILE 103   3.922  -4.207  -6.023
  837    H    LYS 104           H        LYS 104   7.371  -6.109  -1.169
  838    HA   LYS 104           HA       LYS 104   7.322  -9.086  -1.381
  839    HB2  LYS 104           HB2      LYS 104   8.124  -7.194   0.873
  840    HB3  LYS 104           HB3      LYS 104   8.137  -8.952   0.974
  841    HG2  LYS 104           HG2      LYS 104   9.907  -7.285  -0.862
  842    HG3  LYS 104           HG3      LYS 104  10.370  -7.999   0.684
  843    HD2  LYS 104           HD2      LYS 104   9.767 -10.283  -0.291
  844    HD3  LYS 104           HD3      LYS 104   9.629  -9.477  -1.872
  845    HE2  LYS 104           HE2      LYS 104  11.971  -8.640  -1.609
  846    HE3  LYS 104           HE3      LYS 104  12.088  -9.473  -0.056
  847    HZ1  LYS 104           HZ1      LYS 104  11.771 -11.577  -1.234
  848    HZ2  LYS 104           HZ2      LYS 104  13.063 -10.788  -1.842
  849    HZ3  LYS 104           HZ3      LYS 104  11.658 -10.810  -2.675
  850    H    ILE 105           H        ILE 105   5.452 -10.055  -0.906
  851    HA   ILE 105           HA       ILE 105   3.422  -8.707   0.861
  852    HB   ILE 105           HB       ILE 105   3.106 -10.912  -1.218
  853   HG12  ILE 105          HG12      ILE 105   1.903  -8.104  -0.995
  854   HG13  ILE 105          HG13      ILE 105   3.205  -8.573  -2.087
  855   HG21  ILE 105          HG21      ILE 105   1.142  -9.841   0.851
  856   HG22  ILE 105          HG22      ILE 105   0.682 -10.885  -0.520
  857   HG23  ILE 105          HG23      ILE 105   1.749 -11.504   0.722
  858   HD11  ILE 105          HD11      ILE 105   0.309  -9.480  -2.215
  859   HD12  ILE 105          HD12      ILE 105   1.217  -8.522  -3.385
  860   HD13  ILE 105          HD13      ILE 105   1.621 -10.232  -3.162
  861    H    HIS 106           H        HIS 106   3.448  -9.344   2.880
  862    HA   HIS 106           HA       HIS 106   4.948 -11.820   3.614
  863    HB2  HIS 106           HB2      HIS 106   4.128  -9.348   5.171
  864    HB3  HIS 106           HB3      HIS 106   5.036 -10.702   5.838
  865    HD2  HIS 106           HD2      HIS 106   5.483  -7.599   3.674
  866    HE1  HIS 106           HE1      HIS 106   9.321  -9.425   3.941
  867    HE2  HIS 106           HE2      HIS 106   8.072  -7.337   3.222
  868    H    GLY 107           H        GLY 107   1.714 -10.407   4.016
  869    HA2  GLY 107           HA2      GLY 107  -0.267 -11.304   4.913
  870    HA3  GLY 107           HA3      GLY 107   0.523 -12.893   4.974
  871    H    PHE 108           H        PHE 108   0.057 -13.542   7.005
  872    HA   PHE 108           HA       PHE 108   1.468 -12.333   9.237
  873    HB2  PHE 108           HB2      PHE 108  -0.333 -11.971  10.696
  874    HB3  PHE 108           HB3      PHE 108  -0.687 -11.082   9.243
  875    HD1  PHE 108           HD2      PHE 108  -2.295 -12.353   7.480
  876    HD2  PHE 108           HD1      PHE 108  -2.013 -13.261  11.689
  877    HE1  PHE 108           HE2      PHE 108  -4.558 -13.357   7.416
  878    HE2  PHE 108           HE1      PHE 108  -4.281 -14.266  11.617
  879    HZ   PHE 108           HZ       PHE 108  -5.558 -14.315   9.483
  Start of MODEL    5
    1    H1   MET   1           H        MET   1   2.196  11.766  43.322
    2    H2   MET   1           H2       MET   1   3.362  10.711  42.919
    3    H3   MET   1           H3       MET   1   3.490  11.562  44.289
    4    HA   MET   1           HA       MET   1   2.879   9.282  44.811
    5    HB2  MET   1           HB2      MET   1   2.119  11.074  46.295
    6    HB3  MET   1           HB3      MET   1   0.613  11.223  45.393
    7    HG2  MET   1           HG2      MET   1   0.330   9.907  47.441
    8    HG3  MET   1           HG3      MET   1  -0.022   8.927  46.027
    9    HE1  MET   1           HE1      MET   1   1.349   6.318  48.565
   10    HE2  MET   1           HE2      MET   1   0.355   7.748  48.909
   11    HE3  MET   1           HE3      MET   1   0.028   6.762  47.466
   12    H    SER   2           H        SER   2  -0.376  10.374  43.737
   13    HA   SER   2           HA       SER   2  -1.036   7.798  42.678
   14    HB2  SER   2           HB2      SER   2  -2.383  10.476  42.176
   15    HB3  SER   2           HB3      SER   2  -3.096   8.869  41.947
   16    HG   SER   2           HG       SER   2  -3.705   9.807  43.969
   17    H    ILE   3           H        ILE   3  -1.419   7.111  40.515
   18    HA   ILE   3           HA       ILE   3   0.379   8.348  38.508
   19    HB   ILE   3           HB       ILE   3  -1.221   5.773  38.301
   20   HG12  ILE   3          HG12      ILE   3   1.694   6.204  39.118
   21   HG13  ILE   3          HG13      ILE   3   0.399   5.658  40.183
   22   HG21  ILE   3          HG21      ILE   3   1.174   6.801  36.691
   23   HG22  ILE   3          HG22      ILE   3   0.278   5.290  36.410
   24   HG23  ILE   3          HG23      ILE   3  -0.504   6.832  36.121
   25   HD11  ILE   3          HD11      ILE   3   1.676   3.744  39.581
   26   HD12  ILE   3          HD12      ILE   3   0.112   3.619  38.752
   27   HD13  ILE   3          HD13      ILE   3   1.572   4.107  37.854
   28    H    GLU   4           H        GLU   4  -0.739  10.275  38.187
   29    HA   GLU   4           HA       GLU   4  -2.671  10.195  36.014
   30    HB2  GLU   4           HB2      GLU   4  -4.153   9.992  38.012
   31    HB3  GLU   4           HB3      GLU   4  -3.469  11.484  38.663
   32    HG2  GLU   4           HG2      GLU   4  -4.358  12.747  36.729
   33    HG3  GLU   4           HG3      GLU   4  -4.940  11.249  35.999
   34    H    ASN   5           H        ASN   5  -2.347  11.904  34.695
   35    HA   ASN   5           HA       ASN   5  -1.437  14.507  35.557
   36    HB2  ASN   5           HB2      ASN   5   0.732  13.333  35.651
   37    HB3  ASN   5           HB3      ASN   5   0.496  12.720  34.013
   38   HD21  ASN   5          HD21      ASN   5   0.738  15.818  35.876
   39   HD22  ASN   5          HD22      ASN   5   1.464  16.709  34.549
   40    H    LEU   6           H        LEU   6  -2.117  16.014  34.143
   41    HA   LEU   6           HA       LEU   6  -2.825  15.260  31.329
   42    HB2  LEU   6           HB2      LEU   6  -4.237  17.184  33.240
   43    HB3  LEU   6           HB3      LEU   6  -4.497  17.155  31.512
   44    HG   LEU   6           HG       LEU   6  -6.319  16.090  32.511
   45   HD11  LEU   6          HD11      LEU   6  -5.481  15.072  30.405
   46   HD12  LEU   6          HD12      LEU   6  -6.379  13.932  31.422
   47   HD13  LEU   6          HD13      LEU   6  -4.610  13.849  31.360
   48   HD21  LEU   6          HD21      LEU   6  -4.577  14.008  33.871
   49   HD22  LEU   6          HD22      LEU   6  -6.326  14.219  33.983
   50   HD23  LEU   6          HD23      LEU   6  -5.251  15.440  34.684
   51    H    LYS   7           H        LYS   7  -2.060  16.525  29.769
   52    HA   LYS   7           HA       LYS   7  -1.036  19.186  30.000
   53    HB2  LYS   7           HB2      LYS   7   1.362  18.728  29.686
   54    HB3  LYS   7           HB3      LYS   7   0.801  18.136  31.239
   55    HG2  LYS   7           HG2      LYS   7   0.685  15.818  30.319
   56    HG3  LYS   7           HG3      LYS   7   1.266  16.420  28.755
   57    HD2  LYS   7           HD2      LYS   7   3.372  17.155  29.776
   58    HD3  LYS   7           HD3      LYS   7   2.791  16.660  31.381
   59    HE2  LYS   7           HE2      LYS   7   2.573  14.317  30.573
   60    HE3  LYS   7           HE3      LYS   7   3.182  14.805  28.985
   61    HZ1  LYS   7           HZ1      LYS   7   4.945  13.875  30.364
   62    HZ2  LYS   7           HZ2      LYS   7   4.697  14.990  31.532
   63    HZ3  LYS   7           HZ3      LYS   7   5.270  15.450  30.069
   64    H    SER   8           H        SER   8   0.097  19.886  27.967
   65    HA   SER   8           HA       SER   8  -1.040  18.577  25.556
   66    HB2  SER   8           HB2      SER   8   0.609  21.113  25.861
   67    HB3  SER   8           HB3      SER   8  -0.140  20.523  24.367
   68    HG   SER   8           HG       SER   8  -1.439  22.113  25.442
   69    H    PHE   9           H        PHE   9   0.117  17.418  24.092
   70    HA   PHE   9           HA       PHE   9   2.964  17.515  23.756
   71    HB2  PHE   9           HB2      PHE   9   3.576  15.324  24.509
   72    HB3  PHE   9           HB3      PHE   9   2.879  16.173  25.860
   73    HD1  PHE   9           HD2      PHE   9   0.555  15.581  26.664
   74    HD2  PHE   9           HD1      PHE   9   2.592  13.287  23.636
   75    HE1  PHE   9           HE2      PHE   9  -1.006  13.691  27.048
   76    HE2  PHE   9           HE1      PHE   9   1.030  11.398  24.020
   77    HZ   PHE   9           HZ       PHE   9  -0.772  11.595  25.726
   78    H    ASP  10           H        ASP  10   3.672  15.676  22.235
   79    HA   ASP  10           HA       ASP  10   1.650  14.533  20.487
   80    HB2  ASP  10           HB2      ASP  10   2.359  15.720  18.458
   81    HB3  ASP  10           HB3      ASP  10   1.648  16.812  19.628
   82    HA   PRO  11           HA       PRO  11   5.113  11.778  19.774
   83    HB2  PRO  11           HB2      PRO  11   4.276  10.334  17.631
   84    HB3  PRO  11           HB3      PRO  11   3.458  10.239  19.219
   85    HG2  PRO  11           HG2      PRO  11   2.656  11.923  16.819
   86    HG3  PRO  11           HG3      PRO  11   1.625  10.826  17.794
   87    HD2  PRO  11           HD2      PRO  11   1.740  13.519  18.244
   88    HD3  PRO  11           HD3      PRO  11   1.540  12.350  19.582
   89    H    PHE  12           H        PHE  12   4.059  14.004  17.263
   90    HA   PHE  12           HA       PHE  12   6.648  14.733  16.408
   91    HB2  PHE  12           HB2      PHE  12   6.459  14.009  14.019
   92    HB3  PHE  12           HB3      PHE  12   6.773  12.708  15.140
   93    HD1  PHE  12           HD2      PHE  12   4.151  14.263  12.985
   94    HD2  PHE  12           HD1      PHE  12   5.232  10.866  15.412
   95    HE1  PHE  12           HE2      PHE  12   2.182  13.021  12.129
   96    HE2  PHE  12           HE1      PHE  12   3.264   9.625  14.543
   97    HZ   PHE  12           HZ       PHE  12   1.740  10.697  12.897
   98    H    ALA  13           H        ALA  13   6.588  16.642  15.286
   99    HA   ALA  13           HA       ALA  13   4.028  18.074  15.158
  100    HB1  ALA  13           HB1      ALA  13   6.883  18.944  14.508
  101    HB2  ALA  13           HB2      ALA  13   5.473  20.009  14.689
  102    HB3  ALA  13           HB3      ALA  13   6.077  19.106  16.088
  103    H    ASP  14           H        ASP  14   6.019  16.368  12.881
  104    HA   ASP  14           HA       ASP  14   4.259  16.875  10.631
  105    HB2  ASP  14           HB2      ASP  14   5.732  18.933  10.703
  106    HB3  ASP  14           HB3      ASP  14   7.131  17.884  10.503
  107    H    THR  15           H        THR  15   4.847  15.565   8.752
  108    HA   THR  15           HA       THR  15   6.282  13.048   9.508
  109    HB   THR  15           HB       THR  15   4.830  12.000   7.759
  110    HG1  THR  15           HG1      THR  15   3.046  13.226   7.058
  111   HG21  THR  15          HG21      THR  15   4.213  11.934  10.171
  112   HG22  THR  15          HG22      THR  15   2.798  11.945   9.104
  113   HG23  THR  15          HG23      THR  15   3.273  13.429   9.958
  114    H    GLY  16           H        GLY  16   7.213  11.799   7.755
  115    HA2  GLY  16           HA2      GLY  16   8.457  11.455   5.846
  116    HA3  GLY  16           HA3      GLY  16   7.950  13.041   5.238
  117    H    ASP  17           H        ASP  17  10.274  12.485   4.503
  118    HA   ASP  17           HA       ASP  17  12.084  14.367   5.754
  119    HB2  ASP  17           HB2      ASP  17  12.322  12.138   7.067
  120    HB3  ASP  17           HB3      ASP  17  13.075  11.501   5.613
  121    H    ASP  18           H        ASP  18  14.440  13.109   4.317
  122    HA   ASP  18           HA       ASP  18  14.028  14.458   1.804
  123    HB2  ASP  18           HB2      ASP  18  16.127  14.445   3.166
  124    HB3  ASP  18           HB3      ASP  18  16.367  12.749   2.729
  125    H    GLU  19           H        GLU  19  14.126  13.682  -0.285
  126    HA   GLU  19           HA       GLU  19  12.660  11.309  -0.870
  127    HB2  GLU  19           HB2      GLU  19  14.273  13.172  -2.651
  128    HB3  GLU  19           HB3      GLU  19  13.153  11.939  -3.243
  129    HG2  GLU  19           HG2      GLU  19  11.274  13.038  -2.085
  130    HG3  GLU  19           HG3      GLU  19  12.358  14.289  -1.475
  131    H    THR  20           H        THR  20  16.043  11.578  -0.275
  132    HA   THR  20           HA       THR  20  17.169   9.614  -1.954
  133    HB   THR  20           HB       THR  20  18.361  11.203  -0.444
  134    HG1  THR  20           HG1      THR  20  20.037   9.741  -0.101
  135   HG21  THR  20          HG21      THR  20  18.837  10.616   1.853
  136   HG22  THR  20          HG22      THR  20  17.897   9.114   1.738
  137   HG23  THR  20          HG23      THR  20  17.078  10.689   1.682
  138    H    ALA  21           H        ALA  21  15.025   9.109   0.761
  139    HA   ALA  21           HA       ALA  21  15.484   6.225   0.952
  140    HB1  ALA  21           HB1      ALA  21  14.726   7.486   2.898
  141    HB2  ALA  21           HB2      ALA  21  13.289   8.046   2.021
  142    HB3  ALA  21           HB3      ALA  21  13.476   6.324   2.410
  143    H    THR  22           H        THR  22  15.401   5.676  -1.236
  144    HA   THR  22           HA       THR  22  12.801   4.870  -2.258
  145    HB   THR  22           HB       THR  22  13.032   7.224  -3.053
  146    HG1  THR  22           HG1      THR  22  12.317   6.711  -5.033
  147   HG21  THR  22          HG21      THR  22  14.584   7.757  -4.860
  148   HG22  THR  22          HG22      THR  22  15.323   6.147  -4.763
  149   HG23  THR  22          HG23      THR  22  15.497   7.295  -3.417
  150    H    SER  23           H        SER  23  13.215   3.871  -4.503
  151    HA   SER  23           HA       SER  23  13.921   2.041  -5.668
  152    HB2  SER  23           HB2      SER  23  16.687   2.738  -4.622
  153    HB3  SER  23           HB3      SER  23  16.314   1.647  -5.956
  154    HG   SER  23           HG       SER  23  16.844   3.773  -6.686
  155    H    ASN  24           H        ASN  24  14.252   1.955  -2.296
  156    HA   ASN  24           HA       ASN  24  15.142  -0.773  -1.947
  157    HB2  ASN  24           HB2      ASN  24  14.588  -0.360   0.391
  158    HB3  ASN  24           HB3      ASN  24  15.447   1.020  -0.276
  159   HD21  ASN  24          HD21      ASN  24  12.269  -0.146   0.876
  160   HD22  ASN  24          HD22      ASN  24  11.507   1.422   0.865
  161    H    TYR  25           H        TYR  25  13.695  -2.290  -0.553
  162    HA   TYR  25           HA       TYR  25  11.410  -3.056  -2.136
  163    HB2  TYR  25           HB2      TYR  25  12.640  -4.092   0.431
  164    HB3  TYR  25           HB3      TYR  25  11.128  -4.735  -0.185
  165    HD1  TYR  25           HD2      TYR  25  10.979  -6.023  -2.228
  166    HD2  TYR  25           HD1      TYR  25  14.767  -4.572  -0.771
  167    HE1  TYR  25           HE2      TYR  25  12.163  -7.609  -3.736
  168    HE2  TYR  25           HE1      TYR  25  15.958  -6.140  -2.296
  169    HH   TYR  25           HH       TYR  25  14.197  -8.372  -4.493
  170    H    ILE  26           H        ILE  26   9.293  -3.016  -1.756
  171    HA   ILE  26           HA       ILE  26   8.168  -1.471   0.565
  172    HB   ILE  26           HB       ILE  26   6.777  -2.348  -2.005
  173   HG12  ILE  26          HG12      ILE  26   6.756   0.376  -2.181
  174   HG13  ILE  26          HG13      ILE  26   8.309   0.162  -1.377
  175   HG21  ILE  26          HG21      ILE  26   4.992  -0.798  -1.271
  176   HG22  ILE  26          HG22      ILE  26   5.249  -2.074  -0.088
  177   HG23  ILE  26          HG23      ILE  26   5.898  -0.447   0.215
  178   HD11  ILE  26          HD11      ILE  26   9.011  -1.353  -3.262
  179   HD12  ILE  26          HD12      ILE  26   7.419  -1.084  -4.018
  180   HD13  ILE  26          HD13      ILE  26   8.557   0.264  -3.813
  181    H    HIS  27           H        HIS  27   7.003  -2.581   2.071
  182    HA   HIS  27           HA       HIS  27   6.520  -5.512   1.626
  183    HB2  HIS  27           HB2      HIS  27   7.264  -4.070   4.196
  184    HB3  HIS  27           HB3      HIS  27   6.883  -5.783   4.035
  185    HD2  HIS  27           HD2      HIS  27   9.630  -3.213   3.149
  186    HE1  HIS  27           HE1      HIS  27  11.343  -7.078   2.673
  187    HE2  HIS  27           HE2      HIS  27  11.830  -4.578   2.695
  188    H    ILE  28           H        ILE  28   4.427  -6.017   1.585
  189    HA   ILE  28           HA       ILE  28   2.447  -4.314   3.095
  190    HB   ILE  28           HB       ILE  28   1.910  -5.948   0.590
  191   HG12  ILE  28          HG12      ILE  28   2.098  -2.903   0.760
  192   HG13  ILE  28          HG13      ILE  28   3.433  -3.903   0.192
  193   HG21  ILE  28          HG21      ILE  28  -0.054  -5.641   2.084
  194   HG22  ILE  28          HG22      ILE  28   0.243  -3.898   2.154
  195   HG23  ILE  28          HG23      ILE  28  -0.261  -4.655   0.643
  196   HD11  ILE  28          HD11      ILE  28   2.052  -4.829  -1.609
  197   HD12  ILE  28          HD12      ILE  28   0.717  -3.768  -1.123
  198   HD13  ILE  28          HD13      ILE  28   2.231  -3.066  -1.710
  199    H    ARG  29           H        ARG  29   1.868  -5.289   4.875
  200    HA   ARG  29           HA       ARG  29   1.815  -8.282   5.044
  201    HB2  ARG  29           HB2      ARG  29   2.430  -6.436   7.372
  202    HB3  ARG  29           HB3      ARG  29   2.715  -8.166   7.213
  203    HG2  ARG  29           HG2      ARG  29   4.349  -7.372   5.250
  204    HG3  ARG  29           HG3      ARG  29   4.293  -5.839   6.113
  205    HD2  ARG  29           HD2      ARG  29   5.032  -7.017   8.200
  206    HD3  ARG  29           HD3      ARG  29   5.064  -8.541   7.316
  207    HE   ARG  29           HE       ARG  29   7.036  -7.947   6.258
  208   HH11  ARG  29          HH11      ARG  29   5.837  -5.082   7.984
  209   HH12  ARG  29          HH12      ARG  29   7.349  -4.233   7.713
  210   HH21  ARG  29          HH21      ARG  29   8.936  -6.699   5.981
  211   HH22  ARG  29          HH22      ARG  29   8.972  -5.074   6.633
  212    H    ILE  30           H        ILE  30   0.552  -8.930   7.138
  213    HA   ILE  30           HA       ILE  30  -1.902  -7.239   7.468
  214    HB   ILE  30           HB       ILE  30  -1.817 -10.262   7.697
  215   HG12  ILE  30          HG12      ILE  30  -3.100  -8.436   5.596
  216   HG13  ILE  30          HG13      ILE  30  -1.727  -9.510   5.327
  217   HG21  ILE  30          HG21      ILE  30  -4.112  -8.274   7.965
  218   HG22  ILE  30          HG22      ILE  30  -4.255 -10.040   8.062
  219   HG23  ILE  30          HG23      ILE  30  -3.370  -9.184   9.303
  220   HD11  ILE  30          HD11      ILE  30  -4.585 -10.376   5.906
  221   HD12  ILE  30          HD12      ILE  30  -3.695 -10.530   4.397
  222   HD13  ILE  30          HD13      ILE  30  -3.191 -11.481   5.810
  223    H    GLN  31           H        GLN  31  -2.348  -6.638   9.439
  224    HA   GLN  31           HA       GLN  31  -0.618  -7.475  11.723
  225    HB2  GLN  31           HB2      GLN  31  -0.325  -5.140  11.028
  226    HB3  GLN  31           HB3      GLN  31  -2.064  -4.858  11.116
  227    HG2  GLN  31           HG2      GLN  31  -2.017  -5.212  13.563
  228    HG3  GLN  31           HG3      GLN  31  -0.302  -5.624  13.481
  229   HE21  GLN  31          HE21      GLN  31   0.535  -3.887  14.743
  230   HE22  GLN  31          HE22      GLN  31   0.348  -2.217  14.248
  231    H    GLN  32           H        GLN  32  -1.634  -8.502  13.348
  232    HA   GLN  32           HA       GLN  32  -4.501  -9.001  13.275
  233    HB2  GLN  32           HB2      GLN  32  -4.078 -10.387  15.264
  234    HB3  GLN  32           HB3      GLN  32  -3.038 -10.784  13.912
  235    HG2  GLN  32           HG2      GLN  32  -1.711 -10.938  15.876
  236    HG3  GLN  32           HG3      GLN  32  -1.152  -9.536  14.990
  237   HE21  GLN  32          HE21      GLN  32  -0.358  -8.183  16.648
  238   HE22  GLN  32          HE22      GLN  32  -1.310  -7.750  18.060
  239    H    ARG  33           H        ARG  33  -6.020  -8.512  14.918
  240    HA   ARG  33           HA       ARG  33  -5.302  -6.489  16.935
  241    HB2  ARG  33           HB2      ARG  33  -6.370  -5.537  14.614
  242    HB3  ARG  33           HB3      ARG  33  -7.856  -6.011  15.414
  243    HG2  ARG  33           HG2      ARG  33  -7.708  -3.862  16.182
  244    HG3  ARG  33           HG3      ARG  33  -6.782  -4.637  17.467
  245    HD2  ARG  33           HD2      ARG  33  -5.731  -3.154  15.017
  246    HD3  ARG  33           HD3      ARG  33  -5.644  -2.625  16.698
  247    HE   ARG  33           HE       ARG  33  -4.251  -5.101  15.718
  248   HH11  ARG  33          HH11      ARG  33  -3.870  -1.970  17.349
  249   HH12  ARG  33          HH12      ARG  33  -2.239  -2.351  17.815
  250   HH21  ARG  33          HH21      ARG  33  -2.285  -5.520  16.347
  251   HH22  ARG  33          HH22      ARG  33  -1.327  -4.363  17.255
  252    H    ASN  34           H        ASN  34  -6.007  -7.222  18.838
  253    HA   ASN  34           HA       ASN  34  -7.396  -9.656  19.069
  254    HB2  ASN  34           HB2      ASN  34  -5.765  -8.787  20.697
  255    HB3  ASN  34           HB3      ASN  34  -6.896  -7.519  21.175
  256   HD21  ASN  34          HD21      ASN  34  -6.504  -8.522  23.374
  257   HD22  ASN  34          HD22      ASN  34  -7.502  -9.896  23.815
  258    H    GLY  35           H        GLY  35  -9.471 -10.025  18.547
  259    HA2  GLY  35           HA2      GLY  35 -11.778  -9.979  18.619
  260    HA3  GLY  35           HA3      GLY  35 -11.670  -8.819  19.960
  261    H    ARG  36           H        ARG  36 -10.119  -7.860  17.010
  262    HA   ARG  36           HA       ARG  36 -12.340  -5.993  16.289
  263    HB2  ARG  36           HB2      ARG  36  -9.515  -5.288  17.172
  264    HB3  ARG  36           HB3      ARG  36 -10.528  -4.169  16.252
  265    HG2  ARG  36           HG2      ARG  36 -12.282  -4.305  18.001
  266    HG3  ARG  36           HG3      ARG  36 -11.229  -5.331  18.980
  267    HD2  ARG  36           HD2      ARG  36 -10.537  -2.509  18.065
  268    HD3  ARG  36           HD3      ARG  36 -11.245  -2.894  19.626
  269    HE   ARG  36           HE       ARG  36  -8.473  -3.247  18.803
  270   HH11  ARG  36          HH11      ARG  36 -10.862  -4.346  21.171
  271   HH12  ARG  36          HH12      ARG  36  -9.645  -4.798  22.325
  272   HH21  ARG  36          HH21      ARG  36  -6.953  -3.867  20.337
  273   HH22  ARG  36          HH22      ARG  36  -7.471  -4.526  21.857
  274    H    LYS  37           H        LYS  37 -11.484  -4.559  14.362
  275    HA   LYS  37           HA       LYS  37 -11.483  -6.158  12.075
  276    HB2  LYS  37           HB2      LYS  37 -10.572  -3.284  12.511
  277    HB3  LYS  37           HB3      LYS  37 -10.691  -4.020  10.913
  278    HG2  LYS  37           HG2      LYS  37 -13.094  -4.431  11.219
  279    HG3  LYS  37           HG3      LYS  37 -13.032  -3.713  12.843
  280    HD2  LYS  37           HD2      LYS  37 -12.341  -1.555  11.921
  281    HD3  LYS  37           HD3      LYS  37 -12.219  -2.247  10.289
  282    HE2  LYS  37           HE2      LYS  37 -14.629  -2.713  10.262
  283    HE3  LYS  37           HE3      LYS  37 -14.800  -2.105  11.915
  284    HZ1  LYS  37           HZ1      LYS  37 -13.818  -0.445   9.651
  285    HZ2  LYS  37           HZ2      LYS  37 -14.186   0.079  11.153
  286    HZ3  LYS  37           HZ3      LYS  37 -15.378  -0.451  10.169
  287    H    THR  38           H        THR  38 -10.077  -7.018  10.688
  288    HA   THR  38           HA       THR  38  -7.229  -7.317  11.183
  289    HB   THR  38           HB       THR  38  -8.895  -7.798   8.668
  290    HG1  THR  38           HG1      THR  38  -8.999  -9.905   9.491
  291   HG21  THR  38          HG21      THR  38  -6.516  -7.810   8.112
  292   HG22  THR  38          HG22      THR  38  -7.105  -9.473   8.145
  293   HG23  THR  38          HG23      THR  38  -6.161  -8.850   9.517
  294    H    LEU  39           H        LEU  39  -5.515  -6.194  10.228
  295    HA   LEU  39           HA       LEU  39  -6.190  -3.832   8.509
  296    HB2  LEU  39           HB2      LEU  39  -4.170  -4.000  10.781
  297    HB3  LEU  39           HB3      LEU  39  -4.361  -2.623   9.702
  298    HG   LEU  39           HG       LEU  39  -6.478  -3.631  11.660
  299   HD11  LEU  39          HD11      LEU  39  -5.918  -1.635  12.968
  300   HD12  LEU  39          HD12      LEU  39  -4.670  -1.191  11.786
  301   HD13  LEU  39          HD13      LEU  39  -4.486  -2.662  12.768
  302   HD21  LEU  39          HD21      LEU  39  -7.590  -1.440  11.182
  303   HD22  LEU  39          HD22      LEU  39  -7.552  -2.496   9.773
  304   HD23  LEU  39          HD23      LEU  39  -6.409  -1.140   9.889
  305    H    THR  40           H        THR  40  -4.948  -3.509   6.781
  306    HA   THR  40           HA       THR  40  -2.634  -5.298   6.193
  307    HB   THR  40           HB       THR  40  -4.302  -3.430   4.467
  308    HG1  THR  40           HG1      THR  40  -5.107  -5.466   5.101
  309   HG21  THR  40          HG21      THR  40  -2.995  -4.359   2.563
  310   HG22  THR  40          HG22      THR  40  -1.895  -5.161   3.704
  311   HG23  THR  40          HG23      THR  40  -1.963  -3.384   3.614
  312    H    THR  41           H        THR  41  -0.655  -4.562   6.698
  313    HA   THR  41           HA       THR  41  -0.220  -1.653   7.191
  314    HB   THR  41           HB       THR  41   1.953  -2.624   8.258
  315    HG1  THR  41           HG1      THR  41   1.572  -4.664   9.169
  316   HG21  THR  41          HG21      THR  41   0.123  -1.412   9.399
  317   HG22  THR  41          HG22      THR  41   0.764  -2.728  10.396
  318   HG23  THR  41          HG23      THR  41  -0.793  -2.927   9.552
  319    H    VAL  42           H        VAL  42   0.785  -0.512   5.809
  320    HA   VAL  42           HA       VAL  42   2.579  -1.789   3.766
  321    HB   VAL  42           HB       VAL  42   1.478   1.034   3.764
  322   HG11  VAL  42          HG11      VAL  42   3.535   0.792   2.428
  323   HG12  VAL  42          HG12      VAL  42   2.837  -0.607   1.581
  324   HG13  VAL  42          HG13      VAL  42   2.135   1.012   1.376
  325   HG21  VAL  42          HG21      VAL  42  -0.087   0.267   2.020
  326   HG22  VAL  42          HG22      VAL  42   0.465  -1.413   2.266
  327   HG23  VAL  42          HG23      VAL  42  -0.404  -0.544   3.552
  328    H    GLN  43           H        GLN  43   4.666  -1.636   4.039
  329    HA   GLN  43           HA       GLN  43   5.925   0.633   5.542
  330    HB2  GLN  43           HB2      GLN  43   5.815  -1.491   6.891
  331    HB3  GLN  43           HB3      GLN  43   6.670  -2.328   5.598
  332    HG2  GLN  43           HG2      GLN  43   8.643  -0.784   5.976
  333    HG3  GLN  43           HG3      GLN  43   7.760  -0.059   7.326
  334   HE21  GLN  43          HE21      GLN  43   8.117  -1.069   9.365
  335   HE22  GLN  43          HE22      GLN  43   8.852  -2.661   9.506
  336    H    GLY  44           H        GLY  44   8.033   1.230   4.724
  337    HA2  GLY  44           HA2      GLY  44   9.870   1.222   3.344
  338    HA3  GLY  44           HA3      GLY  44   9.318  -0.319   2.658
  339    H    VAL  45           H        VAL  45   6.745   1.598   2.054
  340    HA   VAL  45           HA       VAL  45   7.274   2.102  -0.665
  341    HB   VAL  45           HB       VAL  45   5.028   2.134   0.139
  342   HG11  VAL  45          HG11      VAL  45   5.323   3.315   2.317
  343   HG12  VAL  45          HG12      VAL  45   5.554   4.839   1.425
  344   HG13  VAL  45          HG13      VAL  45   4.008   3.978   1.334
  345   HG21  VAL  45          HG21      VAL  45   5.590   3.309  -1.976
  346   HG22  VAL  45          HG22      VAL  45   4.183   4.009  -1.172
  347   HG23  VAL  45          HG23      VAL  45   5.747   4.841  -1.076
  348    HA   PRO  46           HA       PRO  46  10.454   5.209  -0.492
  349    HB2  PRO  46           HB2      PRO  46   9.122   6.072  -3.074
  350    HB3  PRO  46           HB3      PRO  46  10.840   5.990  -2.703
  351    HG2  PRO  46           HG2      PRO  46   9.702   3.955  -4.056
  352    HG3  PRO  46           HG3      PRO  46  10.769   3.555  -2.671
  353    HD2  PRO  46           HD2      PRO  46   7.736   3.689  -2.718
  354    HD3  PRO  46           HD3      PRO  46   8.814   2.456  -2.000
  355    H    GLU  47           H        GLU  47  10.750   7.257   0.214
  356    HA   GLU  47           HA       GLU  47   8.355   8.575   1.211
  357    HB2  GLU  47           HB2      GLU  47  11.322   9.158   1.521
  358    HB3  GLU  47           HB3      GLU  47  10.042  10.114   2.294
  359    HG2  GLU  47           HG2      GLU  47   9.159   7.941   3.300
  360    HG3  GLU  47           HG3      GLU  47  10.631   7.157   2.723
  361    H    GLU  48           H        GLU  48   9.832   8.826  -1.749
  362    HA   GLU  48           HA       GLU  48   9.290  11.649  -2.283
  363    HB2  GLU  48           HB2      GLU  48   9.668  11.104  -4.599
  364    HB3  GLU  48           HB3      GLU  48  10.954  10.426  -3.601
  365    HG2  GLU  48           HG2      GLU  48   9.915   8.187  -3.758
  366    HG3  GLU  48           HG3      GLU  48   8.595   8.847  -4.731
  367    H    TYR  49           H        TYR  49   7.336   8.787  -1.951
  368    HA   TYR  49           HA       TYR  49   5.002   9.992  -3.331
  369    HB2  TYR  49           HB2      TYR  49   5.312   7.316  -1.924
  370    HB3  TYR  49           HB3      TYR  49   3.918   7.862  -2.836
  371    HD1  TYR  49           HD1      TYR  49   4.352   8.536  -5.358
  372    HD2  TYR  49           HD2      TYR  49   6.970   6.017  -3.029
  373    HE1  TYR  49           HE1      TYR  49   5.291   7.576  -7.451
  374    HE2  TYR  49           HE2      TYR  49   7.904   5.066  -5.118
  375    HH   TYR  49           HH       TYR  49   6.758   6.036  -8.367
  376    H    ASP  50           H        ASP  50   3.392  10.979  -2.241
  377    HA   ASP  50           HA       ASP  50   3.633  11.571   0.602
  378    HB2  ASP  50           HB2      ASP  50   1.591  12.241  -1.549
  379    HB3  ASP  50           HB3      ASP  50   1.385  12.708   0.132
  380    H    LEU  51           H        LEU  51   3.026  10.215   2.185
  381    HA   LEU  51           HA       LEU  51   1.447   7.883   1.821
  382    HB2  LEU  51           HB2      LEU  51   1.919   9.475   4.376
  383    HB3  LEU  51           HB3      LEU  51   1.375   7.803   4.288
  384    HG   LEU  51           HG       LEU  51   4.116   8.914   3.590
  385   HD11  LEU  51          HD11      LEU  51   3.169   6.878   5.658
  386   HD12  LEU  51          HD12      LEU  51   3.588   8.573   5.985
  387   HD13  LEU  51          HD13      LEU  51   4.837   7.441   5.430
  388   HD21  LEU  51          HD21      LEU  51   4.847   6.615   3.100
  389   HD22  LEU  51          HD22      LEU  51   3.641   7.152   1.930
  390   HD23  LEU  51          HD23      LEU  51   3.180   6.032   3.237
  391    H    LYS  52           H        LYS  52   0.458  11.101   2.973
  392    HA   LYS  52           HA       LYS  52  -2.284  10.624   3.437
  393    HB2  LYS  52           HB2      LYS  52  -2.552  13.009   3.254
  394    HB3  LYS  52           HB3      LYS  52  -1.052  12.595   4.095
  395    HG2  LYS  52           HG2      LYS  52   0.240  13.018   2.047
  396    HG3  LYS  52           HG3      LYS  52  -1.252  13.512   1.215
  397    HD2  LYS  52           HD2      LYS  52  -1.547  15.359   2.832
  398    HD3  LYS  52           HD3      LYS  52  -0.079  14.847   3.696
  399    HE2  LYS  52           HE2      LYS  52   1.258  15.214   1.624
  400    HE3  LYS  52           HE3      LYS  52  -0.199  15.749   0.778
  401    HZ1  LYS  52           HZ1      LYS  52   0.990  17.090   3.145
  402    HZ2  LYS  52           HZ2      LYS  52  -0.358  17.592   2.362
  403    HZ3  LYS  52           HZ3      LYS  52   1.090  17.625   1.606
  404    H    ARG  53           H        ARG  53  -0.663  11.215   0.373
  405    HA   ARG  53           HA       ARG  53  -3.101  11.245  -1.220
  406    HB2  ARG  53           HB2      ARG  53  -0.986  12.312  -1.970
  407    HB3  ARG  53           HB3      ARG  53  -0.238  10.722  -2.110
  408    HG2  ARG  53           HG2      ARG  53  -0.891  11.510  -4.287
  409    HG3  ARG  53           HG3      ARG  53  -1.839  10.084  -3.875
  410    HD2  ARG  53           HD2      ARG  53  -3.772  11.532  -3.300
  411    HD3  ARG  53           HD3      ARG  53  -2.792  12.972  -3.655
  412    HE   ARG  53           HE       ARG  53  -2.789  11.202  -5.904
  413   HH11  ARG  53          HH11      ARG  53  -4.957  13.501  -4.309
  414   HH12  ARG  53          HH12      ARG  53  -5.850  13.807  -5.766
  415   HH21  ARG  53          HH21      ARG  53  -3.974  11.656  -7.751
  416   HH22  ARG  53          HH22      ARG  53  -5.295  12.781  -7.687
  417    H    ILE  54           H        ILE  54  -0.842   8.677  -0.196
  418    HA   ILE  54           HA       ILE  54  -2.053   6.524  -1.733
  419    HB   ILE  54           HB       ILE  54  -0.431   6.403   0.825
  420   HG12  ILE  54          HG12      ILE  54   0.368   5.966  -2.087
  421   HG13  ILE  54          HG13      ILE  54   0.746   7.408  -1.168
  422   HG21  ILE  54          HG21      ILE  54  -1.291   4.232  -1.145
  423   HG22  ILE  54          HG22      ILE  54  -0.132   3.993   0.181
  424   HG23  ILE  54          HG23      ILE  54  -1.799   4.384   0.549
  425   HD11  ILE  54          HD11      ILE  54   2.044   5.993   0.463
  426   HD12  ILE  54          HD12      ILE  54   1.839   4.629  -0.661
  427   HD13  ILE  54          HD13      ILE  54   2.707   6.079  -1.180
  428    H    LEU  55           H        LEU  55  -2.736   7.851   1.578
  429    HA   LEU  55           HA       LEU  55  -4.965   6.150   2.093
  430    HB2  LEU  55           HB2      LEU  55  -4.819   9.099   2.861
  431    HB3  LEU  55           HB3      LEU  55  -5.777   7.830   3.574
  432    HG   LEU  55           HG       LEU  55  -2.828   8.354   3.892
  433   HD11  LEU  55          HD11      LEU  55  -5.128   7.973   5.851
  434   HD12  LEU  55          HD12      LEU  55  -4.433   9.529   5.343
  435   HD13  LEU  55          HD13      LEU  55  -3.455   8.389   6.276
  436   HD21  LEU  55          HD21      LEU  55  -2.881   5.972   3.534
  437   HD22  LEU  55          HD22      LEU  55  -4.272   5.779   4.646
  438   HD23  LEU  55          HD23      LEU  55  -2.680   6.287   5.261
  439    H    LYS  56           H        LYS  56  -5.003   9.449   0.571
  440    HA   LYS  56           HA       LYS  56  -7.681   9.583   0.009
  441    HB2  LYS  56           HB2      LYS  56  -5.874  11.347  -0.161
  442    HB3  LYS  56           HB3      LYS  56  -5.350  10.611  -1.675
  443    HG2  LYS  56           HG2      LYS  56  -6.667  12.552  -2.122
  444    HG3  LYS  56           HG3      LYS  56  -7.542  11.123  -2.693
  445    HD2  LYS  56           HD2      LYS  56  -9.020  11.206  -0.720
  446    HD3  LYS  56           HD3      LYS  56  -8.062  12.536  -0.034
  447    HE2  LYS  56           HE2      LYS  56  -8.654  13.952  -2.003
  448    HE3  LYS  56           HE3      LYS  56  -9.613  12.625  -2.669
  449    HZ1  LYS  56           HZ1      LYS  56 -11.050  12.768  -0.706
  450    HZ2  LYS  56           HZ2      LYS  56 -11.001  14.209  -1.471
  451    HZ3  LYS  56           HZ3      LYS  56 -10.159  13.995  -0.090
  452    H    VAL  57           H        VAL  57  -5.202   8.244  -2.216
  453    HA   VAL  57           HA       VAL  57  -7.122   7.682  -4.281
  454    HB   VAL  57           HB       VAL  57  -4.705   8.052  -4.655
  455   HG11  VAL  57          HG11      VAL  57  -3.071   6.465  -4.337
  456   HG12  VAL  57          HG12      VAL  57  -3.954   6.522  -2.821
  457   HG13  VAL  57          HG13      VAL  57  -4.235   5.165  -3.928
  458   HG21  VAL  57          HG21      VAL  57  -6.175   7.118  -6.419
  459   HG22  VAL  57          HG22      VAL  57  -4.504   6.553  -6.555
  460   HG23  VAL  57          HG23      VAL  57  -5.750   5.472  -5.891
  461    H    LEU  58           H        LEU  58  -5.793   5.561  -1.672
  462    HA   LEU  58           HA       LEU  58  -7.175   3.198  -2.648
  463    HB2  LEU  58           HB2      LEU  58  -5.974   3.878   0.060
  464    HB3  LEU  58           HB3      LEU  58  -6.568   2.285  -0.402
  465    HG   LEU  58           HG       LEU  58  -4.275   3.734  -1.814
  466   HD11  LEU  58          HD11      LEU  58  -4.168   1.404   0.126
  467   HD12  LEU  58          HD12      LEU  58  -3.749   3.074   0.538
  468   HD13  LEU  58          HD13      LEU  58  -2.794   2.186  -0.667
  469   HD21  LEU  58          HD21      LEU  58  -3.805   1.467  -2.769
  470   HD22  LEU  58          HD22      LEU  58  -5.283   2.218  -3.365
  471   HD23  LEU  58          HD23      LEU  58  -5.376   0.920  -2.146
  472    H    LYS  59           H        LYS  59  -8.142   5.792  -0.384
  473    HA   LYS  59           HA       LYS  59 -10.688   4.522   0.260
  474    HB2  LYS  59           HB2      LYS  59  -9.773   7.427   0.410
  475    HB3  LYS  59           HB3      LYS  59 -11.323   6.813   1.012
  476    HG2  LYS  59           HG2      LYS  59 -10.046   5.187   2.460
  477    HG3  LYS  59           HG3      LYS  59  -8.559   5.982   1.997
  478    HD2  LYS  59           HD2      LYS  59  -9.682   8.186   2.845
  479    HD3  LYS  59           HD3      LYS  59 -10.867   7.101   3.606
  480    HE2  LYS  59           HE2      LYS  59  -8.750   5.865   4.549
  481    HE3  LYS  59           HE3      LYS  59  -7.865   7.312   4.084
  482    HZ1  LYS  59           HZ1      LYS  59  -8.575   7.432   6.382
  483    HZ2  LYS  59           HZ2      LYS  59 -10.144   7.203   5.987
  484    HZ3  LYS  59           HZ3      LYS  59  -9.379   8.591   5.541
  485    H    LYS  60           H        LYS  60  -9.638   6.691  -2.358
  486    HA   LYS  60           HA       LYS  60 -12.292   7.155  -3.394
  487    HB2  LYS  60           HB2      LYS  60 -10.418   8.704  -3.633
  488    HB3  LYS  60           HB3      LYS  60  -9.528   7.539  -4.624
  489    HG2  LYS  60           HG2      LYS  60 -11.144   7.726  -6.424
  490    HG3  LYS  60           HG3      LYS  60 -12.277   8.604  -5.391
  491    HD2  LYS  60           HD2      LYS  60 -11.180  10.143  -6.943
  492    HD3  LYS  60           HD3      LYS  60 -10.802  10.526  -5.271
  493    HE2  LYS  60           HE2      LYS  60  -8.804  10.815  -6.545
  494    HE3  LYS  60           HE3      LYS  60  -8.577   9.398  -5.517
  495    HZ1  LYS  60           HZ1      LYS  60  -8.967   7.984  -7.425
  496    HZ2  LYS  60           HZ2      LYS  60  -7.831   9.074  -7.840
  497    HZ3  LYS  60           HZ3      LYS  60  -9.361   9.264  -8.382
  498    H    ASP  61           H        ASP  61  -9.619   5.209  -4.818
  499    HA   ASP  61           HA       ASP  61 -11.421   4.173  -6.873
  500    HB2  ASP  61           HB2      ASP  61  -8.457   3.829  -6.294
  501    HB3  ASP  61           HB3      ASP  61  -9.281   3.018  -7.622
  502    H    PHE  62           H        PHE  62  -9.731   2.707  -4.067
  503    HA   PHE  62           HA       PHE  62 -10.854   0.042  -4.717
  504    HB2  PHE  62           HB2      PHE  62  -8.890   0.983  -2.592
  505    HB3  PHE  62           HB3      PHE  62  -9.453  -0.657  -2.766
  506    HD1  PHE  62           HD2      PHE  62  -7.530   2.036  -4.524
  507    HD2  PHE  62           HD1      PHE  62  -8.493  -2.163  -4.313
  508    HE1  PHE  62           HE2      PHE  62  -5.623   1.523  -6.003
  509    HE2  PHE  62           HE1      PHE  62  -6.581  -2.669  -5.807
  510    HZ   PHE  62           HZ       PHE  62  -5.138  -0.839  -6.655
  511    H    ALA  63           H        ALA  63 -11.974   2.720  -3.079
  512    HA   ALA  63           HA       ALA  63 -13.591   3.156  -1.551
  513    HB1  ALA  63           HB1      ALA  63 -14.872   1.783  -3.182
  514    HB2  ALA  63           HB2      ALA  63 -14.574   0.342  -2.181
  515    HB3  ALA  63           HB3      ALA  63 -15.525   1.693  -1.538
  516    H    CYS  64           H        CYS  64 -11.069   2.002  -0.523
  517    HA   CYS  64           HA       CYS  64 -11.790   0.361   1.821
  518    HB2  CYS  64           HB2      CYS  64  -9.180   1.459   0.671
  519    HB3  CYS  64           HB3      CYS  64  -9.258   0.514   2.164
  520    HG   CYS  64           HG       CYS  64 -10.609  -0.447  -0.708
  521    H    ASN  65           H        ASN  65 -10.231   1.181   3.808
  522    HA   ASN  65           HA       ASN  65 -10.420   4.056   4.268
  523    HB2  ASN  65           HB2      ASN  65 -12.604   3.054   5.128
  524    HB3  ASN  65           HB3      ASN  65 -11.645   2.195   6.333
  525   HD21  ASN  65          HD21      ASN  65 -13.300   3.605   7.650
  526   HD22  ASN  65          HD22      ASN  65 -12.716   5.193   8.120
  527    H    GLY  66           H        GLY  66  -9.001   4.704   6.119
  528    HA2  GLY  66           HA2      GLY  66  -7.046   2.956   7.243
  529    HA3  GLY  66           HA3      GLY  66  -6.466   3.465   5.683
  530    H    ASN  67           H        ASN  67  -4.881   4.013   7.503
  531    HA   ASN  67           HA       ASN  67  -4.793   6.901   7.951
  532    HB2  ASN  67           HB2      ASN  67  -4.738   6.776  10.402
  533    HB3  ASN  67           HB3      ASN  67  -6.283   6.222   9.779
  534   HD21  ASN  67          HD21      ASN  67  -3.292   5.218  11.428
  535   HD22  ASN  67          HD22      ASN  67  -3.839   3.580  11.769
  536    H    ILE  68           H        ILE  68  -2.775   7.548   9.127
  537    HA   ILE  68           HA       ILE  68  -0.467   5.734   8.530
  538    HB   ILE  68           HB       ILE  68  -0.626   8.715   9.093
  539   HG12  ILE  68          HG12      ILE  68   0.382   7.347   6.562
  540   HG13  ILE  68          HG13      ILE  68  -1.314   7.740   6.765
  541   HG21  ILE  68          HG21      ILE  68   1.826   8.769   8.566
  542   HG22  ILE  68          HG22      ILE  68   1.481   7.891  10.045
  543   HG23  ILE  68          HG23      ILE  68   1.844   6.997   8.548
  544   HD11  ILE  68          HD11      ILE  68   0.961   9.747   6.721
  545   HD12  ILE  68          HD12      ILE  68  -0.319   9.511   5.517
  546   HD13  ILE  68          HD13      ILE  68  -0.728  10.141   7.118
  547    H    VAL  69           H        VAL  69   0.946   5.099  10.143
  548    HA   VAL  69           HA       VAL  69   0.593   6.123  12.928
  549    HB   VAL  69           HB       VAL  69   0.875   3.161  12.232
  550   HG11  VAL  69          HG11      VAL  69   0.852   4.535  14.952
  551   HG12  VAL  69          HG12      VAL  69   0.713   2.782  14.697
  552   HG13  VAL  69          HG13      VAL  69   2.192   3.610  14.234
  553   HG21  VAL  69          HG21      VAL  69  -1.276   2.917  13.478
  554   HG22  VAL  69          HG22      VAL  69  -1.411   4.686  13.545
  555   HG23  VAL  69          HG23      VAL  69  -1.431   3.837  11.978
  556    H    LYS  70           H        LYS  70   2.561   6.406  13.978
  557    HA   LYS  70           HA       LYS  70   5.033   5.465  12.566
  558    HB2  LYS  70           HB2      LYS  70   4.606   7.958  12.682
  559    HB3  LYS  70           HB3      LYS  70   4.865   7.858  14.430
  560    HG2  LYS  70           HG2      LYS  70   7.154   7.112  14.118
  561    HG3  LYS  70           HG3      LYS  70   6.873   6.793  12.394
  562    HD2  LYS  70           HD2      LYS  70   6.427   9.227  12.040
  563    HD3  LYS  70           HD3      LYS  70   6.896   9.541  13.720
  564    HE2  LYS  70           HE2      LYS  70   9.157   8.916  13.326
  565    HE3  LYS  70           HE3      LYS  70   8.740   7.993  11.874
  566    HZ1  LYS  70           HZ1      LYS  70   9.774  10.096  11.288
  567    HZ2  LYS  70           HZ2      LYS  70   8.591  10.945  12.044
  568    HZ3  LYS  70           HZ3      LYS  70   8.233  10.023  10.727
  569    H    ASP  71           H        ASP  71   5.263   3.513  13.447
  570    HA   ASP  71           HA       ASP  71   4.656   2.985  16.253
  571    HB2  ASP  71           HB2      ASP  71   3.989   1.554  14.237
  572    HB3  ASP  71           HB3      ASP  71   5.688   1.155  14.087
  573    HA   PRO  72           HA       PRO  72   8.925   3.052  17.741
  574    HB2  PRO  72           HB2      PRO  72   8.055   0.675  19.392
  575    HB3  PRO  72           HB3      PRO  72   8.967   2.130  19.902
  576    HG2  PRO  72           HG2      PRO  72   6.325   1.914  20.444
  577    HG3  PRO  72           HG3      PRO  72   6.991   3.472  19.847
  578    HD2  PRO  72           HD2      PRO  72   5.523   1.330  18.300
  579    HD3  PRO  72           HD3      PRO  72   5.324   3.110  18.248
  580    H    GLU  73           H        GLU  73   7.492  -0.073  16.720
  581    HA   GLU  73           HA       GLU  73  10.209  -1.195  16.127
  582    HB2  GLU  73           HB2      GLU  73   7.487  -2.532  16.415
  583    HB3  GLU  73           HB3      GLU  73   8.984  -3.358  16.011
  584    HG2  GLU  73           HG2      GLU  73   8.420  -1.876  18.619
  585    HG3  GLU  73           HG3      GLU  73   8.350  -3.614  18.379
  586    H    MET  74           H        MET  74   6.914  -0.855  14.712
  587    HA   MET  74           HA       MET  74   7.788  -1.841  12.104
  588    HB2  MET  74           HB2      MET  74   5.140  -0.600  12.958
  589    HB3  MET  74           HB3      MET  74   5.458  -1.347  11.414
  590    HG2  MET  74           HG2      MET  74   5.988  -3.495  12.589
  591    HG3  MET  74           HG3      MET  74   5.578  -2.722  14.125
  592    HE1  MET  74           HE1      MET  74   4.307  -5.442  13.260
  593    HE2  MET  74           HE2      MET  74   3.858  -4.591  14.754
  594    HE3  MET  74           HE3      MET  74   2.596  -5.186  13.657
  595    H    GLY  75           H        GLY  75   7.839   1.329  13.497
  596    HA2  GLY  75           HA2      GLY  75   8.685   3.303  12.606
  597    HA3  GLY  75           HA3      GLY  75   8.902   2.492  11.044
  598    H    GLU  76           H        GLU  76   8.168   4.564  10.154
  599    HA   GLU  76           HA       GLU  76   5.434   5.388  10.447
  600    HB2  GLU  76           HB2      GLU  76   7.634   6.691   9.749
  601    HB3  GLU  76           HB3      GLU  76   7.175   6.184   8.118
  602    HG2  GLU  76           HG2      GLU  76   4.959   7.214   8.454
  603    HG3  GLU  76           HG3      GLU  76   5.399   7.651  10.110
  604    H    ILE  77           H        ILE  77   3.794   4.256   9.732
  605    HA   ILE  77           HA       ILE  77   3.871   2.693   7.187
  606    HB   ILE  77           HB       ILE  77   2.556   0.921   8.373
  607   HG12  ILE  77          HG12      ILE  77   3.513   2.217  10.961
  608   HG13  ILE  77          HG13      ILE  77   1.864   2.291  10.348
  609   HG21  ILE  77          HG21      ILE  77   4.986   0.730   7.837
  610   HG22  ILE  77          HG22      ILE  77   5.348   1.224   9.504
  611   HG23  ILE  77          HG23      ILE  77   4.441  -0.278   9.175
  612   HD11  ILE  77          HD11      ILE  77   3.321  -0.229  11.200
  613   HD12  ILE  77          HD12      ILE  77   2.009   0.597  12.052
  614   HD13  ILE  77          HD13      ILE  77   1.693  -0.170  10.488
  615    H    ILE  78           H        ILE  78   1.911   2.280   6.198
  616    HA   ILE  78           HA       ILE  78  -0.467   3.859   7.125
  617    HB   ILE  78           HB       ILE  78   0.215   2.616   4.445
  618   HG12  ILE  78          HG12      ILE  78  -0.424   5.532   5.017
  619   HG13  ILE  78          HG13      ILE  78   1.221   4.912   5.166
  620   HG21  ILE  78          HG21      ILE  78  -2.395   3.878   5.367
  621   HG22  ILE  78          HG22      ILE  78  -1.989   3.588   3.662
  622   HG23  ILE  78          HG23      ILE  78  -2.148   2.230   4.757
  623   HD11  ILE  78          HD11      ILE  78   0.878   5.878   2.951
  624   HD12  ILE  78          HD12      ILE  78   1.212   4.135   2.850
  625   HD13  ILE  78          HD13      ILE  78  -0.445   4.756   2.631
  626    H    GLN  79           H        GLN  79  -2.196   2.824   7.864
  627    HA   GLN  79           HA       GLN  79  -2.399  -0.160   7.747
  628    HB2  GLN  79           HB2      GLN  79  -3.666   1.920   9.582
  629    HB3  GLN  79           HB3      GLN  79  -4.141   0.220   9.542
  630    HG2  GLN  79           HG2      GLN  79  -1.944  -0.490  10.298
  631    HG3  GLN  79           HG3      GLN  79  -1.321   1.163  10.238
  632   HE21  GLN  79          HE21      GLN  79  -1.775  -0.888  12.571
  633   HE22  GLN  79          HE22      GLN  79  -2.585   0.139  13.745
  634    H    LEU  80           H        LEU  80  -3.917  -0.877   6.324
  635    HA   LEU  80           HA       LEU  80  -6.221   0.878   5.589
  636    HB2  LEU  80           HB2      LEU  80  -4.372  -0.027   3.810
  637    HB3  LEU  80           HB3      LEU  80  -5.369  -1.477   3.914
  638    HG   LEU  80           HG       LEU  80  -7.360  -0.098   3.246
  639   HD11  LEU  80          HD11      LEU  80  -6.949   2.107   2.177
  640   HD12  LEU  80          HD12      LEU  80  -5.239   2.031   2.650
  641   HD13  LEU  80          HD13      LEU  80  -6.500   2.172   3.882
  642   HD21  LEU  80          HD21      LEU  80  -6.638   0.063   0.830
  643   HD22  LEU  80          HD22      LEU  80  -6.127  -1.449   1.589
  644   HD23  LEU  80          HD23      LEU  80  -4.959  -0.163   1.365
  645    H    GLN  81           H        GLN  81  -8.296  -0.078   5.794
  646    HA   GLN  81           HA       GLN  81  -8.411  -2.240   7.756
  647    HB2  GLN  81           HB2      GLN  81 -10.577  -0.607   6.374
  648    HB3  GLN  81           HB3      GLN  81 -10.885  -1.842   7.605
  649    HG2  GLN  81           HG2      GLN  81  -9.462  -0.599   9.228
  650    HG3  GLN  81           HG3      GLN  81  -9.156   0.640   8.013
  651   HE21  GLN  81          HE21      GLN  81 -10.057   2.261   9.473
  652   HE22  GLN  81          HE22      GLN  81 -11.795   2.363   9.675
  653    H    GLY  82           H        GLY  82  -8.921  -4.315   7.539
  654    HA2  GLY  82           HA2      GLY  82  -9.687  -6.300   6.572
  655    HA3  GLY  82           HA3      GLY  82  -9.957  -5.486   5.023
  656    H    ASP  83           H        ASP  83  -8.924  -7.629   4.437
  657    HA   ASP  83           HA       ASP  83  -5.961  -7.634   4.481
  658    HB2  ASP  83           HB2      ASP  83  -6.159  -9.912   3.709
  659    HB3  ASP  83           HB3      ASP  83  -7.029  -9.654   5.211
  660    H    GLN  84           H        GLN  84  -5.505  -5.974   3.061
  661    HA   GLN  84           HA       GLN  84  -6.497  -6.135   0.252
  662    HB2  GLN  84           HB2      GLN  84  -5.402  -3.689   1.636
  663    HB3  GLN  84           HB3      GLN  84  -6.426  -3.767   0.205
  664    HG2  GLN  84           HG2      GLN  84  -7.239  -4.244   3.105
  665    HG3  GLN  84           HG3      GLN  84  -7.687  -2.894   2.098
  666   HE21  GLN  84          HE21      GLN  84  -9.692  -3.998   3.335
  667   HE22  GLN  84          HE22      GLN  84 -10.674  -4.989   2.243
  668    H    ARG  85           H        ARG  85  -4.043  -7.439   1.498
  669    HA   ARG  85           HA       ARG  85  -1.794  -6.031   0.761
  670    HB2  ARG  85           HB2      ARG  85  -0.544  -8.123   1.075
  671    HB3  ARG  85           HB3      ARG  85  -1.712  -7.798   2.347
  672    HG2  ARG  85           HG2      ARG  85  -3.318  -9.405   1.242
  673    HG3  ARG  85           HG3      ARG  85  -2.038  -9.831   0.091
  674    HD2  ARG  85           HD2      ARG  85  -0.641 -10.690   1.886
  675    HD3  ARG  85           HD3      ARG  85  -1.744 -10.055   3.108
  676    HE   ARG  85           HE       ARG  85  -3.219 -11.800   1.426
  677   HH11  ARG  85          HH11      ARG  85  -0.569 -12.107   3.778
  678   HH12  ARG  85          HH12      ARG  85  -1.219 -13.646   4.360
  679   HH21  ARG  85          HH21      ARG  85  -3.861 -13.851   2.246
  680   HH22  ARG  85          HH22      ARG  85  -2.887 -14.566   3.527
  681    H    ALA  86           H        ALA  86  -3.476  -8.405  -1.281
  682    HA   ALA  86           HA       ALA  86  -1.663  -8.164  -3.540
  683    HB1  ALA  86           HB1      ALA  86  -3.112 -10.129  -3.142
  684    HB2  ALA  86           HB2      ALA  86  -4.563  -9.118  -3.336
  685    HB3  ALA  86           HB3      ALA  86  -3.471  -9.384  -4.712
  686    H    LYS  87           H        LYS  87  -4.685  -6.507  -2.598
  687    HA   LYS  87           HA       LYS  87  -5.062  -5.035  -5.038
  688    HB2  LYS  87           HB2      LYS  87  -5.969  -4.422  -2.189
  689    HB3  LYS  87           HB3      LYS  87  -6.574  -3.645  -3.642
  690    HG2  LYS  87           HG2      LYS  87  -7.422  -5.856  -4.469
  691    HG3  LYS  87           HG3      LYS  87  -6.857  -6.598  -2.955
  692    HD2  LYS  87           HD2      LYS  87  -8.259  -4.846  -1.731
  693    HD3  LYS  87           HD3      LYS  87  -9.008  -4.466  -3.287
  694    HE2  LYS  87           HE2      LYS  87  -9.878  -6.721  -3.509
  695    HE3  LYS  87           HE3      LYS  87  -8.888  -7.295  -2.156
  696    HZ1  LYS  87           HZ1      LYS  87 -10.145  -5.866  -0.679
  697    HZ2  LYS  87           HZ2      LYS  87 -11.151  -6.926  -1.430
  698    HZ3  LYS  87           HZ3      LYS  87 -11.114  -5.358  -1.905
  699    H    VAL  88           H        VAL  88  -3.481  -4.107  -1.951
  700    HA   VAL  88           HA       VAL  88  -2.654  -1.522  -2.948
  701    HB   VAL  88           HB       VAL  88  -1.561  -3.126  -0.617
  702   HG11  VAL  88          HG11      VAL  88  -1.099  -0.200  -1.383
  703   HG12  VAL  88          HG12      VAL  88  -0.660  -0.931   0.172
  704   HG13  VAL  88          HG13      VAL  88   0.141  -1.470  -1.296
  705   HG21  VAL  88          HG21      VAL  88  -3.949  -2.457  -0.369
  706   HG22  VAL  88          HG22      VAL  88  -2.916  -1.547   0.737
  707   HG23  VAL  88          HG23      VAL  88  -3.518  -0.784  -0.753
  708    H    CYS  89           H        CYS  89  -1.019  -4.745  -3.016
  709    HA   CYS  89           HA       CYS  89   1.441  -3.866  -4.164
  710    HB2  CYS  89           HB2      CYS  89   0.958  -6.138  -3.279
  711    HB3  CYS  89           HB3      CYS  89  -0.130  -6.445  -4.643
  712    HG   CYS  89           HG       CYS  89   2.133  -7.711  -5.070
  713    H    GLU  90           H        GLU  90  -1.591  -4.871  -5.816
  714    HA   GLU  90           HA       GLU  90  -0.815  -4.211  -8.435
  715    HB2  GLU  90           HB2      GLU  90  -2.798  -5.553  -7.723
  716    HB3  GLU  90           HB3      GLU  90  -3.617  -4.058  -7.248
  717    HG2  GLU  90           HG2      GLU  90  -3.512  -3.238  -9.560
  718    HG3  GLU  90           HG3      GLU  90  -2.554  -4.647 -10.037
  719    H    PHE  91           H        PHE  91  -2.154  -2.000  -5.892
  720    HA   PHE  91           HA       PHE  91  -2.475   0.286  -7.586
  721    HB2  PHE  91           HB2      PHE  91  -3.495   0.352  -5.438
  722    HB3  PHE  91           HB3      PHE  91  -2.032  -0.123  -4.615
  723    HD1  PHE  91           HD2      PHE  91  -3.411   2.670  -6.705
  724    HD2  PHE  91           HD1      PHE  91  -0.583   1.466  -3.684
  725    HE1  PHE  91           HE2      PHE  91  -2.697   5.031  -6.426
  726    HE2  PHE  91           HE1      PHE  91   0.084   3.838  -3.361
  727    HZ   PHE  91           HZ       PHE  91  -0.987   5.630  -4.738
  728    H    MET  92           H        MET  92   0.300  -0.757  -5.576
  729    HA   MET  92           HA       MET  92   2.051   1.422  -6.168
  730    HB2  MET  92           HB2      MET  92   2.623  -1.468  -5.453
  731    HB3  MET  92           HB3      MET  92   3.832  -0.192  -5.396
  732    HG2  MET  92           HG2      MET  92   1.257  -0.019  -3.801
  733    HG3  MET  92           HG3      MET  92   2.629  -0.943  -3.217
  734    HE1  MET  92           HE1      MET  92   1.888   0.557  -1.096
  735    HE2  MET  92           HE2      MET  92   2.129   2.320  -1.023
  736    HE3  MET  92           HE3      MET  92   0.843   1.642  -2.034
  737    H    ILE  93           H        ILE  93   1.577  -1.719  -7.799
  738    HA   ILE  93           HA       ILE  93   3.549  -1.273  -9.878
  739    HB   ILE  93           HB       ILE  93   1.175  -3.166  -9.700
  740   HG12  ILE  93          HG12      ILE  93   4.143  -3.821  -9.425
  741   HG13  ILE  93          HG13      ILE  93   3.163  -3.383  -8.040
  742   HG21  ILE  93          HG21      ILE  93   2.268  -4.437 -11.549
  743   HG22  ILE  93          HG22      ILE  93   1.781  -2.837 -12.079
  744   HG23  ILE  93          HG23      ILE  93   3.489  -3.159 -11.698
  745   HD11  ILE  93          HD11      ILE  93   2.576  -5.783  -9.819
  746   HD12  ILE  93          HD12      ILE  93   3.361  -5.816  -8.238
  747   HD13  ILE  93          HD13      ILE  93   1.672  -5.285  -8.378
  748    H    SER  94           H        SER  94  -0.011  -0.866  -9.891
  749    HA   SER  94           HA       SER  94  -0.100  -0.104 -12.661
  750    HB2  SER  94           HB2      SER  94  -1.942  -1.209 -11.533
  751    HB3  SER  94           HB3      SER  94  -2.110   0.134 -10.391
  752    HG   SER  94           HG       SER  94  -3.590   0.045 -12.300
  753    H    GLN  95           H        GLN  95  -0.329   1.893  -9.668
  754    HA   GLN  95           HA       GLN  95  -0.740   4.311 -11.364
  755    HB2  GLN  95           HB2      GLN  95  -1.114   3.845  -8.380
  756    HB3  GLN  95           HB3      GLN  95  -1.524   5.320  -9.251
  757    HG2  GLN  95           HG2      GLN  95  -2.824   2.586  -9.664
  758    HG3  GLN  95           HG3      GLN  95  -3.525   3.963  -8.829
  759   HE21  GLN  95          HE21      GLN  95  -3.079   2.485 -11.993
  760   HE22  GLN  95          HE22      GLN  95  -3.827   3.803 -12.878
  761    H    LEU  96           H        LEU  96   1.551   3.108  -8.860
  762    HA   LEU  96           HA       LEU  96   3.033   5.673  -9.008
  763    HB2  LEU  96           HB2      LEU  96   3.768   3.190  -7.422
  764    HB3  LEU  96           HB3      LEU  96   4.386   4.810  -7.239
  765    HG   LEU  96           HG       LEU  96   1.576   3.881  -6.540
  766   HD11  LEU  96          HD11      LEU  96   2.255   4.454  -4.258
  767   HD12  LEU  96          HD12      LEU  96   3.840   5.012  -4.839
  768   HD13  LEU  96          HD13      LEU  96   3.393   3.303  -4.975
  769   HD21  LEU  96          HD21      LEU  96   1.230   6.204  -5.652
  770   HD22  LEU  96          HD22      LEU  96   1.332   6.152  -7.414
  771   HD23  LEU  96          HD23      LEU  96   2.725   6.709  -6.462
  772    H    GLY  97           H        GLY  97   3.144   2.593 -10.558
  773    HA2  GLY  97           HA2      GLY  97   4.481   1.894 -12.325
  774    HA3  GLY  97           HA3      GLY  97   5.478   3.363 -12.156
  775    H    LEU  98           H        LEU  98   5.040   1.505  -9.247
  776    HA   LEU  98           HA       LEU  98   7.884   0.927  -9.099
  777    HB2  LEU  98           HB2      LEU  98   5.517   0.196  -7.338
  778    HB3  LEU  98           HB3      LEU  98   7.165  -0.272  -6.959
  779    HG   LEU  98           HG       LEU  98   6.377   2.647  -7.390
  780   HD11  LEU  98          HD11      LEU  98   6.291   2.854  -4.928
  781   HD12  LEU  98          HD12      LEU  98   6.464   1.092  -4.776
  782   HD13  LEU  98          HD13      LEU  98   5.031   1.783  -5.557
  783   HD21  LEU  98          HD21      LEU  98   8.769   1.322  -6.024
  784   HD22  LEU  98          HD22      LEU  98   8.450   3.065  -6.072
  785   HD23  LEU  98          HD23      LEU  98   8.797   2.200  -7.568
  786    H    GLN  99           H        GLN  99   8.929  -1.074  -9.424
  787    HA   GLN  99           HA       GLN  99   7.499  -2.757 -11.357
  788    HB2  GLN  99           HB2      GLN  99  10.335  -3.018 -10.272
  789    HB3  GLN  99           HB3      GLN  99   9.655  -3.898 -11.635
  790    HG2  GLN  99           HG2      GLN  99  10.082  -0.872 -11.514
  791    HG3  GLN  99           HG3      GLN  99  11.082  -2.030 -12.378
  792   HE21  GLN  99          HE21      GLN  99   8.134  -0.088 -12.587
  793   HE22  GLN  99          HE22      GLN  99   7.676  -0.700 -14.164
  794    H    LYS 100           H        LYS 100   7.083  -4.996 -11.176
  795    HA   LYS 100           HA       LYS 100   5.783  -5.676  -8.809
  796    HB2  LYS 100           HB2      LYS 100   6.774  -7.719 -10.786
  797    HB3  LYS 100           HB3      LYS 100   5.379  -7.781  -9.692
  798    HG2  LYS 100           HG2      LYS 100   4.540  -5.664 -11.021
  799    HG3  LYS 100           HG3      LYS 100   5.734  -6.164 -12.231
  800    HD2  LYS 100           HD2      LYS 100   4.707  -8.479 -12.089
  801    HD3  LYS 100           HD3      LYS 100   3.380  -7.772 -11.156
  802    HE2  LYS 100           HE2      LYS 100   2.898  -6.190 -13.021
  803    HE3  LYS 100           HE3      LYS 100   4.217  -6.897 -13.964
  804    HZ1  LYS 100           HZ1      LYS 100   3.011  -9.010 -13.949
  805    HZ2  LYS 100           HZ2      LYS 100   2.079  -7.838 -14.597
  806    HZ3  LYS 100           HZ3      LYS 100   1.790  -8.360 -13.077
  807    H    LYS 101           H        LYS 101   9.055  -6.526  -9.794
  808    HA   LYS 101           HA       LYS 101   9.760  -8.311  -7.672
  809    HB2  LYS 101           HB2      LYS 101  12.026  -8.011  -8.477
  810    HB3  LYS 101           HB3      LYS 101  10.904  -8.220  -9.819
  811    HG2  LYS 101           HG2      LYS 101  10.967  -5.772 -10.273
  812    HG3  LYS 101           HG3      LYS 101  12.014  -5.532  -8.871
  813    HD2  LYS 101           HD2      LYS 101  13.371  -5.491 -10.844
  814    HD3  LYS 101           HD3      LYS 101  13.754  -6.955  -9.925
  815    HE2  LYS 101           HE2      LYS 101  12.316  -8.292 -11.457
  816    HE3  LYS 101           HE3      LYS 101  11.894  -6.825 -12.352
  817    HZ1  LYS 101           HZ1      LYS 101  14.632  -7.955 -12.117
  818    HZ2  LYS 101           HZ2      LYS 101  14.244  -6.600 -12.950
  819    HZ3  LYS 101           HZ3      LYS 101  13.678  -8.050 -13.440
  820    H    ASN 102           H        ASN 102   9.399  -4.844  -7.512
  821    HA   ASN 102           HA       ASN 102  11.274  -4.487  -5.280
  822    HB2  ASN 102           HB2      ASN 102   9.065  -2.632  -6.269
  823    HB3  ASN 102           HB3      ASN 102  10.387  -2.223  -5.180
  824   HD21  ASN 102          HD21      ASN 102  12.611  -3.418  -6.583
  825   HD22  ASN 102          HD22      ASN 102  12.793  -2.490  -8.059
  826    H    ILE 103           H        ILE 103   8.146  -5.879  -5.440
  827    HA   ILE 103           HA       ILE 103   7.403  -4.863  -2.722
  828    HB   ILE 103           HB       ILE 103   5.557  -5.980  -4.852
  829   HG12  ILE 103          HG12      ILE 103   6.034  -3.049  -4.123
  830   HG13  ILE 103          HG13      ILE 103   6.633  -3.819  -5.594
  831   HG21  ILE 103          HG21      ILE 103   5.055  -4.486  -2.221
  832   HG22  ILE 103          HG22      ILE 103   3.797  -4.975  -3.370
  833   HG23  ILE 103          HG23      ILE 103   4.715  -6.204  -2.531
  834   HD11  ILE 103          HD11      ILE 103   4.303  -4.365  -6.251
  835   HD12  ILE 103          HD12      ILE 103   3.732  -3.379  -4.884
  836   HD13  ILE 103          HD13      ILE 103   4.680  -2.630  -6.183
  837    H    LYS 104           H        LYS 104   7.213  -6.169  -1.093
  838    HA   LYS 104           HA       LYS 104   7.103  -9.140  -1.473
  839    HB2  LYS 104           HB2      LYS 104   7.882  -7.486   0.959
  840    HB3  LYS 104           HB3      LYS 104   7.842  -9.250   0.871
  841    HG2  LYS 104           HG2      LYS 104   9.753  -7.432  -0.651
  842    HG3  LYS 104           HG3      LYS 104  10.108  -8.390   0.787
  843    HD2  LYS 104           HD2      LYS 104   9.451 -10.468  -0.564
  844    HD3  LYS 104           HD3      LYS 104   9.472  -9.417  -2.003
  845    HE2  LYS 104           HE2      LYS 104  11.828  -8.766  -1.438
  846    HE3  LYS 104           HE3      LYS 104  11.773  -9.844  -0.037
  847    HZ1  LYS 104           HZ1      LYS 104  11.496 -10.726  -2.862
  848    HZ2  LYS 104           HZ2      LYS 104  11.460 -11.713  -1.558
  849    HZ3  LYS 104           HZ3      LYS 104  12.832 -10.915  -1.939
  850    H    ILE 105           H        ILE 105   5.356 -10.224  -0.752
  851    HA   ILE 105           HA       ILE 105   3.207  -8.770   0.766
  852    HB   ILE 105           HB       ILE 105   2.987 -11.063  -1.227
  853   HG12  ILE 105          HG12      ILE 105   1.901  -8.198  -1.228
  854   HG13  ILE 105          HG13      ILE 105   3.209  -8.807  -2.241
  855   HG21  ILE 105          HG21      ILE 105   1.466 -11.456   0.689
  856   HG22  ILE 105          HG22      ILE 105   0.855  -9.795   0.533
  857   HG23  ILE 105          HG23      ILE 105   0.546 -11.009  -0.731
  858   HD11  ILE 105          HD11      ILE 105   1.575 -10.421  -3.293
  859   HD12  ILE 105          HD12      ILE 105   0.274  -9.566  -2.422
  860   HD13  ILE 105          HD13      ILE 105   1.259  -8.706  -3.604
  861    H    HIS 106           H        HIS 106   2.879  -9.399   2.750
  862    HA   HIS 106           HA       HIS 106   3.769 -12.110   3.693
  863    HB2  HIS 106           HB2      HIS 106   3.950  -9.544   5.281
  864    HB3  HIS 106           HB3      HIS 106   4.583 -11.116   5.726
  865    HD2  HIS 106           HD2      HIS 106   5.390  -8.102   3.458
  866    HE1  HIS 106           HE1      HIS 106   8.958 -10.377   3.894
  867    HE2  HIS 106           HE2      HIS 106   7.993  -8.171   3.081
  868    H    GLY 107           H        GLY 107   2.823 -11.860   6.322
  869    HA2  GLY 107           HA2      GLY 107   0.918 -11.364   7.675
  870    HA3  GLY 107           HA3      GLY 107  -0.071 -11.143   6.219
  871    H    PHE 108           H        PHE 108  -1.666 -12.484   6.968
  872    HA   PHE 108           HA       PHE 108  -1.342 -15.030   8.176
  873    HB2  PHE 108           HB2      PHE 108  -3.729 -13.900   6.685
  874    HB3  PHE 108           HB3      PHE 108  -3.759 -15.242   7.814
  875    HD1  PHE 108           HD2      PHE 108  -1.661 -13.390   9.711
  876    HD2  PHE 108           HD1      PHE 108  -5.640 -13.069   8.062
  877    HE1  PHE 108           HE2      PHE 108  -2.292 -11.842  11.526
  878    HE2  PHE 108           HE1      PHE 108  -6.271 -11.539   9.909
  879    HZ   PHE 108           HZ       PHE 108  -4.599 -10.914  11.638
  Start of MODEL    6
    1    H1   MET   1           H        MET   1 -34.706  13.427   6.098
    2    H2   MET   1           H2       MET   1 -34.484  12.424   7.367
    3    H3   MET   1           H3       MET   1 -35.288  11.912   6.060
    4    HA   MET   1           HA       MET   1 -33.302  12.015   4.674
    5    HB2  MET   1           HB2      MET   1 -32.318  13.941   5.879
    6    HB3  MET   1           HB3      MET   1 -31.891  12.882   7.228
    7    HG2  MET   1           HG2      MET   1 -29.989  13.345   5.720
    8    HG3  MET   1           HG3      MET   1 -30.348  11.632   5.829
    9    HE1  MET   1           HE1      MET   1 -29.006  11.721   2.249
   10    HE2  MET   1           HE2      MET   1 -28.404  12.529   3.713
   11    HE3  MET   1           HE3      MET   1 -29.043  10.871   3.808
   12    H    SER   2           H        SER   2 -32.007  10.170   4.346
   13    HA   SER   2           HA       SER   2 -32.610   7.859   6.090
   14    HB2  SER   2           HB2      SER   2 -31.596   6.591   4.186
   15    HB3  SER   2           HB3      SER   2 -33.015   7.555   3.754
   16    HG   SER   2           HG       SER   2 -31.305   7.785   2.219
   17    H    ILE   3           H        ILE   3 -30.928   6.300   6.577
   18    HA   ILE   3           HA       ILE   3 -29.131   5.756   7.874
   19    HB   ILE   3           HB       ILE   3 -27.026   5.721   6.699
   20   HG12  ILE   3          HG12      ILE   3 -28.304   7.304   4.428
   21   HG13  ILE   3          HG13      ILE   3 -27.201   8.025   5.603
   22   HG21  ILE   3          HG21      ILE   3 -28.867   4.104   6.252
   23   HG22  ILE   3          HG22      ILE   3 -29.346   5.074   4.842
   24   HG23  ILE   3          HG23      ILE   3 -27.753   4.294   4.901
   25   HD11  ILE   3          HD11      ILE   3 -25.958   7.452   3.622
   26   HD12  ILE   3          HD12      ILE   3 -25.442   6.384   4.943
   27   HD13  ILE   3          HD13      ILE   3 -26.529   5.777   3.669
   28    H    GLU   4           H        GLU   4 -26.453   7.309   7.647
   29    HA   GLU   4           HA       GLU   4 -26.849   9.682   9.226
   30    HB2  GLU   4           HB2      GLU   4 -25.838   8.903  11.286
   31    HB3  GLU   4           HB3      GLU   4 -27.349   8.071  10.999
   32    HG2  GLU   4           HG2      GLU   4 -24.598   6.872  10.414
   33    HG3  GLU   4           HG3      GLU   4 -25.467   6.673  11.925
   34    H    ASN   5           H        ASN   5 -24.763  10.621   9.929
   35    HA   ASN   5           HA       ASN   5 -22.684  10.321   7.914
   36    HB2  ASN   5           HB2      ASN   5 -23.423  12.502   8.918
   37    HB3  ASN   5           HB3      ASN   5 -22.754  11.981  10.464
   38   HD21  ASN   5          HD21      ASN   5 -21.237  13.749  10.511
   39   HD22  ASN   5          HD22      ASN   5 -19.862  13.784   9.421
   40    H    LEU   6           H        LEU   6 -20.418   9.898   8.403
   41    HA   LEU   6           HA       LEU   6 -19.763   8.399  10.861
   42    HB2  LEU   6           HB2      LEU   6 -20.630   6.709   9.261
   43    HB3  LEU   6           HB3      LEU   6 -19.474   7.258   8.048
   44    HG   LEU   6           HG       LEU   6 -17.595   6.495   9.486
   45   HD11  LEU   6          HD11      LEU   6 -18.074   5.018  11.438
   46   HD12  LEU   6          HD12      LEU   6 -19.797   5.437  11.322
   47   HD13  LEU   6          HD13      LEU   6 -18.593   6.677  11.734
   48   HD21  LEU   6          HD21      LEU   6 -19.716   4.370   8.963
   49   HD22  LEU   6          HD22      LEU   6 -17.974   4.085   9.165
   50   HD23  LEU   6          HD23      LEU   6 -18.560   5.007   7.773
   51    H    LYS   7           H        LYS   7 -17.742   8.765  11.539
   52    HA   LYS   7           HA       LYS   7 -16.098  10.746  10.167
   53    HB2  LYS   7           HB2      LYS   7 -16.621  10.717  12.602
   54    HB3  LYS   7           HB3      LYS   7 -15.668   9.242  12.785
   55    HG2  LYS   7           HG2      LYS   7 -13.630  10.435  12.103
   56    HG3  LYS   7           HG3      LYS   7 -14.559  11.906  11.776
   57    HD2  LYS   7           HD2      LYS   7 -14.279  10.565  14.503
   58    HD3  LYS   7           HD3      LYS   7 -13.305  11.928  13.933
   59    HE2  LYS   7           HE2      LYS   7 -15.379  13.294  13.666
   60    HE3  LYS   7           HE3      LYS   7 -16.336  11.951  14.304
   61    HZ1  LYS   7           HZ1      LYS   7 -14.201  13.378  15.793
   62    HZ2  LYS   7           HZ2      LYS   7 -15.082  12.130  16.382
   63    HZ3  LYS   7           HZ3      LYS   7 -15.806  13.554  16.037
   64    H    SER   8           H        SER   8 -13.857  10.528   9.652
   65    HA   SER   8           HA       SER   8 -12.620   7.853   9.502
   66    HB2  SER   8           HB2      SER   8 -13.844   8.178   7.323
   67    HB3  SER   8           HB3      SER   8 -12.884   9.637   7.051
   68    HG   SER   8           HG       SER   8 -12.073   6.919   7.063
   69    H    PHE   9           H        PHE   9 -10.292   8.005   9.078
   70    HA   PHE   9           HA       PHE   9  -8.961  10.190  10.414
   71    HB2  PHE   9           HB2      PHE   9  -8.144   7.877  10.434
   72    HB3  PHE   9           HB3      PHE   9  -7.947   7.901   8.692
   73    HD1  PHE   9           HD1      PHE   9  -6.104   9.200   7.627
   74    HD2  PHE   9           HD2      PHE   9  -6.495   8.901  11.911
   75    HE1  PHE   9           HE1      PHE   9  -3.743   9.911   7.892
   76    HE2  PHE   9           HE2      PHE   9  -4.127   9.595  12.170
   77    HZ   PHE   9           HZ       PHE   9  -2.744  10.099  10.166
   78    H    ASP  10           H        ASP  10  -8.076  12.021   9.603
   79    HA   ASP  10           HA       ASP  10  -8.950  13.028   7.118
   80    HB2  ASP  10           HB2      ASP  10  -6.774  14.031   8.979
   81    HB3  ASP  10           HB3      ASP  10  -7.427  14.934   7.617
   82    HA   PRO  11           HA       PRO  11  -5.544  11.358   4.634
   83    HB2  PRO  11           HB2      PRO  11  -6.525  11.722   2.156
   84    HB3  PRO  11           HB3      PRO  11  -7.309  10.607   3.302
   85    HG2  PRO  11           HG2      PRO  11  -8.074  13.494   2.739
   86    HG3  PRO  11           HG3      PRO  11  -9.135  12.048   2.716
   87    HD2  PRO  11           HD2      PRO  11  -8.889  13.660   4.927
   88    HD3  PRO  11           HD3      PRO  11  -9.155  11.899   5.055
   89    H    PHE  12           H        PHE  12  -4.983  13.679   5.913
   90    HA   PHE  12           HA       PHE  12  -3.105  15.050   4.288
   91    HB2  PHE  12           HB2      PHE  12  -4.069  17.321   4.420
   92    HB3  PHE  12           HB3      PHE  12  -4.943  16.262   3.340
   93    HD1  PHE  12           HD1      PHE  12  -7.222  15.445   3.902
   94    HD2  PHE  12           HD2      PHE  12  -5.114  18.199   6.465
   95    HE1  PHE  12           HE1      PHE  12  -9.359  16.044   5.023
   96    HE2  PHE  12           HE2      PHE  12  -7.247  18.779   7.594
   97    HZ   PHE  12           HZ       PHE  12  -9.373  17.705   6.873
   98    H    ALA  13           H        ALA  13  -1.651  16.133   5.540
   99    HA   ALA  13           HA       ALA  13  -1.839  16.755   8.333
  100    HB1  ALA  13           HB1      ALA  13  -1.995  14.288   8.575
  101    HB2  ALA  13           HB2      ALA  13  -0.534  14.091   7.582
  102    HB3  ALA  13           HB3      ALA  13  -0.436  14.869   9.172
  103    H    ASP  14           H        ASP  14   0.305  17.315   9.244
  104    HA   ASP  14           HA       ASP  14   2.109  18.486   7.255
  105    HB2  ASP  14           HB2      ASP  14   3.237  19.469   9.138
  106    HB3  ASP  14           HB3      ASP  14   1.506  19.749   9.250
  107    H    THR  15           H        THR  15   4.101  17.843   6.717
  108    HA   THR  15           HA       THR  15   5.485  15.566   8.000
  109    HB   THR  15           HB       THR  15   5.832  14.523   5.712
  110    HG1  THR  15           HG1      THR  15   5.073  16.286   4.485
  111   HG21  THR  15          HG21      THR  15   2.931  14.491   6.637
  112   HG22  THR  15          HG22      THR  15   4.244  13.540   7.366
  113   HG23  THR  15          HG23      THR  15   3.779  13.259   5.680
  114    H    GLY  16           H        GLY  16   7.680  15.354   7.352
  115    HA2  GLY  16           HA2      GLY  16   8.996  17.892   6.611
  116    HA3  GLY  16           HA3      GLY  16   9.780  16.397   7.158
  117    H    ASP  17           H        ASP  17  10.366  18.191   4.879
  118    HA   ASP  17           HA       ASP  17   9.859  16.584   2.461
  119    HB2  ASP  17           HB2      ASP  17   9.767  19.032   2.368
  120    HB3  ASP  17           HB3      ASP  17  11.439  19.141   2.923
  121    H    ASP  18           H        ASP  18  11.152  15.032   1.729
  122    HA   ASP  18           HA       ASP  18  14.014  14.933   1.924
  123    HB2  ASP  18           HB2      ASP  18  13.276  14.297   4.301
  124    HB3  ASP  18           HB3      ASP  18  12.487  12.893   3.596
  125    H    GLU  19           H        GLU  19  14.830  12.789   1.051
  126    HA   GLU  19           HA       GLU  19  13.066  10.970  -0.282
  127    HB2  GLU  19           HB2      GLU  19  13.760  11.345  -2.601
  128    HB3  GLU  19           HB3      GLU  19  12.763  12.638  -1.957
  129    HG2  GLU  19           HG2      GLU  19  14.808  14.040  -1.619
  130    HG3  GLU  19           HG3      GLU  19  15.788  12.749  -2.321
  131    H    THR  20           H        THR  20  14.012   9.036  -0.455
  132    HA   THR  20           HA       THR  20  16.955   8.785  -0.035
  133    HB   THR  20           HB       THR  20  14.714   6.731   0.134
  134    HG1  THR  20           HG1      THR  20  14.592   7.973   1.894
  135   HG21  THR  20          HG21      THR  20  16.470   5.321   1.230
  136   HG22  THR  20          HG22      THR  20  17.701   6.519   0.763
  137   HG23  THR  20          HG23      THR  20  16.806   5.609  -0.478
  138    H    ALA  21           H        ALA  21  18.205   8.539  -1.760
  139    HA   ALA  21           HA       ALA  21  17.136   7.964  -4.401
  140    HB1  ALA  21           HB1      ALA  21  18.949   9.597  -3.977
  141    HB2  ALA  21           HB2      ALA  21  20.005   8.284  -3.401
  142    HB3  ALA  21           HB3      ALA  21  19.474   8.324  -5.094
  143    H    THR  22           H        THR  22  18.643   5.990  -1.934
  144    HA   THR  22           HA       THR  22  19.523   3.828  -3.644
  145    HB   THR  22           HB       THR  22  19.051   3.817  -0.637
  146    HG1  THR  22           HG1      THR  22  21.235   4.463  -0.563
  147   HG21  THR  22          HG21      THR  22  19.487   1.567  -1.551
  148   HG22  THR  22          HG22      THR  22  20.899   2.139  -0.660
  149   HG23  THR  22          HG23      THR  22  20.902   2.176  -2.439
  150    H    SER  23           H        SER  23  18.462   2.020  -4.280
  151    HA   SER  23           HA       SER  23  15.610   1.787  -3.987
  152    HB2  SER  23           HB2      SER  23  17.623  -0.252  -5.002
  153    HB3  SER  23           HB3      SER  23  15.871  -0.290  -5.252
  154    HG   SER  23           HG       SER  23  17.003   0.604  -7.064
  155    H    ASN  24           H        ASN  24  14.348   0.174  -2.987
  156    HA   ASN  24           HA       ASN  24  15.494  -1.806  -1.192
  157    HB2  ASN  24           HB2      ASN  24  14.567  -0.967   0.865
  158    HB3  ASN  24           HB3      ASN  24  15.613   0.272   0.194
  159   HD21  ASN  24          HD21      ASN  24  12.217  -0.614   0.891
  160   HD22  ASN  24          HD22      ASN  24  11.586   0.995   0.634
  161    H    TYR  25           H        TYR  25  13.806  -3.151  -0.136
  162    HA   TYR  25           HA       TYR  25  11.547  -3.653  -1.908
  163    HB2  TYR  25           HB2      TYR  25  12.436  -4.905   0.707
  164    HB3  TYR  25           HB3      TYR  25  10.989  -5.399  -0.162
  165    HD1  TYR  25           HD2      TYR  25  11.285  -6.024  -2.704
  166    HD2  TYR  25           HD1      TYR  25  14.458  -6.039   0.218
  167    HE1  TYR  25           HE2      TYR  25  12.603  -7.580  -4.136
  168    HE2  TYR  25           HE1      TYR  25  15.765  -7.604  -1.200
  169    HH   TYR  25           HH       TYR  25  15.831  -8.807  -3.163
  170    H    ILE  26           H        ILE  26   9.445  -3.370  -1.586
  171    HA   ILE  26           HA       ILE  26   8.424  -1.719   0.711
  172    HB   ILE  26           HB       ILE  26   7.143  -2.416  -1.969
  173   HG12  ILE  26          HG12      ILE  26   8.482   0.163  -1.048
  174   HG13  ILE  26          HG13      ILE  26   9.079  -0.928  -2.291
  175   HG21  ILE  26          HG21      ILE  26   6.236  -0.468   0.200
  176   HG22  ILE  26          HG22      ILE  26   5.404  -0.787  -1.337
  177   HG23  ILE  26          HG23      ILE  26   5.501  -2.052  -0.127
  178   HD11  ILE  26          HD11      ILE  26   8.086   0.914  -3.408
  179   HD12  ILE  26          HD12      ILE  26   7.047  -0.504  -3.651
  180   HD13  ILE  26          HD13      ILE  26   6.580   0.768  -2.491
  181    H    HIS  27           H        HIS  27   7.075  -2.723   2.170
  182    HA   HIS  27           HA       HIS  27   6.555  -5.648   1.738
  183    HB2  HIS  27           HB2      HIS  27   7.175  -4.179   4.315
  184    HB3  HIS  27           HB3      HIS  27   6.884  -5.903   4.142
  185    HD2  HIS  27           HD2      HIS  27   9.557  -3.226   3.741
  186    HE1  HIS  27           HE1      HIS  27  11.438  -6.901   2.711
  187    HE2  HIS  27           HE2      HIS  27  11.829  -4.429   3.199
  188    H    ILE  28           H        ILE  28   4.455  -6.091   1.522
  189    HA   ILE  28           HA       ILE  28   2.430  -4.434   3.018
  190    HB   ILE  28           HB       ILE  28   1.836  -6.177   0.608
  191   HG12  ILE  28          HG12      ILE  28   2.293  -3.152   0.619
  192   HG13  ILE  28          HG13      ILE  28   3.441  -4.324  -0.030
  193   HG21  ILE  28          HG21      ILE  28   0.320  -3.916   2.032
  194   HG22  ILE  28          HG22      ILE  28  -0.269  -4.786   0.613
  195   HG23  ILE  28          HG23      ILE  28  -0.064  -5.639   2.135
  196   HD11  ILE  28          HD11      ILE  28   0.667  -3.818  -1.127
  197   HD12  ILE  28          HD12      ILE  28   2.220  -3.394  -1.857
  198   HD13  ILE  28          HD13      ILE  28   1.770  -5.102  -1.670
  199    H    ARG  29           H        ARG  29   1.912  -5.304   4.816
  200    HA   ARG  29           HA       ARG  29   2.033  -8.254   5.306
  201    HB2  ARG  29           HB2      ARG  29   2.489  -5.943   7.240
  202    HB3  ARG  29           HB3      ARG  29   2.763  -7.657   7.555
  203    HG2  ARG  29           HG2      ARG  29   4.624  -7.618   5.884
  204    HG3  ARG  29           HG3      ARG  29   4.359  -5.882   5.648
  205    HD2  ARG  29           HD2      ARG  29   4.809  -5.482   8.045
  206    HD3  ARG  29           HD3      ARG  29   5.091  -7.205   8.297
  207    HE   ARG  29           HE       ARG  29   6.897  -5.251   7.072
  208   HH11  ARG  29          HH11      ARG  29   6.315  -8.742   7.312
  209   HH12  ARG  29          HH12      ARG  29   7.932  -9.111   6.799
  210   HH21  ARG  29          HH21      ARG  29   8.873  -5.762   6.490
  211   HH22  ARG  29          HH22      ARG  29   9.402  -7.426   6.342
  212    H    ILE  30           H        ILE  30   0.738  -8.764   7.450
  213    HA   ILE  30           HA       ILE  30  -1.791  -7.158   7.597
  214    HB   ILE  30           HB       ILE  30  -1.403 -10.145   7.849
  215   HG12  ILE  30          HG12      ILE  30  -3.447  -8.453   6.330
  216   HG13  ILE  30          HG13      ILE  30  -1.938  -9.016   5.629
  217   HG21  ILE  30          HG21      ILE  30  -3.791  -8.551   8.841
  218   HG22  ILE  30          HG22      ILE  30  -3.743 -10.311   8.666
  219   HG23  ILE  30          HG23      ILE  30  -2.695  -9.540   9.832
  220   HD11  ILE  30          HD11      ILE  30  -3.733 -10.474   4.936
  221   HD12  ILE  30          HD12      ILE  30  -2.630 -11.380   5.998
  222   HD13  ILE  30          HD13      ILE  30  -4.210 -10.795   6.593
  223    H    GLN  31           H        GLN  31  -2.596  -6.673   9.560
  224    HA   GLN  31           HA       GLN  31  -1.009  -7.245  12.012
  225    HB2  GLN  31           HB2      GLN  31  -0.442  -4.977  11.364
  226    HB3  GLN  31           HB3      GLN  31  -2.128  -4.569  11.071
  227    HG2  GLN  31           HG2      GLN  31  -1.309  -3.578  13.164
  228    HG3  GLN  31           HG3      GLN  31  -2.645  -4.678  13.447
  229   HE21  GLN  31          HE21      GLN  31  -2.306  -5.792  15.385
  230   HE22  GLN  31          HE22      GLN  31  -0.722  -6.368  15.905
  231    H    GLN  32           H        GLN  32  -2.299  -7.650  13.824
  232    HA   GLN  32           HA       GLN  32  -5.160  -8.230  13.265
  233    HB2  GLN  32           HB2      GLN  32  -3.384  -9.053  15.611
  234    HB3  GLN  32           HB3      GLN  32  -5.044  -9.557  15.315
  235    HG2  GLN  32           HG2      GLN  32  -3.854 -11.386  14.553
  236    HG3  GLN  32           HG3      GLN  32  -4.199 -10.517  13.065
  237   HE21  GLN  32          HE21      GLN  32  -2.368 -10.128  11.723
  238   HE22  GLN  32          HE22      GLN  32  -0.715 -10.386  12.272
  239    H    ARG  33           H        ARG  33  -6.808  -7.599  14.658
  240    HA   ARG  33           HA       ARG  33  -6.302  -5.622  16.804
  241    HB2  ARG  33           HB2      ARG  33  -8.234  -5.268  14.476
  242    HB3  ARG  33           HB3      ARG  33  -8.317  -4.314  15.950
  243    HG2  ARG  33           HG2      ARG  33  -6.014  -4.357  13.960
  244    HG3  ARG  33           HG3      ARG  33  -7.234  -3.104  14.124
  245    HD2  ARG  33           HD2      ARG  33  -5.135  -3.829  16.212
  246    HD3  ARG  33           HD3      ARG  33  -5.086  -2.440  15.145
  247    HE   ARG  33           HE       ARG  33  -6.618  -2.747  17.597
  248   HH11  ARG  33          HH11      ARG  33  -6.492  -0.858  14.605
  249   HH12  ARG  33          HH12      ARG  33  -7.423   0.442  15.288
  250   HH21  ARG  33          HH21      ARG  33  -7.821  -1.046  18.399
  251   HH22  ARG  33          HH22      ARG  33  -8.158   0.333  17.403
  252    H    ASN  34           H        ASN  34  -8.338  -5.323  18.123
  253    HA   ASN  34           HA       ASN  34  -9.113  -7.798  19.207
  254    HB2  ASN  34           HB2      ASN  34 -10.410  -5.058  19.475
  255    HB3  ASN  34           HB3      ASN  34 -10.812  -6.447  20.482
  256   HD21  ASN  34          HD21      ASN  34  -9.940  -4.093  21.671
  257   HD22  ASN  34          HD22      ASN  34  -8.346  -4.369  22.351
  258    H    GLY  35           H        GLY  35 -10.926  -9.078  19.177
  259    HA2  GLY  35           HA2      GLY  35 -12.897 -10.053  18.388
  260    HA3  GLY  35           HA3      GLY  35 -13.296  -8.532  17.569
  261    H    ARG  36           H        ARG  36 -13.855  -9.291  15.601
  262    HA   ARG  36           HA       ARG  36 -12.209 -11.200  14.087
  263    HB2  ARG  36           HB2      ARG  36 -14.749  -9.675  13.371
  264    HB3  ARG  36           HB3      ARG  36 -13.981 -10.904  12.359
  265    HG2  ARG  36           HG2      ARG  36 -14.286 -12.593  14.158
  266    HG3  ARG  36           HG3      ARG  36 -15.130 -11.380  15.143
  267    HD2  ARG  36           HD2      ARG  36 -16.834 -11.120  13.368
  268    HD3  ARG  36           HD3      ARG  36 -15.998 -12.340  12.385
  269    HE   ARG  36           HE       ARG  36 -16.525 -13.471  14.928
  270   HH11  ARG  36          HH11      ARG  36 -18.395 -12.436  12.110
  271   HH12  ARG  36          HH12      ARG  36 -19.678 -13.564  12.431
  272   HH21  ARG  36          HH22      ARG  36 -18.213 -14.904  15.286
  273   HH22  ARG  36          HH21      ARG  36 -19.574 -14.942  14.205
  274    H    LYS  37           H        LYS  37 -11.728  -7.968  14.632
  275    HA   LYS  37           HA       LYS  37 -11.529  -6.895  11.976
  276    HB2  LYS  37           HB2      LYS  37 -10.447  -5.927  14.647
  277    HB3  LYS  37           HB3      LYS  37 -10.431  -4.978  13.152
  278    HG2  LYS  37           HG2      LYS  37 -12.902  -5.073  13.044
  279    HG3  LYS  37           HG3      LYS  37 -12.942  -6.033  14.537
  280    HD2  LYS  37           HD2      LYS  37 -11.850  -4.177  15.769
  281    HD3  LYS  37           HD3      LYS  37 -11.837  -3.202  14.281
  282    HE2  LYS  37           HE2      LYS  37 -14.320  -3.355  14.167
  283    HE3  LYS  37           HE3      LYS  37 -14.332  -4.328  15.643
  284    HZ1  LYS  37           HZ1      LYS  37 -14.790  -1.999  16.118
  285    HZ2  LYS  37           HZ2      LYS  37 -13.373  -1.524  15.465
  286    HZ3  LYS  37           HZ3      LYS  37 -13.384  -2.427  16.830
  287    H    THR  38           H        THR  38  -9.969  -6.830  10.536
  288    HA   THR  38           HA       THR  38  -7.142  -7.586  11.185
  289    HB   THR  38           HB       THR  38  -8.742  -8.412   8.723
  290    HG1  THR  38           HG1      THR  38  -8.638 -10.453   9.668
  291   HG21  THR  38          HG21      THR  38  -6.331  -8.183   8.217
  292   HG22  THR  38          HG22      THR  38  -6.775  -9.890   8.290
  293   HG23  THR  38          HG23      THR  38  -5.931  -9.144   9.665
  294    H    LEU  39           H        LEU  39  -5.596  -6.348  10.202
  295    HA   LEU  39           HA       LEU  39  -6.459  -4.194   8.303
  296    HB2  LEU  39           HB2      LEU  39  -4.319  -4.082  10.470
  297    HB3  LEU  39           HB3      LEU  39  -4.686  -2.794   9.329
  298    HG   LEU  39           HG       LEU  39  -6.538  -3.804  11.534
  299   HD11  LEU  39          HD11      LEU  39  -4.569  -2.584  12.376
  300   HD12  LEU  39          HD12      LEU  39  -6.037  -1.608  12.570
  301   HD13  LEU  39          HD13      LEU  39  -4.906  -1.246  11.255
  302   HD21  LEU  39          HD21      LEU  39  -7.882  -1.760  10.988
  303   HD22  LEU  39          HD22      LEU  39  -7.890  -2.958   9.697
  304   HD23  LEU  39          HD23      LEU  39  -6.870  -1.507   9.548
  305    H    THR  40           H        THR  40  -5.068  -3.696   6.667
  306    HA   THR  40           HA       THR  40  -2.726  -5.480   6.116
  307    HB   THR  40           HB       THR  40  -4.322  -3.581   4.346
  308    HG1  THR  40           HG1      THR  40  -5.157  -5.643   4.923
  309   HG21  THR  40          HG21      THR  40  -1.952  -3.540   3.602
  310   HG22  THR  40          HG22      THR  40  -2.935  -4.500   2.489
  311   HG23  THR  40          HG23      THR  40  -1.896  -5.318   3.675
  312    H    THR  41           H        THR  41  -0.716  -4.657   6.396
  313    HA   THR  41           HA       THR  41  -0.413  -1.758   7.056
  314    HB   THR  41           HB       THR  41   1.700  -2.745   8.294
  315    HG1  THR  41           HG1      THR  41   1.200  -4.746   9.212
  316   HG21  THR  41          HG21      THR  41  -1.154  -2.944   9.354
  317   HG22  THR  41          HG22      THR  41  -0.147  -1.477   9.300
  318   HG23  THR  41          HG23      THR  41   0.328  -2.829  10.339
  319    H    VAL  42           H        VAL  42   0.690  -0.597   5.753
  320    HA   VAL  42           HA       VAL  42   2.496  -1.884   3.734
  321    HB   VAL  42           HB       VAL  42   1.459   0.963   3.730
  322   HG11  VAL  42          HG11      VAL  42   3.504   0.633   2.381
  323   HG12  VAL  42          HG12      VAL  42   2.749  -0.744   1.553
  324   HG13  VAL  42          HG13      VAL  42   2.105   0.901   1.341
  325   HG21  VAL  42          HG21      VAL  42  -0.143   0.229   2.004
  326   HG22  VAL  42          HG22      VAL  42   0.355  -1.465   2.270
  327   HG23  VAL  42          HG23      VAL  42  -0.474  -0.551   3.550
  328    H    GLN  43           H        GLN  43   4.581  -1.751   3.980
  329    HA   GLN  43           HA       GLN  43   5.893   0.378   5.638
  330    HB2  GLN  43           HB2      GLN  43   5.663  -1.709   6.904
  331    HB3  GLN  43           HB3      GLN  43   6.255  -2.643   5.548
  332    HG2  GLN  43           HG2      GLN  43   8.511  -1.515   5.815
  333    HG3  GLN  43           HG3      GLN  43   7.875  -0.721   7.263
  334   HE21  GLN  43          HE21      GLN  43   8.099  -1.916   9.207
  335   HE22  GLN  43          HE22      GLN  43   8.530  -3.629   9.219
  336    H    GLY  44           H        GLY  44   8.017   0.973   4.929
  337    HA2  GLY  44           HA2      GLY  44   9.914   1.017   3.635
  338    HA3  GLY  44           HA3      GLY  44   9.378  -0.481   2.845
  339    H    VAL  45           H        VAL  45   6.865   1.469   2.219
  340    HA   VAL  45           HA       VAL  45   7.486   2.017  -0.469
  341    HB   VAL  45           HB       VAL  45   5.217   1.949   0.336
  342   HG11  VAL  45          HG11      VAL  45   4.094   3.795   1.414
  343   HG12  VAL  45          HG12      VAL  45   5.436   3.273   2.443
  344   HG13  VAL  45          HG13      VAL  45   5.583   4.751   1.460
  345   HG21  VAL  45          HG21      VAL  45   4.305   3.718  -1.087
  346   HG22  VAL  45          HG22      VAL  45   5.854   4.580  -1.061
  347   HG23  VAL  45          HG23      VAL  45   5.729   2.989  -1.844
  348    HA   PRO  46           HA       PRO  46  10.492   5.321  -0.175
  349    HB2  PRO  46           HB2      PRO  46   9.306   6.027  -2.864
  350    HB3  PRO  46           HB3      PRO  46  11.010   6.003  -2.390
  351    HG2  PRO  46           HG2      PRO  46   9.986   3.913  -3.757
  352    HG3  PRO  46           HG3      PRO  46  11.032   3.595  -2.335
  353    HD2  PRO  46           HD2      PRO  46   8.008   3.520  -2.492
  354    HD3  PRO  46           HD3      PRO  46   9.147   2.403  -1.679
  355    H    GLU  47           H        GLU  47  10.558   7.523   0.372
  356    HA   GLU  47           HA       GLU  47   7.992   8.534   1.301
  357    HB2  GLU  47           HB2      GLU  47   9.227  10.165   2.519
  358    HB3  GLU  47           HB3      GLU  47   9.965   8.591   2.751
  359    HG2  GLU  47           HG2      GLU  47  11.026  10.671   0.793
  360    HG3  GLU  47           HG3      GLU  47  11.533  10.572   2.475
  361    H    GLU  48           H        GLU  48   9.744   9.004  -1.580
  362    HA   GLU  48           HA       GLU  48   8.776  11.646  -2.266
  363    HB2  GLU  48           HB2      GLU  48   9.406  11.119  -4.522
  364    HB3  GLU  48           HB3      GLU  48  10.680  10.604  -3.420
  365    HG2  GLU  48           HG2      GLU  48   9.907   8.252  -3.614
  366    HG3  GLU  48           HG3      GLU  48   8.614   8.757  -4.709
  367    H    TYR  49           H        TYR  49   7.250   8.503  -2.103
  368    HA   TYR  49           HA       TYR  49   4.822   9.423  -3.543
  369    HB2  TYR  49           HB2      TYR  49   5.437   6.755  -2.232
  370    HB3  TYR  49           HB3      TYR  49   4.038   7.155  -3.210
  371    HD1  TYR  49           HD2      TYR  49   4.616   8.093  -5.666
  372    HD2  TYR  49           HD1      TYR  49   7.243   5.666  -3.259
  373    HE1  TYR  49           HE2      TYR  49   5.797   7.340  -7.722
  374    HE2  TYR  49           HE1      TYR  49   8.433   4.920  -5.313
  375    HH   TYR  49           HH       TYR  49   7.439   5.984  -8.590
  376    H    ASP  50           H        ASP  50   3.755  10.848  -2.303
  377    HA   ASP  50           HA       ASP  50   4.001  11.084   0.493
  378    HB2  ASP  50           HB2      ASP  50   3.446  12.930  -1.005
  379    HB3  ASP  50           HB3      ASP  50   1.886  12.196  -1.385
  380    H    LEU  51           H        LEU  51   3.122  10.106   2.169
  381    HA   LEU  51           HA       LEU  51   1.492   7.821   1.883
  382    HB2  LEU  51           HB2      LEU  51   1.961   9.518   4.369
  383    HB3  LEU  51           HB3      LEU  51   1.416   7.840   4.355
  384    HG   LEU  51           HG       LEU  51   4.160   8.892   3.549
  385   HD11  LEU  51          HD11      LEU  51   3.231   7.114   5.845
  386   HD12  LEU  51          HD12      LEU  51   3.685   8.827   5.969
  387   HD13  LEU  51          HD13      LEU  51   4.905   7.620   5.524
  388   HD21  LEU  51          HD21      LEU  51   4.867   6.553   3.284
  389   HD22  LEU  51          HD22      LEU  51   3.620   6.954   2.103
  390   HD23  LEU  51          HD23      LEU  51   3.207   5.993   3.546
  391    H    LYS  52           H        LYS  52   0.526  11.121   2.813
  392    HA   LYS  52           HA       LYS  52  -2.233  10.498   3.353
  393    HB2  LYS  52           HB2      LYS  52  -1.218  13.180   2.372
  394    HB3  LYS  52           HB3      LYS  52  -2.643  12.814   3.307
  395    HG2  LYS  52           HG2      LYS  52  -1.427  13.513   5.066
  396    HG3  LYS  52           HG3      LYS  52  -0.827  11.868   5.068
  397    HD2  LYS  52           HD2      LYS  52   1.041  13.379   5.298
  398    HD3  LYS  52           HD3      LYS  52   1.150  12.663   3.687
  399    HE2  LYS  52           HE2      LYS  52   0.016  14.721   2.757
  400    HE3  LYS  52           HE3      LYS  52   0.042  15.425   4.379
  401    HZ1  LYS  52           HZ1      LYS  52   2.501  15.278   4.281
  402    HZ2  LYS  52           HZ2      LYS  52   1.906  16.185   3.064
  403    HZ3  LYS  52           HZ3      LYS  52   2.399  14.655   2.764
  404    H    ARG  53           H        ARG  53  -0.538  11.486   0.349
  405    HA   ARG  53           HA       ARG  53  -2.851  11.478  -1.334
  406    HB2  ARG  53           HB2      ARG  53  -0.580  12.464  -1.853
  407    HB3  ARG  53           HB3      ARG  53   0.014  10.831  -2.134
  408    HG2  ARG  53           HG2      ARG  53  -0.474  11.855  -4.235
  409    HG3  ARG  53           HG3      ARG  53  -1.640  10.553  -3.981
  410    HD2  ARG  53           HD2      ARG  53  -3.406  12.135  -3.469
  411    HD3  ARG  53           HD3      ARG  53  -2.248  13.456  -3.299
  412    HE   ARG  53           HE       ARG  53  -2.243  13.796  -5.552
  413   HH11  ARG  53          HH11      ARG  53  -3.681  10.599  -5.085
  414   HH12  ARG  53          HH12      ARG  53  -4.133  10.468  -6.761
  415   HH21  ARG  53          HH21      ARG  53  -2.852  13.561  -7.679
  416   HH22  ARG  53          HH22      ARG  53  -3.671  12.122  -8.205
  417    H    ILE  54           H        ILE  54  -0.658   8.799  -0.377
  418    HA   ILE  54           HA       ILE  54  -1.894   6.706  -1.941
  419    HB   ILE  54           HB       ILE  54  -0.508   6.559   0.758
  420   HG12  ILE  54          HG12      ILE  54   0.462   5.862  -2.042
  421   HG13  ILE  54          HG13      ILE  54   0.864   7.342  -1.213
  422   HG21  ILE  54          HG21      ILE  54  -1.492   4.357  -1.098
  423   HG22  ILE  54          HG22      ILE  54  -0.363   4.095   0.248
  424   HG23  ILE  54          HG23      ILE  54  -1.988   4.662   0.581
  425   HD11  ILE  54          HD11      ILE  54   1.719   4.547  -0.402
  426   HD12  ILE  54          HD12      ILE  54   2.724   5.877  -0.989
  427   HD13  ILE  54          HD13      ILE  54   1.960   5.988   0.607
  428    H    LEU  55           H        LEU  55  -2.777   7.919   1.385
  429    HA   LEU  55           HA       LEU  55  -5.095   6.324   1.640
  430    HB2  LEU  55           HB2      LEU  55  -4.945   9.181   2.663
  431    HB3  LEU  55           HB3      LEU  55  -5.886   7.840   3.261
  432    HG   LEU  55           HG       LEU  55  -2.955   8.393   3.646
  433   HD11  LEU  55          HD11      LEU  55  -4.578   9.404   5.188
  434   HD12  LEU  55          HD12      LEU  55  -3.571   8.210   6.016
  435   HD13  LEU  55          HD13      LEU  55  -5.236   7.797   5.567
  436   HD21  LEU  55          HD21      LEU  55  -4.320   5.737   4.242
  437   HD22  LEU  55          HD22      LEU  55  -2.721   6.257   4.838
  438   HD23  LEU  55          HD23      LEU  55  -2.962   6.026   3.110
  439    H    LYS  56           H        LYS  56  -4.801   9.551   0.025
  440    HA   LYS  56           HA       LYS  56  -7.567   9.861  -0.562
  441    HB2  LYS  56           HB2      LYS  56  -5.118  10.851  -2.074
  442    HB3  LYS  56           HB3      LYS  56  -6.780  11.287  -2.474
  443    HG2  LYS  56           HG2      LYS  56  -7.092  12.177  -0.158
  444    HG3  LYS  56           HG3      LYS  56  -5.372  11.870   0.160
  445    HD2  LYS  56           HD2      LYS  56  -4.764  13.363  -1.719
  446    HD3  LYS  56           HD3      LYS  56  -6.491  13.668  -2.024
  447    HE2  LYS  56           HE2      LYS  56  -6.702  14.560   0.315
  448    HE3  LYS  56           HE3      LYS  56  -4.967  14.320   0.544
  449    HZ1  LYS  56           HZ1      LYS  56  -6.184  16.129  -1.473
  450    HZ2  LYS  56           HZ2      LYS  56  -4.575  15.913  -1.258
  451    HZ3  LYS  56           HZ3      LYS  56  -5.475  16.606  -0.083
  452    H    VAL  57           H        VAL  57  -5.076   8.101  -2.446
  453    HA   VAL  57           HA       VAL  57  -6.943   7.444  -4.588
  454    HB   VAL  57           HB       VAL  57  -4.333   6.037  -3.887
  455   HG11  VAL  57          HG11      VAL  57  -5.644   4.565  -5.309
  456   HG12  VAL  57          HG12      VAL  57  -6.147   5.923  -6.346
  457   HG13  VAL  57          HG13      VAL  57  -4.471   5.364  -6.355
  458   HG21  VAL  57          HG21      VAL  57  -3.387   7.414  -5.712
  459   HG22  VAL  57          HG22      VAL  57  -4.954   8.234  -5.911
  460   HG23  VAL  57          HG23      VAL  57  -4.016   8.433  -4.416
  461    H    LEU  58           H        LEU  58  -5.777   5.575  -1.722
  462    HA   LEU  58           HA       LEU  58  -7.261   3.211  -2.448
  463    HB2  LEU  58           HB2      LEU  58  -6.040   4.063   0.202
  464    HB3  LEU  58           HB3      LEU  58  -6.617   2.440  -0.183
  465    HG   LEU  58           HG       LEU  58  -4.310   3.858  -1.604
  466   HD11  LEU  58          HD11      LEU  58  -2.871   2.285  -0.434
  467   HD12  LEU  58          HD12      LEU  58  -4.272   1.539   0.347
  468   HD13  LEU  58          HD13      LEU  58  -3.827   3.205   0.747
  469   HD21  LEU  58          HD21      LEU  58  -5.312   2.356  -3.181
  470   HD22  LEU  58          HD22      LEU  58  -5.432   1.055  -1.965
  471   HD23  LEU  58          HD23      LEU  58  -3.848   1.594  -2.565
  472    H    LYS  59           H        LYS  59  -8.188   5.989  -0.404
  473    HA   LYS  59           HA       LYS  59 -10.719   4.738   0.372
  474    HB2  LYS  59           HB2      LYS  59  -9.754   7.626   0.478
  475    HB3  LYS  59           HB3      LYS  59 -11.296   7.042   1.126
  476    HG2  LYS  59           HG2      LYS  59 -10.025   5.393   2.543
  477    HG3  LYS  59           HG3      LYS  59  -8.522   6.150   2.027
  478    HD2  LYS  59           HD2      LYS  59  -9.381   8.360   2.942
  479    HD3  LYS  59           HD3      LYS  59 -10.783   7.469   3.587
  480    HE2  LYS  59           HE2      LYS  59  -9.092   5.911   4.710
  481    HE3  LYS  59           HE3      LYS  59  -7.832   7.061   4.267
  482    HZ1  LYS  59           HZ1      LYS  59  -8.644   7.407   6.517
  483    HZ2  LYS  59           HZ2      LYS  59 -10.178   7.668   6.003
  484    HZ3  LYS  59           HZ3      LYS  59  -8.998   8.736   5.632
  485    H    LYS  60           H        LYS  60  -9.694   6.690  -2.398
  486    HA   LYS  60           HA       LYS  60 -12.441   7.178  -3.302
  487    HB2  LYS  60           HB2      LYS  60 -10.650   8.817  -3.604
  488    HB3  LYS  60           HB3      LYS  60  -9.734   7.681  -4.606
  489    HG2  LYS  60           HG2      LYS  60 -11.473   7.728  -6.328
  490    HG3  LYS  60           HG3      LYS  60 -12.537   8.677  -5.278
  491    HD2  LYS  60           HD2      LYS  60 -11.554  10.112  -6.956
  492    HD3  LYS  60           HD3      LYS  60 -10.942  10.569  -5.360
  493    HE2  LYS  60           HE2      LYS  60  -8.834   9.350  -5.797
  494    HE3  LYS  60           HE3      LYS  60  -9.461   8.787  -7.353
  495    HZ1  LYS  60           HZ1      LYS  60  -8.971  11.631  -6.646
  496    HZ2  LYS  60           HZ2      LYS  60  -9.552  11.106  -8.081
  497    HZ3  LYS  60           HZ3      LYS  60  -8.032  10.724  -7.631
  498    H    ASP  61           H        ASP  61  -9.712   5.371  -4.808
  499    HA   ASP  61           HA       ASP  61 -11.474   4.346  -6.880
  500    HB2  ASP  61           HB2      ASP  61  -9.094   5.102  -7.190
  501    HB3  ASP  61           HB3      ASP  61  -8.564   3.675  -6.304
  502    H    PHE  62           H        PHE  62  -9.804   2.873  -4.083
  503    HA   PHE  62           HA       PHE  62 -10.927   0.200  -4.682
  504    HB2  PHE  62           HB2      PHE  62  -8.993   1.190  -2.548
  505    HB3  PHE  62           HB3      PHE  62  -9.522  -0.464  -2.728
  506    HD1  PHE  62           HD2      PHE  62  -7.625   2.266  -4.445
  507    HD2  PHE  62           HD1      PHE  62  -8.529  -1.946  -4.283
  508    HE1  PHE  62           HE2      PHE  62  -5.731   1.806  -5.957
  509    HE2  PHE  62           HE1      PHE  62  -6.613  -2.407  -5.792
  510    HZ   PHE  62           HZ       PHE  62  -5.205  -0.546  -6.625
  511    H    ALA  63           H        ALA  63 -11.986   2.921  -3.022
  512    HA   ALA  63           HA       ALA  63 -13.545   3.386  -1.440
  513    HB1  ALA  63           HB1      ALA  63 -14.909   2.147  -3.106
  514    HB2  ALA  63           HB2      ALA  63 -14.670   0.652  -2.173
  515    HB3  ALA  63           HB3      ALA  63 -15.550   2.015  -1.459
  516    H    CYS  64           H        CYS  64 -11.079   2.185  -0.431
  517    HA   CYS  64           HA       CYS  64 -11.857   0.434   1.830
  518    HB2  CYS  64           HB2      CYS  64  -9.205   1.469   0.715
  519    HB3  CYS  64           HB3      CYS  64  -9.321   0.490   2.185
  520    HG   CYS  64           HG       CYS  64 -10.697  -0.346  -0.714
  521    H    ASN  65           H        ASN  65 -10.333   1.109   3.868
  522    HA   ASN  65           HA       ASN  65 -10.483   4.000   4.414
  523    HB2  ASN  65           HB2      ASN  65 -12.593   3.094   5.369
  524    HB3  ASN  65           HB3      ASN  65 -11.653   1.930   6.308
  525   HD21  ASN  65          HD21      ASN  65 -12.114   2.708   8.402
  526   HD22  ASN  65          HD22      ASN  65 -11.683   4.332   8.931
  527    H    GLY  66           H        GLY  66  -8.899   4.675   5.943
  528    HA2  GLY  66           HA2      GLY  66  -6.895   2.872   6.990
  529    HA3  GLY  66           HA3      GLY  66  -6.403   3.536   5.451
  530    H    ASN  67           H        ASN  67  -4.824   3.953   7.399
  531    HA   ASN  67           HA       ASN  67  -4.792   6.802   8.028
  532    HB2  ASN  67           HB2      ASN  67  -4.830   6.452  10.499
  533    HB3  ASN  67           HB3      ASN  67  -6.362   6.082   9.722
  534   HD21  ASN  67          HD21      ASN  67  -3.683   4.733  11.567
  535   HD22  ASN  67          HD22      ASN  67  -4.353   3.112  11.684
  536    H    ILE  68           H        ILE  68  -2.822   7.449   9.221
  537    HA   ILE  68           HA       ILE  68  -0.488   5.670   8.573
  538    HB   ILE  68           HB       ILE  68  -0.670   8.666   9.056
  539   HG12  ILE  68          HG12      ILE  68   0.204   7.247   6.505
  540   HG13  ILE  68          HG13      ILE  68  -1.485   7.627   6.792
  541   HG21  ILE  68          HG21      ILE  68   1.753   8.703   8.395
  542   HG22  ILE  68          HG22      ILE  68   1.492   7.845   9.904
  543   HG23  ILE  68          HG23      ILE  68   1.766   6.929   8.404
  544   HD11  ILE  68          HD11      ILE  68  -0.930  10.036   7.030
  545   HD12  ILE  68          HD12      ILE  68   0.758   9.665   6.605
  546   HD13  ILE  68          HD13      ILE  68  -0.542   9.362   5.437
  547    H    VAL  69           H        VAL  69   0.855   4.928  10.160
  548    HA   VAL  69           HA       VAL  69   0.551   5.892  12.979
  549    HB   VAL  69           HB       VAL  69   0.367   2.967  12.101
  550   HG11  VAL  69          HG11      VAL  69   1.591   3.041  14.205
  551   HG12  VAL  69          HG12      VAL  69   0.401   4.164  14.907
  552   HG13  VAL  69          HG13      VAL  69  -0.044   2.486  14.527
  553   HG21  VAL  69          HG21      VAL  69  -1.709   4.794  13.379
  554   HG22  VAL  69          HG22      VAL  69  -1.766   4.043  11.762
  555   HG23  VAL  69          HG23      VAL  69  -1.881   3.038  13.206
  556    H    LYS  70           H        LYS  70   2.448   5.751  14.181
  557    HA   LYS  70           HA       LYS  70   4.846   4.531  12.856
  558    HB2  LYS  70           HB2      LYS  70   4.821   7.020  13.521
  559    HB3  LYS  70           HB3      LYS  70   4.916   6.469  15.189
  560    HG2  LYS  70           HG2      LYS  70   6.900   5.872  12.939
  561    HG3  LYS  70           HG3      LYS  70   7.112   7.060  14.224
  562    HD2  LYS  70           HD2      LYS  70   7.077   5.198  15.910
  563    HD3  LYS  70           HD3      LYS  70   7.016   4.035  14.563
  564    HE2  LYS  70           HE2      LYS  70   9.129   4.920  13.664
  565    HE3  LYS  70           HE3      LYS  70   9.223   6.079  14.995
  566    HZ1  LYS  70           HZ1      LYS  70  10.542   4.068  15.424
  567    HZ2  LYS  70           HZ2      LYS  70   9.205   3.124  15.349
  568    HZ3  LYS  70           HZ3      LYS  70   9.367   4.229  16.545
  569    H    ASP  71           H        ASP  71   4.886   2.451  13.413
  570    HA   ASP  71           HA       ASP  71   3.882   1.473  15.978
  571    HB2  ASP  71           HB2      ASP  71   3.462   0.413  13.714
  572    HB3  ASP  71           HB3      ASP  71   5.167   0.008  13.663
  573    HA   PRO  72           HA       PRO  72   7.910   1.227  18.000
  574    HB2  PRO  72           HB2      PRO  72   6.864  -1.373  19.128
  575    HB3  PRO  72           HB3      PRO  72   7.669  -0.016  19.976
  576    HG2  PRO  72           HG2      PRO  72   4.984  -0.320  20.110
  577    HG3  PRO  72           HG3      PRO  72   5.690   1.315  19.871
  578    HD2  PRO  72           HD2      PRO  72   4.491  -0.544  17.813
  579    HD3  PRO  72           HD3      PRO  72   4.261   1.219  18.024
  580    H    GLU  73           H        GLU  73   6.658  -1.654  16.280
  581    HA   GLU  73           HA       GLU  73   9.441  -2.721  15.939
  582    HB2  GLU  73           HB2      GLU  73   6.742  -4.125  15.702
  583    HB3  GLU  73           HB3      GLU  73   8.337  -4.856  15.472
  584    HG2  GLU  73           HG2      GLU  73   8.899  -4.129  17.836
  585    HG3  GLU  73           HG3      GLU  73   7.200  -3.704  18.052
  586    H    MET  74           H        MET  74   6.362  -2.241  14.170
  587    HA   MET  74           HA       MET  74   7.573  -2.830  11.569
  588    HB2  MET  74           HB2      MET  74   4.841  -1.768  12.372
  589    HB3  MET  74           HB3      MET  74   5.327  -2.010  10.704
  590    HG2  MET  74           HG2      MET  74   5.798  -4.427  11.260
  591    HG3  MET  74           HG3      MET  74   5.104  -4.132  12.860
  592    HE1  MET  74           HE1      MET  74   3.306  -6.039  12.601
  593    HE2  MET  74           HE2      MET  74   2.293  -6.258  11.164
  594    HE3  MET  74           HE3      MET  74   4.055  -6.454  11.042
  595    H    GLY  75           H        GLY  75   7.373   0.104  13.430
  596    HA2  GLY  75           HA2      GLY  75   8.357   2.173  12.968
  597    HA3  GLY  75           HA3      GLY  75   8.769   1.607  11.339
  598    H    GLU  76           H        GLU  76   8.117   3.734  10.589
  599    HA   GLU  76           HA       GLU  76   5.415   4.640  10.823
  600    HB2  GLU  76           HB2      GLU  76   7.630   5.941  10.367
  601    HB3  GLU  76           HB3      GLU  76   7.353   5.512   8.669
  602    HG2  GLU  76           HG2      GLU  76   5.077   6.522   8.854
  603    HG3  GLU  76           HG3      GLU  76   5.410   6.912  10.548
  604    H    ILE  77           H        ILE  77   3.694   3.860   9.845
  605    HA   ILE  77           HA       ILE  77   3.808   2.478   7.216
  606    HB   ILE  77           HB       ILE  77   2.461   0.623   8.182
  607   HG12  ILE  77          HG12      ILE  77   3.159   1.817  10.896
  608   HG13  ILE  77          HG13      ILE  77   1.552   1.703  10.176
  609   HG21  ILE  77          HG21      ILE  77   5.152   0.759   9.561
  610   HG22  ILE  77          HG22      ILE  77   4.273  -0.664   8.955
  611   HG23  ILE  77          HG23      ILE  77   4.952   0.498   7.819
  612   HD11  ILE  77          HD11      ILE  77   1.718  -0.045  11.770
  613   HD12  ILE  77          HD12      ILE  77   1.865  -0.824  10.179
  614   HD13  ILE  77          HD13      ILE  77   3.306  -0.551  11.174
  615    H    ILE  78           H        ILE  78   1.863   2.183   6.157
  616    HA   ILE  78           HA       ILE  78  -0.491   3.781   7.105
  617    HB   ILE  78           HB       ILE  78   0.185   2.577   4.402
  618   HG12  ILE  78          HG12      ILE  78  -0.384   5.493   5.032
  619   HG13  ILE  78          HG13      ILE  78   1.246   4.829   5.179
  620   HG21  ILE  78          HG21      ILE  78  -2.389   3.921   5.321
  621   HG22  ILE  78          HG22      ILE  78  -1.980   3.625   3.620
  622   HG23  ILE  78          HG23      ILE  78  -2.201   2.267   4.703
  623   HD11  ILE  78          HD11      ILE  78  -0.410   4.799   2.629
  624   HD12  ILE  78          HD12      ILE  78   0.948   5.859   2.990
  625   HD13  ILE  78          HD13      ILE  78   1.222   4.111   2.836
  626    H    GLN  79           H        GLN  79  -2.263   2.766   7.786
  627    HA   GLN  79           HA       GLN  79  -2.479  -0.214   7.669
  628    HB2  GLN  79           HB2      GLN  79  -3.796   1.885   9.449
  629    HB3  GLN  79           HB3      GLN  79  -4.270   0.184   9.408
  630    HG2  GLN  79           HG2      GLN  79  -2.045  -0.503  10.163
  631    HG3  GLN  79           HG3      GLN  79  -1.479   1.171  10.170
  632   HE21  GLN  79          HE21      GLN  79  -1.253  -0.384  12.495
  633   HE22  GLN  79          HE22      GLN  79  -2.401   0.235  13.669
  634    H    LEU  80           H        LEU  80  -4.175  -1.055   6.498
  635    HA   LEU  80           HA       LEU  80  -6.396   0.715   5.612
  636    HB2  LEU  80           HB2      LEU  80  -4.481  -0.200   3.890
  637    HB3  LEU  80           HB3      LEU  80  -5.505  -1.638   3.947
  638    HG   LEU  80           HG       LEU  80  -7.435  -0.279   3.165
  639   HD11  LEU  80          HD11      LEU  80  -5.339   1.930   2.808
  640   HD12  LEU  80          HD12      LEU  80  -6.720   1.994   3.911
  641   HD13  LEU  80          HD13      LEU  80  -7.001   1.967   2.175
  642   HD21  LEU  80          HD21      LEU  80  -4.895  -0.183   1.475
  643   HD22  LEU  80          HD22      LEU  80  -6.544  -0.026   0.818
  644   HD23  LEU  80          HD23      LEU  80  -6.002  -1.530   1.577
  645    H    GLN  81           H        GLN  81  -8.479  -0.271   5.833
  646    HA   GLN  81           HA       GLN  81  -8.599  -2.540   7.657
  647    HB2  GLN  81           HB2      GLN  81 -10.766  -0.966   6.208
  648    HB3  GLN  81           HB3      GLN  81 -11.092  -2.329   7.278
  649    HG2  GLN  81           HG2      GLN  81  -9.775  -1.096   9.096
  650    HG3  GLN  81           HG3      GLN  81  -9.790   0.319   8.036
  651   HE21  GLN  81          HE21      GLN  81 -12.005  -2.062   9.677
  652   HE22  GLN  81          HE22      GLN  81 -13.311  -0.899   9.841
  653    H    GLY  82           H        GLY  82  -9.053  -4.645   7.353
  654    HA2  GLY  82           HA2      GLY  82  -9.770  -6.591   6.274
  655    HA3  GLY  82           HA3      GLY  82  -9.969  -5.712   4.753
  656    H    ASP  83           H        ASP  83  -8.945  -7.843   4.120
  657    HA   ASP  83           HA       ASP  83  -5.963  -7.777   4.141
  658    HB2  ASP  83           HB2      ASP  83  -6.975  -9.925   4.631
  659    HB3  ASP  83           HB3      ASP  83  -7.928  -9.862   3.147
  660    H    GLN  84           H        GLN  84  -5.421  -6.121   2.824
  661    HA   GLN  84           HA       GLN  84  -6.453  -6.047   0.028
  662    HB2  GLN  84           HB2      GLN  84  -5.318  -3.736   1.604
  663    HB3  GLN  84           HB3      GLN  84  -6.280  -3.675   0.127
  664    HG2  GLN  84           HG2      GLN  84  -7.233  -4.318   2.946
  665    HG3  GLN  84           HG3      GLN  84  -7.634  -2.910   1.997
  666   HE21  GLN  84          HE21      GLN  84  -9.674  -4.174   3.117
  667   HE22  GLN  84          HE22      GLN  84 -10.600  -5.088   1.916
  668    H    ARG  85           H        ARG  85  -4.060  -7.529   1.207
  669    HA   ARG  85           HA       ARG  85  -1.660  -6.321   0.582
  670    HB2  ARG  85           HB2      ARG  85  -2.491  -9.234   0.426
  671    HB3  ARG  85           HB3      ARG  85  -0.821  -8.687   0.254
  672    HG2  ARG  85           HG2      ARG  85  -0.824  -7.716   2.489
  673    HG3  ARG  85           HG3      ARG  85  -2.530  -8.101   2.720
  674    HD2  ARG  85           HD2      ARG  85  -0.353 -10.169   2.224
  675    HD3  ARG  85           HD3      ARG  85  -0.920  -9.698   3.824
  676    HE   ARG  85           HE       ARG  85  -3.248 -10.359   2.541
  677   HH11  ARG  85          HH11      ARG  85  -0.270 -12.167   3.149
  678   HH12  ARG  85          HH12      ARG  85  -1.086 -13.710   3.055
  679   HH21  ARG  85          HH22      ARG  85  -4.253 -12.311   2.572
  680   HH22  ARG  85          HH21      ARG  85  -3.336 -13.789   2.751
  681    H    ALA  86           H        ALA  86  -3.449  -8.480  -1.639
  682    HA   ALA  86           HA       ALA  86  -1.795  -8.012  -3.941
  683    HB1  ALA  86           HB1      ALA  86  -3.662  -9.143  -5.119
  684    HB2  ALA  86           HB2      ALA  86  -3.234  -9.994  -3.622
  685    HB3  ALA  86           HB3      ALA  86  -4.687  -8.969  -3.676
  686    H    LYS  87           H        LYS  87  -4.765  -6.394  -2.771
  687    HA   LYS  87           HA       LYS  87  -5.209  -4.808  -5.128
  688    HB2  LYS  87           HB2      LYS  87  -6.077  -4.282  -2.245
  689    HB3  LYS  87           HB3      LYS  87  -6.713  -3.508  -3.690
  690    HG2  LYS  87           HG2      LYS  87  -7.354  -5.889  -4.499
  691    HG3  LYS  87           HG3      LYS  87  -7.018  -6.398  -2.832
  692    HD2  LYS  87           HD2      LYS  87  -8.652  -4.498  -2.122
  693    HD3  LYS  87           HD3      LYS  87  -9.077  -4.384  -3.825
  694    HE2  LYS  87           HE2      LYS  87 -10.728  -5.752  -2.797
  695    HE3  LYS  87           HE3      LYS  87  -9.735  -6.819  -3.795
  696    HZ1  LYS  87           HZ1      LYS  87 -10.224  -7.686  -1.523
  697    HZ2  LYS  87           HZ2      LYS  87  -9.363  -6.449  -0.868
  698    HZ3  LYS  87           HZ3      LYS  87  -8.617  -7.575  -1.795
  699    H    VAL  88           H        VAL  88  -3.532  -4.021  -2.055
  700    HA   VAL  88           HA       VAL  88  -2.718  -1.392  -2.961
  701    HB   VAL  88           HB       VAL  88  -1.607  -3.112  -0.719
  702   HG11  VAL  88          HG11      VAL  88  -1.083  -0.168  -1.374
  703   HG12  VAL  88          HG12      VAL  88  -0.623  -0.981   0.131
  704   HG13  VAL  88          HG13      VAL  88   0.126  -1.472  -1.380
  705   HG21  VAL  88          HG21      VAL  88  -3.976  -2.377  -0.415
  706   HG22  VAL  88          HG22      VAL  88  -2.899  -1.553   0.717
  707   HG23  VAL  88          HG23      VAL  88  -3.494  -0.704  -0.730
  708    H    CYS  89           H        CYS  89  -1.094  -4.627  -3.126
  709    HA   CYS  89           HA       CYS  89   1.338  -3.781  -4.314
  710    HB2  CYS  89           HB2      CYS  89   0.741  -6.089  -3.519
  711    HB3  CYS  89           HB3      CYS  89  -0.308  -6.283  -4.932
  712    HG   CYS  89           HG       CYS  89   1.931  -7.601  -5.327
  713    H    GLU  90           H        GLU  90  -1.765  -4.588  -5.960
  714    HA   GLU  90           HA       GLU  90  -0.953  -3.858  -8.556
  715    HB2  GLU  90           HB2      GLU  90  -2.986  -5.169  -7.881
  716    HB3  GLU  90           HB3      GLU  90  -3.767  -3.651  -7.410
  717    HG2  GLU  90           HG2      GLU  90  -3.561  -2.817  -9.715
  718    HG3  GLU  90           HG3      GLU  90  -2.645  -4.258 -10.174
  719    H    PHE  91           H        PHE  91  -2.318  -1.710  -5.957
  720    HA   PHE  91           HA       PHE  91  -2.561   0.645  -7.568
  721    HB2  PHE  91           HB2      PHE  91  -3.609   0.726  -5.463
  722    HB3  PHE  91           HB3      PHE  91  -2.237   0.052  -4.623
  723    HD1  PHE  91           HD2      PHE  91  -3.160   3.114  -6.610
  724    HD2  PHE  91           HD1      PHE  91  -0.829   1.438  -3.407
  725    HE1  PHE  91           HE2      PHE  91  -2.249   5.371  -6.086
  726    HE2  PHE  91           HE1      PHE  91   0.039   3.699  -2.854
  727    HZ   PHE  91           HZ       PHE  91  -0.708   5.675  -4.180
  728    H    MET  92           H        MET  92   0.150  -0.538  -5.559
  729    HA   MET  92           HA       MET  92   1.975   1.591  -6.034
  730    HB2  MET  92           HB2      MET  92   2.428  -1.355  -5.461
  731    HB3  MET  92           HB3      MET  92   3.689  -0.134  -5.342
  732    HG2  MET  92           HG2      MET  92   1.111   0.084  -3.759
  733    HG3  MET  92           HG3      MET  92   2.441  -0.903  -3.193
  734    HE1  MET  92           HE1      MET  92   1.813   0.571  -1.029
  735    HE2  MET  92           HE2      MET  92   2.057   2.333  -0.938
  736    HE3  MET  92           HE3      MET  92   0.757   1.665  -1.940
  737    H    ILE  93           H        ILE  93   1.393  -1.414  -7.895
  738    HA   ILE  93           HA       ILE  93   3.551  -0.872  -9.789
  739    HB   ILE  93           HB       ILE  93   1.252  -2.862  -9.836
  740   HG12  ILE  93          HG12      ILE  93   4.207  -3.427  -9.301
  741   HG13  ILE  93          HG13      ILE  93   3.091  -3.054  -8.003
  742   HG21  ILE  93          HG21      ILE  93   3.740  -2.754 -11.610
  743   HG22  ILE  93          HG22      ILE  93   2.550  -4.063 -11.592
  744   HG23  ILE  93          HG23      ILE  93   2.067  -2.466 -12.146
  745   HD11  ILE  93          HD11      ILE  93   2.880  -5.440  -9.872
  746   HD12  ILE  93          HD12      ILE  93   3.265  -5.432  -8.145
  747   HD13  ILE  93          HD13      ILE  93   1.640  -4.975  -8.684
  748    H    SER  94           H        SER  94  -0.026  -0.680 -10.049
  749    HA   SER  94           HA       SER  94   0.187   0.305 -12.783
  750    HB2  SER  94           HB2      SER  94  -2.163  -0.260 -10.953
  751    HB3  SER  94           HB3      SER  94  -2.302   0.188 -12.664
  752    HG   SER  94           HG       SER  94  -2.339  -2.092 -12.395
  753    H    GLN  95           H        GLN  95  -0.064   2.034  -9.747
  754    HA   GLN  95           HA       GLN  95  -0.837   4.501 -11.301
  755    HB2  GLN  95           HB2      GLN  95  -1.253   3.905  -8.352
  756    HB3  GLN  95           HB3      GLN  95  -1.634   5.420  -9.154
  757    HG2  GLN  95           HG2      GLN  95  -2.937   2.748  -9.868
  758    HG3  GLN  95           HG3      GLN  95  -3.610   3.933  -8.761
  759   HE21  GLN  95          HE21      GLN  95  -2.655   3.527 -12.255
  760   HE22  GLN  95          HE22      GLN  95  -3.807   4.744 -12.790
  761    H    LEU  96           H        LEU  96   1.455   3.301  -8.770
  762    HA   LEU  96           HA       LEU  96   2.882   5.888  -8.921
  763    HB2  LEU  96           HB2      LEU  96   3.743   3.406  -7.406
  764    HB3  LEU  96           HB3      LEU  96   4.281   5.046  -7.185
  765    HG   LEU  96           HG       LEU  96   1.497   4.009  -6.506
  766   HD11  LEU  96          HD11      LEU  96   2.169   4.483  -4.197
  767   HD12  LEU  96          HD12      LEU  96   3.753   5.065  -4.750
  768   HD13  LEU  96          HD13      LEU  96   3.312   3.364  -4.958
  769   HD21  LEU  96          HD21      LEU  96   2.638   6.836  -6.297
  770   HD22  LEU  96          HD22      LEU  96   1.145   6.294  -5.509
  771   HD23  LEU  96          HD23      LEU  96   1.244   6.319  -7.271
  772    H    GLY  97           H        GLY  97   3.018   2.925 -10.632
  773    HA2  GLY  97           HA2      GLY  97   4.338   2.374 -12.460
  774    HA3  GLY  97           HA3      GLY  97   5.359   3.804 -12.162
  775    H    LEU  98           H        LEU  98   4.899   1.700  -9.423
  776    HA   LEU  98           HA       LEU  98   7.720   1.062  -9.340
  777    HB2  LEU  98           HB2      LEU  98   5.348   0.190  -7.664
  778    HB3  LEU  98           HB3      LEU  98   6.976  -0.355  -7.340
  779    HG   LEU  98           HG       LEU  98   6.429   2.632  -7.544
  780   HD11  LEU  98          HD11      LEU  98   5.965   0.870  -5.116
  781   HD12  LEU  98          HD12      LEU  98   4.778   1.863  -5.964
  782   HD13  LEU  98          HD13      LEU  98   6.090   2.646  -5.072
  783   HD21  LEU  98          HD21      LEU  98   8.462   0.953  -5.994
  784   HD22  LEU  98          HD22      LEU  98   8.366   2.722  -5.995
  785   HD23  LEU  98          HD23      LEU  98   8.785   1.865  -7.484
  786    H    GLN  99           H        GLN  99   8.627  -1.134  -9.365
  787    HA   GLN  99           HA       GLN  99   7.293  -2.815 -11.441
  788    HB2  GLN  99           HB2      GLN  99  10.088  -3.052 -10.257
  789    HB3  GLN  99           HB3      GLN  99   9.432  -3.958 -11.618
  790    HG2  GLN  99           HG2      GLN  99   9.975  -0.953 -11.550
  791    HG3  GLN  99           HG3      GLN  99  10.918  -2.169 -12.392
  792   HE21  GLN  99          HE21      GLN  99   8.152  -0.027 -12.682
  793   HE22  GLN  99          HE22      GLN  99   7.633  -0.650 -14.234
  794    H    LYS 100           H        LYS 100   6.705  -4.980 -11.055
  795    HA   LYS 100           HA       LYS 100   5.607  -5.564  -8.552
  796    HB2  LYS 100           HB2      LYS 100   4.962  -6.525 -10.694
  797    HB3  LYS 100           HB3      LYS 100   6.410  -7.550 -10.678
  798    HG2  LYS 100           HG2      LYS 100   5.661  -8.722  -8.704
  799    HG3  LYS 100           HG3      LYS 100   4.385  -7.531  -8.376
  800    HD2  LYS 100           HD2      LYS 100   3.161  -8.174 -10.361
  801    HD3  LYS 100           HD3      LYS 100   4.515  -9.192 -10.886
  802    HE2  LYS 100           HE2      LYS 100   4.186 -10.646  -8.878
  803    HE3  LYS 100           HE3      LYS 100   2.844  -9.619  -8.356
  804    HZ1  LYS 100           HZ1      LYS 100   2.050 -11.584  -9.531
  805    HZ2  LYS 100           HZ2      LYS 100   2.902 -11.200 -10.869
  806    HZ3  LYS 100           HZ3      LYS 100   1.660 -10.251 -10.388
  807    H    LYS 101           H        LYS 101   8.800  -6.480  -9.788
  808    HA   LYS 101           HA       LYS 101   9.663  -8.165  -7.663
  809    HB2  LYS 101           HB2      LYS 101  11.883  -7.849  -8.589
  810    HB3  LYS 101           HB3      LYS 101  10.702  -8.085  -9.876
  811    HG2  LYS 101           HG2      LYS 101  10.691  -5.630 -10.318
  812    HG3  LYS 101           HG3      LYS 101  11.880  -5.393  -9.023
  813    HD2  LYS 101           HD2      LYS 101  13.493  -6.833 -10.235
  814    HD3  LYS 101           HD3      LYS 101  12.301  -7.080 -11.530
  815    HE2  LYS 101           HE2      LYS 101  12.267  -4.632 -11.968
  816    HE3  LYS 101           HE3      LYS 101  13.448  -4.379 -10.673
  817    HZ1  LYS 101           HZ1      LYS 101  13.938  -5.959 -13.141
  818    HZ2  LYS 101           HZ2      LYS 101  15.029  -5.727 -11.943
  819    HZ3  LYS 101           HZ3      LYS 101  14.522  -4.462 -12.843
  820    H    ASN 102           H        ASN 102   9.271  -4.693  -7.550
  821    HA   ASN 102           HA       ASN 102  11.179  -4.284  -5.359
  822    HB2  ASN 102           HB2      ASN 102   8.836  -2.535  -6.226
  823    HB3  ASN 102           HB3      ASN 102  10.176  -2.082  -5.174
  824   HD21  ASN 102          HD21      ASN 102  12.434  -3.017  -6.624
  825   HD22  ASN 102          HD22      ASN 102  12.496  -2.096  -8.114
  826    H    ILE 103           H        ILE 103   8.038  -5.730  -5.507
  827    HA   ILE 103           HA       ILE 103   7.360  -4.852  -2.729
  828    HB   ILE 103           HB       ILE 103   5.491  -5.910  -4.873
  829   HG12  ILE 103          HG12      ILE 103   6.055  -3.018  -4.045
  830   HG13  ILE 103          HG13      ILE 103   6.487  -3.749  -5.593
  831   HG21  ILE 103          HG21      ILE 103   4.982  -4.506  -2.200
  832   HG22  ILE 103          HG22      ILE 103   3.734  -5.043  -3.344
  833   HG23  ILE 103          HG23      ILE 103   4.718  -6.233  -2.523
  834   HD11  ILE 103          HD11      ILE 103   4.067  -4.156  -6.050
  835   HD12  ILE 103          HD12      ILE 103   3.690  -3.181  -4.606
  836   HD13  ILE 103          HD13      ILE 103   4.559  -2.453  -5.970
  837    H    LYS 104           H        LYS 104   7.315  -6.191  -1.158
  838    HA   LYS 104           HA       LYS 104   7.249  -9.155  -1.545
  839    HB2  LYS 104           HB2      LYS 104   8.063  -7.430   0.833
  840    HB3  LYS 104           HB3      LYS 104   8.042  -9.192   0.815
  841    HG2  LYS 104           HG2      LYS 104   9.872  -7.438  -0.869
  842    HG3  LYS 104           HG3      LYS 104  10.293  -8.275   0.626
  843    HD2  LYS 104           HD2      LYS 104   9.626 -10.465  -0.563
  844    HD3  LYS 104           HD3      LYS 104   9.609  -9.508  -2.067
  845    HE2  LYS 104           HE2      LYS 104  11.969  -8.776  -1.537
  846    HE3  LYS 104           HE3      LYS 104  11.947  -9.833  -0.124
  847    HZ1  LYS 104           HZ1      LYS 104  11.635 -11.724  -1.624
  848    HZ2  LYS 104           HZ2      LYS 104  12.992 -10.912  -2.028
  849    HZ3  LYS 104           HZ3      LYS 104  11.646 -10.745  -2.936
  850    H    ILE 105           H        ILE 105   5.479 -10.240  -0.849
  851    HA   ILE 105           HA       ILE 105   3.398  -8.806   0.784
  852    HB   ILE 105           HB       ILE 105   3.049 -11.004  -1.297
  853   HG12  ILE 105          HG12      ILE 105   2.029  -8.119  -1.124
  854   HG13  ILE 105          HG13      ILE 105   3.297  -8.699  -2.201
  855   HG21  ILE 105          HG21      ILE 105   0.608 -10.855  -0.678
  856   HG22  ILE 105          HG22      ILE 105   1.595 -11.478   0.628
  857   HG23  ILE 105          HG23      ILE 105   1.074  -9.781   0.666
  858   HD11  ILE 105          HD11      ILE 105   1.604 -10.226  -3.288
  859   HD12  ILE 105          HD12      ILE 105   0.343  -9.389  -2.345
  860   HD13  ILE 105          HD13      ILE 105   1.322  -8.489  -3.504
  861    H    HIS 106           H        HIS 106   3.006  -9.545   2.716
  862    HA   HIS 106           HA       HIS 106   4.197 -12.157   3.605
  863    HB2  HIS 106           HB2      HIS 106   3.896  -9.566   5.148
  864    HB3  HIS 106           HB3      HIS 106   4.659 -11.040   5.731
  865    HD2  HIS 106           HD2      HIS 106   5.346  -7.968   3.579
  866    HE1  HIS 106           HE1      HIS 106   8.987 -10.170   3.727
  867    HE2  HIS 106           HE2      HIS 106   7.936  -7.950   3.079
  868    H    GLY 107           H        GLY 107   3.209 -12.713   5.887
  869    HA2  GLY 107           HA2      GLY 107   0.232 -12.879   5.605
  870    HA3  GLY 107           HA3      GLY 107   1.275 -13.936   6.565
  871    H    PHE 108           H        PHE 108  -0.052 -13.708   8.273
  872    HA   PHE 108           HA       PHE 108  -0.683 -11.209   9.660
  873    HB2  PHE 108           HB2      PHE 108  -1.031 -14.165  10.282
  874    HB3  PHE 108           HB3      PHE 108  -1.446 -12.903  11.413
  875    HD1  PHE 108           HD1      PHE 108  -2.208 -13.853   7.814
  876    HD2  PHE 108           HD2      PHE 108  -3.656 -12.238  11.542
  877    HE1  PHE 108           HE1      PHE 108  -4.487 -13.700   6.867
  878    HE2  PHE 108           HE2      PHE 108  -5.935 -12.071  10.582
  879    HZ   PHE 108           HZ       PHE 108  -6.356 -12.801   8.242
  Start of MODEL    7
    1    H1   MET   1           H        MET   1  31.984  16.863  44.102
    2    H2   MET   1           H2       MET   1  30.653  17.717  44.423
    3    H3   MET   1           H3       MET   1  31.911  18.453  43.716
    4    HA   MET   1           HA       MET   1  30.193  18.041  42.039
    5    HB2  MET   1           HB2      MET   1  32.592  16.201  41.677
    6    HB3  MET   1           HB3      MET   1  31.457  16.666  40.408
    7    HG2  MET   1           HG2      MET   1  32.057  19.069  40.779
    8    HG3  MET   1           HG3      MET   1  33.304  18.549  41.925
    9    HE1  MET   1           HE1      MET   1  35.383  19.768  38.873
   10    HE2  MET   1           HE2      MET   1  33.850  20.441  39.466
   11    HE3  MET   1           HE3      MET   1  35.099  19.916  40.620
   12    H    SER   2           H        SER   2  28.898  16.545  40.795
   13    HA   SER   2           HA       SER   2  28.292  13.910  42.065
   14    HB2  SER   2           HB2      SER   2  26.252  16.091  41.468
   15    HB3  SER   2           HB3      SER   2  25.885  14.443  41.997
   16    HG   SER   2           HG       SER   2  25.873  15.952  43.748
   17    H    ILE   3           H        ILE   3  27.093  12.463  40.703
   18    HA   ILE   3           HA       ILE   3  27.495  12.898  37.808
   19    HB   ILE   3           HB       ILE   3  28.248  10.800  38.892
   20   HG12  ILE   3          HG12      ILE   3  27.361   9.171  37.313
   21   HG13  ILE   3          HG13      ILE   3  26.053  10.253  36.852
   22   HG21  ILE   3          HG21      ILE   3  26.676   9.083  39.620
   23   HG22  ILE   3          HG22      ILE   3  26.450  10.541  40.588
   24   HG23  ILE   3          HG23      ILE   3  25.296  10.147  39.294
   25   HD11  ILE   3          HD11      ILE   3  29.030  10.828  36.465
   26   HD12  ILE   3          HD12      ILE   3  27.933  10.202  35.218
   27   HD13  ILE   3          HD13      ILE   3  27.687  11.830  35.864
   28    H    GLU   4           H        GLU   4  25.823  12.649  36.251
   29    HA   GLU   4           HA       GLU   4  23.044  12.432  36.982
   30    HB2  GLU   4           HB2      GLU   4  22.303  14.599  36.146
   31    HB3  GLU   4           HB3      GLU   4  23.330  14.783  37.563
   32    HG2  GLU   4           HG2      GLU   4  25.254  15.381  36.073
   33    HG3  GLU   4           HG3      GLU   4  24.189  15.240  34.671
   34    H    ASN   5           H        ASN   5  21.650  12.288  35.112
   35    HA   ASN   5           HA       ASN   5  22.957  10.959  32.890
   36    HB2  ASN   5           HB2      ASN   5  20.698  10.457  32.143
   37    HB3  ASN   5           HB3      ASN   5  20.879  10.109  33.855
   38   HD21  ASN   5          HD21      ASN   5  19.301  12.257  31.473
   39   HD22  ASN   5          HD22      ASN   5  18.192  12.962  32.639
   40    H    LEU   6           H        LEU   6  22.671  11.396  30.669
   41    HA   LEU   6           HA       LEU   6  22.587  14.236  29.873
   42    HB2  LEU   6           HB2      LEU   6  23.144  13.339  27.611
   43    HB3  LEU   6           HB3      LEU   6  24.318  13.059  28.876
   44    HG   LEU   6           HG       LEU   6  23.626  10.685  29.050
   45   HD11  LEU   6          HD11      LEU   6  21.304  10.740  28.261
   46   HD12  LEU   6          HD12      LEU   6  22.259   9.681  27.227
   47   HD13  LEU   6          HD13      LEU   6  21.838  11.309  26.659
   48   HD21  LEU   6          HD21      LEU   6  25.494  11.391  27.603
   49   HD22  LEU   6          HD22      LEU   6  24.372  11.607  26.242
   50   HD23  LEU   6          HD23      LEU   6  24.652   9.990  26.925
   51    H    LYS   7           H        LYS   7  21.328  14.690  27.770
   52    HA   LYS   7           HA       LYS   7  18.525  14.431  28.497
   53    HB2  LYS   7           HB2      LYS   7  18.133  16.097  26.845
   54    HB3  LYS   7           HB3      LYS   7  19.588  16.548  27.724
   55    HG2  LYS   7           HG2      LYS   7  21.016  15.827  25.870
   56    HG3  LYS   7           HG3      LYS   7  19.642  15.106  25.040
   57    HD2  LYS   7           HD2      LYS   7  18.612  17.516  25.049
   58    HD3  LYS   7           HD3      LYS   7  20.249  18.040  25.457
   59    HE2  LYS   7           HE2      LYS   7  20.095  18.192  23.082
   60    HE3  LYS   7           HE3      LYS   7  21.059  16.746  23.403
   61    HZ1  LYS   7           HZ1      LYS   7  18.985  15.432  23.069
   62    HZ2  LYS   7           HZ2      LYS   7  19.390  16.282  21.732
   63    HZ3  LYS   7           HZ3      LYS   7  18.175  16.803  22.690
   64    H    SER   8           H        SER   8  16.998  14.380  26.328
   65    HA   SER   8           HA       SER   8  16.933  11.618  25.445
   66    HB2  SER   8           HB2      SER   8  14.979  12.475  24.094
   67    HB3  SER   8           HB3      SER   8  14.866  12.702  25.845
   68    HG   SER   8           HG       SER   8  14.254  14.599  24.661
   69    H    PHE   9           H        PHE   9  16.912  10.876  23.261
   70    HA   PHE   9           HA       PHE   9  19.117  11.838  21.667
   71    HB2  PHE   9           HB2      PHE   9  18.576   9.459  21.954
   72    HB3  PHE   9           HB3      PHE   9  17.003   9.699  21.205
   73    HD1  PHE   9           HD1      PHE   9  20.649  10.333  20.422
   74    HD2  PHE   9           HD2      PHE   9  16.801   9.034  18.965
   75    HE1  PHE   9           HE1      PHE   9  21.646   9.861  18.198
   76    HE2  PHE   9           HE2      PHE   9  17.810   8.533  16.756
   77    HZ   PHE   9           HZ       PHE   9  20.228   8.963  16.361
   78    H    ASP  10           H        ASP  10  19.039  12.400  19.419
   79    HA   ASP  10           HA       ASP  10  16.620  13.952  18.565
   80    HB2  ASP  10           HB2      ASP  10  19.547  14.424  17.920
   81    HB3  ASP  10           HB3      ASP  10  18.177  15.331  17.273
   82    HA   PRO  11           HA       PRO  11  17.062  10.429  15.553
   83    HB2  PRO  11           HB2      PRO  11  14.399  10.061  15.029
   84    HB3  PRO  11           HB3      PRO  11  15.233   9.364  16.449
   85    HG2  PRO  11           HG2      PRO  11  13.592  11.914  16.324
   86    HG3  PRO  11           HG3      PRO  11  13.485  10.584  17.521
   87    HD2  PRO  11           HD2      PRO  11  14.884  12.847  18.026
   88    HD3  PRO  11           HD3      PRO  11  15.489  11.253  18.576
   89    H    PHE  12           H        PHE  12  15.413  13.537  15.310
   90    HA   PHE  12           HA       PHE  12  15.202  13.342  12.380
   91    HB2  PHE  12           HB2      PHE  12  14.347  15.536  14.284
   92    HB3  PHE  12           HB3      PHE  12  13.869  15.358  12.601
   93    HD1  PHE  12           HD2      PHE  12  13.535  12.058  13.262
   94    HD2  PHE  12           HD1      PHE  12  11.915  15.794  14.720
   95    HE1  PHE  12           HE2      PHE  12  11.486  10.896  13.982
   96    HE2  PHE  12           HE1      PHE  12   9.863  14.606  15.449
   97    HZ   PHE  12           HZ       PHE  12   9.645  12.155  15.086
   98    H    ALA  13           H        ALA  13  17.771  14.051  14.244
   99    HA   ALA  13           HA       ALA  13  18.779  16.473  12.970
  100    HB1  ALA  13           HB1      ALA  13  20.158  14.296  14.611
  101    HB2  ALA  13           HB2      ALA  13  20.846  15.877  14.192
  102    HB3  ALA  13           HB3      ALA  13  19.431  15.788  15.252
  103    H    ASP  14           H        ASP  14  18.657  13.149  11.987
  104    HA   ASP  14           HA       ASP  14  20.962  13.109  10.244
  105    HB2  ASP  14           HB2      ASP  14  19.981  11.058  11.099
  106    HB3  ASP  14           HB3      ASP  14  18.429  11.437  10.346
  107    H    THR  15           H        THR  15  21.234  13.911   8.271
  108    HA   THR  15           HA       THR  15  19.100  15.392   6.884
  109    HB   THR  15           HB       THR  15  20.997  15.996   5.339
  110    HG1  THR  15           HG1      THR  15  23.075  15.428   6.043
  111   HG21  THR  15          HG21      THR  15  21.515  16.541   8.302
  112   HG22  THR  15          HG22      THR  15  20.376  17.433   7.271
  113   HG23  THR  15          HG23      THR  15  22.113  17.492   6.925
  114    H    GLY  16           H        GLY  16  20.467  12.216   6.674
  115    HA2  GLY  16           HA2      GLY  16  19.848  10.441   5.313
  116    HA3  GLY  16           HA3      GLY  16  18.681  11.499   4.503
  117    H    ASP  17           H        ASP  17  19.117  10.825   2.459
  118    HA   ASP  17           HA       ASP  17  21.635  11.738   1.176
  119    HB2  ASP  17           HB2      ASP  17  20.425   8.952   0.910
  120    HB3  ASP  17           HB3      ASP  17  21.606   9.625  -0.208
  121    H    ASP  18           H        ASP  18  21.426  12.109  -1.094
  122    HA   ASP  18           HA       ASP  18  18.902  13.265  -1.863
  123    HB2  ASP  18           HB2      ASP  18  21.189  14.127  -2.420
  124    HB3  ASP  18           HB3      ASP  18  21.411  12.757  -3.509
  125    H    GLU  19           H        GLU  19  20.138  10.085  -2.243
  126    HA   GLU  19           HA       GLU  19  17.788   9.120  -3.585
  127    HB2  GLU  19           HB2      GLU  19  18.834   8.146  -5.554
  128    HB3  GLU  19           HB3      GLU  19  18.953   9.900  -5.593
  129    HG2  GLU  19           HG2      GLU  19  21.329   9.746  -4.822
  130    HG3  GLU  19           HG3      GLU  19  21.202   7.985  -4.828
  131    H    THR  20           H        THR  20  17.717   6.768  -3.672
  132    HA   THR  20           HA       THR  20  19.090   5.512  -1.424
  133    HB   THR  20           HB       THR  20  17.729   3.494  -2.166
  134    HG1  THR  20           HG1      THR  20  17.430   4.152  -4.334
  135   HG21  THR  20          HG21      THR  20  15.603   4.416  -1.365
  136   HG22  THR  20          HG22      THR  20  16.194   6.074  -1.612
  137   HG23  THR  20          HG23      THR  20  16.951   5.026  -0.391
  138    H    ALA  21           H        ALA  21  20.777   4.172  -1.453
  139    HA   ALA  21           HA       ALA  21  22.384   3.881  -3.836
  140    HB1  ALA  21           HB1      ALA  21  22.631   2.608  -1.068
  141    HB2  ALA  21           HB2      ALA  21  23.905   2.690  -2.302
  142    HB3  ALA  21           HB3      ALA  21  23.306   4.182  -1.556
  143    H    THR  22           H        THR  22  19.893   1.908  -2.489
  144    HA   THR  22           HA       THR  22  20.323  -0.261  -4.475
  145    HB   THR  22           HB       THR  22  19.628  -1.919  -2.702
  146    HG1  THR  22           HG1      THR  22  18.829  -0.445  -1.167
  147   HG21  THR  22          HG21      THR  22  22.254  -0.499  -2.088
  148   HG22  THR  22          HG22      THR  22  22.009  -1.680  -3.394
  149   HG23  THR  22          HG23      THR  22  21.821  -2.176  -1.703
  150    H    SER  23           H        SER  23  18.373  -1.533  -4.860
  151    HA   SER  23           HA       SER  23  15.960   0.094  -4.961
  152    HB2  SER  23           HB2      SER  23  15.022  -1.991  -6.021
  153    HB3  SER  23           HB3      SER  23  16.411  -1.263  -6.835
  154    HG   SER  23           HG       SER  23  16.475  -3.528  -5.097
  155    H    ASN  24           H        ASN  24  15.352   0.519  -2.818
  156    HA   ASN  24           HA       ASN  24  15.097  -1.445  -0.795
  157    HB2  ASN  24           HB2      ASN  24  15.305   1.023  -0.452
  158    HB3  ASN  24           HB3      ASN  24  13.639   1.218  -1.013
  159   HD21  ASN  24          HD21      ASN  24  11.947   0.877   0.541
  160   HD22  ASN  24          HD22      ASN  24  12.271   0.233   2.132
  161    H    TYR  25           H        TYR  25  13.463  -2.750  -0.093
  162    HA   TYR  25           HA       TYR  25  11.307  -3.324  -1.955
  163    HB2  TYR  25           HB2      TYR  25  12.140  -4.552   0.689
  164    HB3  TYR  25           HB3      TYR  25  10.759  -5.111  -0.244
  165    HD1  TYR  25           HD1      TYR  25  11.075  -5.985  -2.584
  166    HD2  TYR  25           HD2      TYR  25  14.373  -5.260   0.094
  167    HE1  TYR  25           HE1      TYR  25  12.540  -7.432  -3.994
  168    HE2  TYR  25           HE2      TYR  25  15.830  -6.719  -1.295
  169    HH   TYR  25           HH       TYR  25  15.974  -8.057  -3.165
  170    H    ILE  26           H        ILE  26   9.172  -3.120  -1.740
  171    HA   ILE  26           HA       ILE  26   7.999  -1.504   0.503
  172    HB   ILE  26           HB       ILE  26   6.748  -2.468  -2.106
  173   HG12  ILE  26          HG12      ILE  26   6.708   0.260  -2.312
  174   HG13  ILE  26          HG13      ILE  26   8.215   0.058  -1.424
  175   HG21  ILE  26          HG21      ILE  26   5.094  -2.192  -0.287
  176   HG22  ILE  26          HG22      ILE  26   5.699  -0.549   0.027
  177   HG23  ILE  26          HG23      ILE  26   4.892  -0.938  -1.507
  178   HD11  ILE  26          HD11      ILE  26   7.499  -1.250  -4.087
  179   HD12  ILE  26          HD12      ILE  26   8.575   0.143  -3.856
  180   HD13  ILE  26          HD13      ILE  26   9.054  -1.440  -3.236
  181    H    HIS  27           H        HIS  27   6.980  -2.588   2.109
  182    HA   HIS  27           HA       HIS  27   6.491  -5.527   1.756
  183    HB2  HIS  27           HB2      HIS  27   7.049  -3.984   4.305
  184    HB3  HIS  27           HB3      HIS  27   6.842  -5.722   4.144
  185    HD2  HIS  27           HD2      HIS  27   9.429  -2.986   3.917
  186    HE1  HIS  27           HE1      HIS  27  11.418  -6.529   2.653
  187    HE2  HIS  27           HE2      HIS  27  11.739  -4.091   3.328
  188    H    ILE  28           H        ILE  28   4.438  -6.146   1.741
  189    HA   ILE  28           HA       ILE  28   2.369  -4.530   3.214
  190    HB   ILE  28           HB       ILE  28   1.886  -6.336   0.817
  191   HG12  ILE  28          HG12      ILE  28   1.804  -3.289   0.768
  192   HG13  ILE  28          HG13      ILE  28   3.233  -4.187   0.266
  193   HG21  ILE  28          HG21      ILE  28  -0.109  -6.169   2.172
  194   HG22  ILE  28          HG22      ILE  28   0.160  -4.439   2.483
  195   HG23  ILE  28          HG23      ILE  28  -0.346  -4.977   0.896
  196   HD11  ILE  28          HD11      ILE  28   0.513  -4.420  -1.047
  197   HD12  ILE  28          HD12      ILE  28   1.964  -3.635  -1.689
  198   HD13  ILE  28          HD13      ILE  28   1.942  -5.394  -1.449
  199    H    ARG  29           H        ARG  29   1.710  -5.458   4.991
  200    HA   ARG  29           HA       ARG  29   1.766  -8.431   5.328
  201    HB2  ARG  29           HB2      ARG  29   2.489  -6.480   7.538
  202    HB3  ARG  29           HB3      ARG  29   2.707  -8.230   7.479
  203    HG2  ARG  29           HG2      ARG  29   4.328  -7.673   5.463
  204    HG3  ARG  29           HG3      ARG  29   4.314  -6.047   6.137
  205    HD2  ARG  29           HD2      ARG  29   5.025  -7.035   8.359
  206    HD3  ARG  29           HD3      ARG  29   5.107  -8.616   7.584
  207    HE   ARG  29           HE       ARG  29   7.093  -8.042   6.548
  208   HH11  ARG  29          HH11      ARG  29   5.705  -5.055   7.882
  209   HH12  ARG  29          HH12      ARG  29   7.182  -4.168   7.549
  210   HH21  ARG  29          HH21      ARG  29   8.954  -6.748   6.209
  211   HH22  ARG  29          HH22      ARG  29   8.885  -5.054   6.647
  212    H    ILE  30           H        ILE  30   0.511  -8.995   7.452
  213    HA   ILE  30           HA       ILE  30  -1.922  -7.258   7.700
  214    HB   ILE  30           HB       ILE  30  -1.959 -10.275   7.981
  215   HG12  ILE  30          HG12      ILE  30  -2.867  -8.606   5.588
  216   HG13  ILE  30          HG13      ILE  30  -1.435  -9.638   5.607
  217   HG21  ILE  30          HG21      ILE  30  -4.426  -9.911   7.874
  218   HG22  ILE  30          HG22      ILE  30  -3.732  -9.003   9.197
  219   HG23  ILE  30          HG23      ILE  30  -4.171  -8.170   7.692
  220   HD11  ILE  30          HD11      ILE  30  -3.097 -10.898   4.521
  221   HD12  ILE  30          HD12      ILE  30  -2.925 -11.615   6.127
  222   HD13  ILE  30          HD13      ILE  30  -4.314 -10.559   5.754
  223    H    GLN  31           H        GLN  31  -2.619  -6.776   9.627
  224    HA   GLN  31           HA       GLN  31  -0.985  -7.339  12.030
  225    HB2  GLN  31           HB2      GLN  31  -1.720  -5.013  11.331
  226    HB3  GLN  31           HB3      GLN  31  -3.387  -5.528  11.516
  227    HG2  GLN  31           HG2      GLN  31  -2.777  -4.245  13.432
  228    HG3  GLN  31           HG3      GLN  31  -3.032  -5.910  13.941
  229   HE21  GLN  31          HE21      GLN  31  -0.029  -4.444  12.440
  230   HE22  GLN  31          HE22      GLN  31   0.941  -4.761  13.866
  231    H    GLN  32           H        GLN  32  -1.617  -8.810  13.535
  232    HA   GLN  32           HA       GLN  32  -3.996 -10.399  13.182
  233    HB2  GLN  32           HB2      GLN  32  -3.207 -11.704  14.993
  234    HB3  GLN  32           HB3      GLN  32  -1.825 -11.289  13.997
  235    HG2  GLN  32           HG2      GLN  32  -2.562 -10.141  16.721
  236    HG3  GLN  32           HG3      GLN  32  -1.211 -11.193  16.347
  237   HE21  GLN  32          HE21      GLN  32  -1.643  -8.161  17.311
  238   HE22  GLN  32          HE22      GLN  32  -0.545  -7.284  16.254
  239    H    ARG  33           H        ARG  33  -5.917 -10.409  14.248
  240    HA   ARG  33           HA       ARG  33  -6.630  -7.955  15.656
  241    HB2  ARG  33           HB2      ARG  33  -8.940  -8.785  15.528
  242    HB3  ARG  33           HB3      ARG  33  -8.131  -8.660  13.976
  243    HG2  ARG  33           HG2      ARG  33  -7.804 -11.099  13.894
  244    HG3  ARG  33           HG3      ARG  33  -8.521 -11.271  15.509
  245    HD2  ARG  33           HD2      ARG  33 -10.662 -10.429  14.708
  246    HD3  ARG  33           HD3      ARG  33  -9.992 -10.066  13.122
  247    HE   ARG  33           HE       ARG  33 -10.703 -12.711  14.220
  248   HH11  ARG  33          HH11      ARG  33  -9.140 -11.030  11.506
  249   HH12  ARG  33          HH12      ARG  33  -9.299 -12.416  10.462
  250   HH21  ARG  33          HH21      ARG  33 -10.849 -14.442  12.817
  251   HH22  ARG  33          HH22      ARG  33 -10.239 -14.314  11.197
  252    H    ASN  34           H        ASN  34  -7.738  -7.808  17.530
  253    HA   ASN  34           HA       ASN  34  -8.268  -9.823  19.451
  254    HB2  ASN  34           HB2      ASN  34  -5.808  -9.888  19.753
  255    HB3  ASN  34           HB3      ASN  34  -5.780  -8.161  20.070
  256   HD21  ASN  34          HD21      ASN  34  -4.649  -9.119  22.081
  257   HD22  ASN  34          HD22      ASN  34  -5.695  -9.527  23.429
  258    H    GLY  35           H        GLY  35  -7.120  -6.808  20.825
  259    HA2  GLY  35           HA2      GLY  35  -9.821  -5.639  21.014
  260    HA3  GLY  35           HA3      GLY  35  -8.288  -4.921  21.579
  261    H    ARG  36           H        ARG  36  -6.967  -5.340  19.006
  262    HA   ARG  36           HA       ARG  36  -8.014  -3.139  17.351
  263    HB2  ARG  36           HB2      ARG  36  -5.922  -3.334  16.134
  264    HB3  ARG  36           HB3      ARG  36  -5.630  -3.233  17.865
  265    HG2  ARG  36           HG2      ARG  36  -5.387  -5.809  17.849
  266    HG3  ARG  36           HG3      ARG  36  -5.456  -5.708  16.089
  267    HD2  ARG  36           HD2      ARG  36  -3.158  -5.837  16.740
  268    HD3  ARG  36           HD3      ARG  36  -3.451  -4.198  16.138
  269    HE   ARG  36           HE       ARG  36  -3.865  -4.142  18.929
  270   HH11  ARG  36          HH11      ARG  36  -1.066  -4.759  16.821
  271   HH12  ARG  36          HH12      ARG  36   0.042  -4.127  18.005
  272   HH21  ARG  36          HH21      ARG  36  -2.364  -3.366  20.383
  273   HH22  ARG  36          HH22      ARG  36  -0.675  -3.375  19.983
  274    H    LYS  37           H        LYS  37  -8.390  -3.376  15.103
  275    HA   LYS  37           HA       LYS  37  -9.787  -5.799  14.225
  276    HB2  LYS  37           HB2      LYS  37  -9.036  -3.142  12.918
  277    HB3  LYS  37           HB3      LYS  37  -9.906  -4.412  12.059
  278    HG2  LYS  37           HG2      LYS  37 -11.763  -4.310  13.645
  279    HG3  LYS  37           HG3      LYS  37 -10.929  -3.049  14.583
  280    HD2  LYS  37           HD2      LYS  37 -10.976  -1.518  12.691
  281    HD3  LYS  37           HD3      LYS  37 -11.616  -2.782  11.620
  282    HE2  LYS  37           HE2      LYS  37 -13.686  -2.906  12.928
  283    HE3  LYS  37           HE3      LYS  37 -13.077  -1.700  14.072
  284    HZ1  LYS  37           HZ1      LYS  37 -14.558  -0.789  12.301
  285    HZ2  LYS  37           HZ2      LYS  37 -13.418  -1.156  11.172
  286    HZ3  LYS  37           HZ3      LYS  37 -13.094  -0.064  12.341
  287    H    THR  38           H        THR  38  -9.325  -6.701  12.012
  288    HA   THR  38           HA       THR  38  -6.479  -7.382  11.558
  289    HB   THR  38           HB       THR  38  -9.021  -8.132  10.044
  290    HG1  THR  38           HG1      THR  38  -7.257  -9.537  11.780
  291   HG21  THR  38          HG21      THR  38  -7.584  -9.861   8.976
  292   HG22  THR  38          HG22      THR  38  -6.151  -9.128   9.733
  293   HG23  THR  38          HG23      THR  38  -7.083  -8.229   8.514
  294    H    LEU  39           H        LEU  39  -5.217  -6.098  10.424
  295    HA   LEU  39           HA       LEU  39  -6.357  -4.147   8.455
  296    HB2  LEU  39           HB2      LEU  39  -4.170  -3.588  10.509
  297    HB3  LEU  39           HB3      LEU  39  -4.809  -2.448   9.340
  298    HG   LEU  39           HG       LEU  39  -6.416  -3.632  11.647
  299   HD11  LEU  39          HD11      LEU  39  -6.135  -1.484  12.751
  300   HD12  LEU  39          HD12      LEU  39  -5.152  -0.885  11.403
  301   HD13  LEU  39          HD13      LEU  39  -4.550  -2.206  12.430
  302   HD21  LEU  39          HD21      LEU  39  -7.895  -2.927   9.852
  303   HD22  LEU  39          HD22      LEU  39  -7.036  -1.377   9.690
  304   HD23  LEU  39          HD23      LEU  39  -7.981  -1.738  11.152
  305    H    THR  40           H        THR  40  -5.054  -3.673   6.708
  306    HA   THR  40           HA       THR  40  -2.677  -5.394   6.194
  307    HB   THR  40           HB       THR  40  -4.298  -3.520   4.433
  308    HG1  THR  40           HG1      THR  40  -5.104  -5.598   5.112
  309   HG21  THR  40          HG21      THR  40  -1.959  -3.519   3.617
  310   HG22  THR  40          HG22      THR  40  -2.975  -4.510   2.560
  311   HG23  THR  40          HG23      THR  40  -1.907  -5.295   3.746
  312    H    THR  41           H        THR  41  -0.758  -4.653   6.853
  313    HA   THR  41           HA       THR  41  -0.310  -1.742   7.278
  314    HB   THR  41           HB       THR  41   1.843  -2.702   8.399
  315    HG1  THR  41           HG1      THR  41   1.451  -4.734   9.319
  316   HG21  THR  41          HG21      THR  41  -0.934  -2.985   9.635
  317   HG22  THR  41          HG22      THR  41   0.002  -1.477   9.499
  318   HG23  THR  41          HG23      THR  41   0.606  -2.795  10.518
  319    H    VAL  42           H        VAL  42   0.792  -0.616   5.972
  320    HA   VAL  42           HA       VAL  42   2.507  -1.926   3.884
  321    HB   VAL  42           HB       VAL  42   1.283   0.841   3.774
  322   HG11  VAL  42          HG11      VAL  42   2.505  -0.934   1.616
  323   HG12  VAL  42          HG12      VAL  42   1.744   0.650   1.353
  324   HG13  VAL  42          HG13      VAL  42   3.231   0.538   2.296
  325   HG21  VAL  42          HG21      VAL  42  -0.573  -0.772   3.834
  326   HG22  VAL  42          HG22      VAL  42  -0.396  -0.098   2.219
  327   HG23  VAL  42          HG23      VAL  42   0.213  -1.740   2.566
  328    H    GLN  43           H        GLN  43   4.594  -1.534   3.865
  329    HA   GLN  43           HA       GLN  43   5.839   0.759   5.338
  330    HB2  GLN  43           HB2      GLN  43   5.675  -1.337   6.755
  331    HB3  GLN  43           HB3      GLN  43   6.567  -2.198   5.513
  332    HG2  GLN  43           HG2      GLN  43   8.529  -0.615   5.945
  333    HG3  GLN  43           HG3      GLN  43   7.598   0.050   7.293
  334   HE21  GLN  43          HE21      GLN  43   8.106  -0.968   9.299
  335   HE22  GLN  43          HE22      GLN  43   8.763  -2.597   9.385
  336    H    GLY  44           H        GLY  44   8.071   1.191   4.577
  337    HA2  GLY  44           HA2      GLY  44   9.923   1.039   3.229
  338    HA3  GLY  44           HA3      GLY  44   9.274  -0.469   2.556
  339    H    VAL  45           H        VAL  45   6.881   1.592   1.875
  340    HA   VAL  45           HA       VAL  45   7.471   2.078  -0.849
  341    HB   VAL  45           HB       VAL  45   5.217   2.165  -0.038
  342   HG11  VAL  45          HG11      VAL  45   5.548   3.347   2.134
  343   HG12  VAL  45          HG12      VAL  45   5.813   4.863   1.238
  344   HG13  VAL  45          HG13      VAL  45   4.249   4.037   1.152
  345   HG21  VAL  45          HG21      VAL  45   5.797   3.305  -2.163
  346   HG22  VAL  45          HG22      VAL  45   4.421   4.064  -1.355
  347   HG23  VAL  45          HG23      VAL  45   6.016   4.834  -1.274
  348    HA   PRO  46           HA       PRO  46  10.689   5.140  -0.626
  349    HB2  PRO  46           HB2      PRO  46   9.434   6.041  -3.227
  350    HB3  PRO  46           HB3      PRO  46  11.152   5.886  -2.835
  351    HG2  PRO  46           HG2      PRO  46   9.941   3.920  -4.214
  352    HG3  PRO  46           HG3      PRO  46  10.990   3.471  -2.831
  353    HD2  PRO  46           HD2      PRO  46   7.966   3.692  -2.896
  354    HD3  PRO  46           HD3      PRO  46   9.004   2.418  -2.187
  355    H    GLU  47           H        GLU  47  10.948   7.214   0.135
  356    HA   GLU  47           HA       GLU  47   8.641   8.387   1.283
  357    HB2  GLU  47           HB2      GLU  47  11.007   8.260   2.187
  358    HB3  GLU  47           HB3      GLU  47  11.443   9.583   1.098
  359    HG2  GLU  47           HG2      GLU  47   9.849  11.073   2.266
  360    HG3  GLU  47           HG3      GLU  47   9.298   9.723   3.268
  361    H    GLU  48           H        GLU  48  10.002   8.988  -1.812
  362    HA   GLU  48           HA       GLU  48   9.096  11.700  -2.218
  363    HB2  GLU  48           HB2      GLU  48   9.471  11.296  -4.557
  364    HB3  GLU  48           HB3      GLU  48  10.811  10.645  -3.620
  365    HG2  GLU  48           HG2      GLU  48   9.831   8.349  -3.860
  366    HG3  GLU  48           HG3      GLU  48   8.538   9.022  -4.856
  367    H    TYR  49           H        TYR  49   7.380   8.675  -2.024
  368    HA   TYR  49           HA       TYR  49   4.947   9.753  -3.336
  369    HB2  TYR  49           HB2      TYR  49   5.492   7.049  -2.067
  370    HB3  TYR  49           HB3      TYR  49   4.045   7.520  -2.941
  371    HD1  TYR  49           HD1      TYR  49   4.368   8.333  -5.420
  372    HD2  TYR  49           HD2      TYR  49   7.295   6.030  -3.246
  373    HE1  TYR  49           HE1      TYR  49   5.364   7.577  -7.570
  374    HE2  TYR  49           HE2      TYR  49   8.316   5.313  -5.391
  375    HH   TYR  49           HH       TYR  49   6.961   6.243  -8.571
  376    H    ASP  50           H        ASP  50   3.681  11.015  -2.142
  377    HA   ASP  50           HA       ASP  50   3.827  11.265   0.713
  378    HB2  ASP  50           HB2      ASP  50   3.246  13.153  -0.617
  379    HB3  ASP  50           HB3      ASP  50   1.916  12.301  -1.394
  380    H    LEU  51           H        LEU  51   2.999  10.027   2.226
  381    HA   LEU  51           HA       LEU  51   1.408   7.724   1.781
  382    HB2  LEU  51           HB2      LEU  51   1.770   9.316   4.353
  383    HB3  LEU  51           HB3      LEU  51   1.233   7.646   4.236
  384    HG   LEU  51           HG       LEU  51   4.005   8.743   3.627
  385   HD11  LEU  51          HD11      LEU  51   2.952   6.813   5.744
  386   HD12  LEU  51          HD12      LEU  51   3.400   8.513   6.004
  387   HD13  LEU  51          HD13      LEU  51   4.641   7.329   5.549
  388   HD21  LEU  51          HD21      LEU  51   4.742   6.426   3.243
  389   HD22  LEU  51          HD22      LEU  51   3.567   6.914   2.021
  390   HD23  LEU  51          HD23      LEU  51   3.071   5.849   3.361
  391    H    LYS  52           H        LYS  52   0.432  10.993   2.775
  392    HA   LYS  52           HA       LYS  52  -2.346  10.470   3.238
  393    HB2  LYS  52           HB2      LYS  52  -1.031  13.011   2.206
  394    HB3  LYS  52           HB3      LYS  52  -2.632  12.882   2.933
  395    HG2  LYS  52           HG2      LYS  52  -1.593  12.097   5.064
  396    HG3  LYS  52           HG3      LYS  52   0.011  12.311   4.361
  397    HD2  LYS  52           HD2      LYS  52  -2.064  14.474   4.876
  398    HD3  LYS  52           HD3      LYS  52  -0.572  14.219   5.773
  399    HE2  LYS  52           HE2      LYS  52  -0.803  15.105   2.857
  400    HE3  LYS  52           HE3      LYS  52  -0.402  16.130   4.235
  401    HZ1  LYS  52           HZ1      LYS  52   1.603  15.520   3.125
  402    HZ2  LYS  52           HZ2      LYS  52   1.261  13.928   3.137
  403    HZ3  LYS  52           HZ3      LYS  52   1.608  14.712   4.546
  404    H    ARG  53           H        ARG  53  -0.573  11.000   0.208
  405    HA   ARG  53           HA       ARG  53  -2.968  11.055  -1.457
  406    HB2  ARG  53           HB2      ARG  53  -0.184  11.534  -1.867
  407    HB3  ARG  53           HB3      ARG  53  -0.573  10.152  -2.866
  408    HG2  ARG  53           HG2      ARG  53  -0.895  12.138  -4.177
  409    HG3  ARG  53           HG3      ARG  53  -2.478  11.415  -3.870
  410    HD2  ARG  53           HD2      ARG  53  -2.562  13.864  -3.652
  411    HD3  ARG  53           HD3      ARG  53  -2.934  13.094  -2.120
  412    HE   ARG  53           HE       ARG  53  -0.799  13.729  -1.232
  413   HH11  ARG  53          HH11      ARG  53  -1.217  15.144  -4.466
  414   HH12  ARG  53          HH12      ARG  53   0.066  16.284  -4.191
  415   HH21  ARG  53          HH21      ARG  53   0.749  15.114  -0.972
  416   HH22  ARG  53          HH22      ARG  53   1.190  16.292  -2.200
  417    H    ILE  54           H        ILE  54  -0.742   8.495  -0.351
  418    HA   ILE  54           HA       ILE  54  -1.945   6.311  -1.839
  419    HB   ILE  54           HB       ILE  54  -0.551   6.253   0.859
  420   HG12  ILE  54          HG12      ILE  54   0.511   5.784  -1.961
  421   HG13  ILE  54          HG13      ILE  54   0.868   7.171  -0.951
  422   HG21  ILE  54          HG21      ILE  54  -1.359   4.037  -1.066
  423   HG22  ILE  54          HG22      ILE  54  -0.269   3.809   0.317
  424   HG23  ILE  54          HG23      ILE  54  -1.933   4.285   0.591
  425   HD11  ILE  54          HD11      ILE  54   1.932   5.618   0.728
  426   HD12  ILE  54          HD12      ILE  54   1.776   4.323  -0.481
  427   HD13  ILE  54          HD13      ILE  54   2.751   5.755  -0.837
  428    H    LEU  55           H        LEU  55  -2.729   7.668   1.452
  429    HA   LEU  55           HA       LEU  55  -5.063   6.132   1.866
  430    HB2  LEU  55           HB2      LEU  55  -4.792   9.068   2.635
  431    HB3  LEU  55           HB3      LEU  55  -5.832   7.853   3.323
  432    HG   LEU  55           HG       LEU  55  -2.889   8.277   3.756
  433   HD11  LEU  55          HD11      LEU  55  -3.592   8.278   6.106
  434   HD12  LEU  55          HD12      LEU  55  -5.251   7.863   5.631
  435   HD13  LEU  55          HD13      LEU  55  -4.551   9.433   5.169
  436   HD21  LEU  55          HD21      LEU  55  -4.386   5.706   4.395
  437   HD22  LEU  55          HD22      LEU  55  -2.811   6.185   5.078
  438   HD23  LEU  55          HD23      LEU  55  -2.949   5.906   3.341
  439    H    LYS  56           H        LYS  56  -4.822   9.324   0.112
  440    HA   LYS  56           HA       LYS  56  -7.552   9.586  -0.368
  441    HB2  LYS  56           HB2      LYS  56  -5.680  11.290  -0.564
  442    HB3  LYS  56           HB3      LYS  56  -5.189  10.521  -2.069
  443    HG2  LYS  56           HG2      LYS  56  -6.436  12.471  -2.560
  444    HG3  LYS  56           HG3      LYS  56  -7.399  11.073  -3.060
  445    HD2  LYS  56           HD2      LYS  56  -8.800  11.266  -1.058
  446    HD3  LYS  56           HD3      LYS  56  -7.779  12.548  -0.406
  447    HE2  LYS  56           HE2      LYS  56  -9.365  12.735  -3.018
  448    HE3  LYS  56           HE3      LYS  56  -9.964  13.301  -1.455
  449    HZ1  LYS  56           HZ1      LYS  56  -8.996  15.118  -2.696
  450    HZ2  LYS  56           HZ2      LYS  56  -7.558  14.362  -2.828
  451    HZ3  LYS  56           HZ3      LYS  56  -8.096  14.855  -1.363
  452    H    VAL  57           H        VAL  57  -5.084   8.033  -2.452
  453    HA   VAL  57           HA       VAL  57  -6.925   7.375  -4.571
  454    HB   VAL  57           HB       VAL  57  -4.289   6.042  -3.835
  455   HG11  VAL  57          HG11      VAL  57  -4.359   5.330  -6.302
  456   HG12  VAL  57          HG12      VAL  57  -5.466   4.464  -5.234
  457   HG13  VAL  57          HG13      VAL  57  -6.070   5.759  -6.299
  458   HG21  VAL  57          HG21      VAL  57  -4.149   8.470  -4.426
  459   HG22  VAL  57          HG22      VAL  57  -3.354   7.430  -5.611
  460   HG23  VAL  57          HG23      VAL  57  -4.956   8.121  -5.962
  461    H    LEU  58           H        LEU  58  -5.735   5.384  -1.795
  462    HA   LEU  58           HA       LEU  58  -7.278   3.073  -2.561
  463    HB2  LEU  58           HB2      LEU  58  -6.056   3.835   0.114
  464    HB3  LEU  58           HB3      LEU  58  -6.656   2.234  -0.320
  465    HG   LEU  58           HG       LEU  58  -4.306   3.650  -1.670
  466   HD11  LEU  58          HD11      LEU  58  -3.868   2.901   0.661
  467   HD12  LEU  58          HD12      LEU  58  -2.912   2.012  -0.542
  468   HD13  LEU  58          HD13      LEU  58  -4.339   1.260   0.188
  469   HD21  LEU  58          HD21      LEU  58  -5.492   0.914  -2.187
  470   HD22  LEU  58          HD22      LEU  58  -3.864   1.421  -2.697
  471   HD23  LEU  58          HD23      LEU  58  -5.270   2.275  -3.327
  472    H    LYS  59           H        LYS  59  -8.172   5.892  -0.602
  473    HA   LYS  59           HA       LYS  59 -10.716   4.697   0.236
  474    HB2  LYS  59           HB2      LYS  59  -9.601   7.527   0.302
  475    HB3  LYS  59           HB3      LYS  59 -11.200   7.083   0.924
  476    HG2  LYS  59           HG2      LYS  59 -10.221   5.475   2.483
  477    HG3  LYS  59           HG3      LYS  59  -8.601   5.796   1.883
  478    HD2  LYS  59           HD2      LYS  59  -8.872   8.224   2.547
  479    HD3  LYS  59           HD3      LYS  59 -10.411   7.783   3.319
  480    HE2  LYS  59           HE2      LYS  59  -9.161   6.100   4.710
  481    HE3  LYS  59           HE3      LYS  59  -7.650   6.632   3.971
  482    HZ1  LYS  59           HZ1      LYS  59  -8.040   8.838   4.944
  483    HZ2  LYS  59           HZ2      LYS  59  -8.033   7.689   6.116
  484    HZ3  LYS  59           HZ3      LYS  59  -9.447   8.341   5.613
  485    H    LYS  60           H        LYS  60  -9.755   6.844  -2.482
  486    HA   LYS  60           HA       LYS  60 -12.559   7.170  -3.311
  487    HB2  LYS  60           HB2      LYS  60  -9.900   8.061  -4.494
  488    HB3  LYS  60           HB3      LYS  60 -11.449   8.417  -5.239
  489    HG2  LYS  60           HG2      LYS  60 -10.688   9.301  -2.417
  490    HG3  LYS  60           HG3      LYS  60 -10.521  10.285  -3.873
  491    HD2  LYS  60           HD2      LYS  60 -12.989  10.089  -4.264
  492    HD3  LYS  60           HD3      LYS  60 -13.137   9.208  -2.727
  493    HE2  LYS  60           HE2      LYS  60 -12.170  11.149  -1.518
  494    HE3  LYS  60           HE3      LYS  60 -12.029  12.030  -3.048
  495    HZ1  LYS  60           HZ1      LYS  60 -14.450  11.919  -3.260
  496    HZ2  LYS  60           HZ2      LYS  60 -14.047  12.648  -1.855
  497    HZ3  LYS  60           HZ3      LYS  60 -14.584  11.106  -1.847
  498    H    ASP  61           H        ASP  61  -9.749   5.461  -4.776
  499    HA   ASP  61           HA       ASP  61 -11.471   4.489  -6.967
  500    HB2  ASP  61           HB2      ASP  61  -8.497   4.249  -6.386
  501    HB3  ASP  61           HB3      ASP  61  -9.289   3.504  -7.766
  502    H    PHE  62           H        PHE  62  -9.716   3.024  -4.202
  503    HA   PHE  62           HA       PHE  62 -10.757   0.332  -4.894
  504    HB2  PHE  62           HB2      PHE  62  -8.827   1.324  -2.768
  505    HB3  PHE  62           HB3      PHE  62  -9.378  -0.322  -2.886
  506    HD1  PHE  62           HD2      PHE  62  -7.489   2.327  -4.757
  507    HD2  PHE  62           HD1      PHE  62  -8.366  -1.873  -4.317
  508    HE1  PHE  62           HE2      PHE  62  -5.517   1.766  -6.141
  509    HE2  PHE  62           HE1      PHE  62  -6.381  -2.426  -5.690
  510    HZ   PHE  62           HZ       PHE  62  -4.942  -0.623  -6.589
  511    H    ALA  63           H        ALA  63 -11.879   2.969  -3.109
  512    HA   ALA  63           HA       ALA  63 -13.513   3.313  -1.574
  513    HB1  ALA  63           HB1      ALA  63 -14.524   0.574  -2.436
  514    HB2  ALA  63           HB2      ALA  63 -15.466   1.885  -1.708
  515    HB3  ALA  63           HB3      ALA  63 -14.781   2.092  -3.328
  516    H    CYS  64           H        CYS  64 -11.039   2.189  -0.510
  517    HA   CYS  64           HA       CYS  64 -11.867   0.381   1.703
  518    HB2  CYS  64           HB2      CYS  64  -9.170   1.372   0.661
  519    HB3  CYS  64           HB3      CYS  64  -9.355   0.347   2.090
  520    HG   CYS  64           HG       CYS  64 -10.642  -0.341  -0.888
  521    H    ASN  65           H        ASN  65 -10.348   1.054   3.768
  522    HA   ASN  65           HA       ASN  65 -10.512   3.957   4.307
  523    HB2  ASN  65           HB2      ASN  65 -12.631   3.000   5.181
  524    HB3  ASN  65           HB3      ASN  65 -11.713   1.839   6.144
  525   HD21  ASN  65          HD21      ASN  65 -12.508   5.311   5.753
  526   HD22  ASN  65          HD22      ASN  65 -11.968   5.767   7.359
  527    H    GLY  66           H        GLY  66  -8.925   4.656   5.855
  528    HA2  GLY  66           HA2      GLY  66  -7.046   2.846   7.084
  529    HA3  GLY  66           HA3      GLY  66  -6.437   3.408   5.547
  530    H    ASN  67           H        ASN  67  -4.915   3.899   7.506
  531    HA   ASN  67           HA       ASN  67  -4.825   6.784   7.822
  532    HB2  ASN  67           HB2      ASN  67  -5.065   7.014  10.134
  533    HB3  ASN  67           HB3      ASN  67  -6.420   6.001   9.666
  534   HD21  ASN  67          HD21      ASN  67  -5.911   3.481   9.893
  535   HD22  ASN  67          HD22      ASN  67  -4.945   3.041  11.297
  536    H    ILE  68           H        ILE  68  -2.848   7.515   9.035
  537    HA   ILE  68           HA       ILE  68  -0.522   5.701   8.501
  538    HB   ILE  68           HB       ILE  68  -0.675   8.713   8.892
  539   HG12  ILE  68          HG12      ILE  68   0.215   7.295   6.357
  540   HG13  ILE  68          HG13      ILE  68  -1.490   7.587   6.634
  541   HG21  ILE  68          HG21      ILE  68   1.743   8.694   8.203
  542   HG22  ILE  68          HG22      ILE  68   1.479   7.888   9.742
  543   HG23  ILE  68          HG23      ILE  68   1.727   6.922   8.269
  544   HD11  ILE  68          HD11      ILE  68  -0.615   9.382   5.294
  545   HD12  ILE  68          HD12      ILE  68  -1.076  10.019   6.879
  546   HD13  ILE  68          HD13      ILE  68   0.640   9.748   6.492
  547    H    VAL  69           H        VAL  69   0.729   4.978  10.141
  548    HA   VAL  69           HA       VAL  69   0.448   6.152  12.893
  549    HB   VAL  69           HB       VAL  69   0.581   3.176  12.234
  550   HG11  VAL  69          HG11      VAL  69   1.802   3.604  14.305
  551   HG12  VAL  69          HG12      VAL  69   0.465   4.599  14.928
  552   HG13  VAL  69          HG13      VAL  69   0.260   2.851  14.692
  553   HG21  VAL  69          HG21      VAL  69  -1.660   3.073  13.353
  554   HG22  VAL  69          HG22      VAL  69  -1.693   4.846  13.387
  555   HG23  VAL  69          HG23      VAL  69  -1.682   3.972  11.833
  556    H    LYS  70           H        LYS  70   2.370   6.404  13.948
  557    HA   LYS  70           HA       LYS  70   4.860   5.340  12.662
  558    HB2  LYS  70           HB2      LYS  70   4.668   7.792  12.822
  559    HB3  LYS  70           HB3      LYS  70   4.572   7.677  14.584
  560    HG2  LYS  70           HG2      LYS  70   6.804   6.692  14.704
  561    HG3  LYS  70           HG3      LYS  70   6.902   6.557  12.944
  562    HD2  LYS  70           HD2      LYS  70   6.690   9.201  14.455
  563    HD3  LYS  70           HD3      LYS  70   8.210   8.467  13.910
  564    HE2  LYS  70           HE2      LYS  70   7.393   8.503  11.558
  565    HE3  LYS  70           HE3      LYS  70   5.891   9.264  12.085
  566    HZ1  LYS  70           HZ1      LYS  70   8.584  10.470  12.335
  567    HZ2  LYS  70           HZ2      LYS  70   7.190  11.169  12.842
  568    HZ3  LYS  70           HZ3      LYS  70   7.433  10.886  11.250
  569    H    ASP  71           H        ASP  71   5.096   3.358  13.476
  570    HA   ASP  71           HA       ASP  71   4.329   2.664  16.206
  571    HB2  ASP  71           HB2      ASP  71   3.888   1.289  14.102
  572    HB3  ASP  71           HB3      ASP  71   5.613   0.998  14.036
  573    HA   PRO  72           HA       PRO  72   8.467   2.943  17.997
  574    HB2  PRO  72           HB2      PRO  72   7.663   0.444  19.491
  575    HB3  PRO  72           HB3      PRO  72   8.419   1.940  20.120
  576    HG2  PRO  72           HG2      PRO  72   5.771   1.492  20.450
  577    HG3  PRO  72           HG3      PRO  72   6.354   3.127  19.978
  578    HD2  PRO  72           HD2      PRO  72   5.165   0.967  18.234
  579    HD3  PRO  72           HD3      PRO  72   4.843   2.730  18.244
  580    H    GLU  73           H        GLU  73   7.333  -0.195  16.710
  581    HA   GLU  73           HA       GLU  73  10.166  -1.099  16.285
  582    HB2  GLU  73           HB2      GLU  73   7.576  -2.709  16.392
  583    HB3  GLU  73           HB3      GLU  73   9.205  -3.344  16.128
  584    HG2  GLU  73           HG2      GLU  73   9.856  -2.329  18.357
  585    HG3  GLU  73           HG3      GLU  73   8.147  -1.999  18.648
  586    H    MET  74           H        MET  74   6.951  -1.012  14.713
  587    HA   MET  74           HA       MET  74   8.015  -1.847  12.116
  588    HB2  MET  74           HB2      MET  74   5.252  -0.832  12.901
  589    HB3  MET  74           HB3      MET  74   5.682  -1.451  11.323
  590    HG2  MET  74           HG2      MET  74   6.331  -3.625  12.381
  591    HG3  MET  74           HG3      MET  74   5.798  -2.991  13.942
  592    HE1  MET  74           HE1      MET  74   4.829  -5.723  12.766
  593    HE2  MET  74           HE2      MET  74   4.237  -5.076  14.312
  594    HE3  MET  74           HE3      MET  74   3.087  -5.674  13.098
  595    H    GLY  75           H        GLY  75   7.795   1.260  13.612
  596    HA2  GLY  75           HA2      GLY  75   8.535   3.323  12.826
  597    HA3  GLY  75           HA3      GLY  75   8.906   2.576  11.261
  598    H    GLU  76           H        GLU  76   8.046   4.543  10.300
  599    HA   GLU  76           HA       GLU  76   5.278   5.227  10.578
  600    HB2  GLU  76           HB2      GLU  76   7.340   6.677   9.922
  601    HB3  GLU  76           HB3      GLU  76   7.055   6.067   8.281
  602    HG2  GLU  76           HG2      GLU  76   4.712   6.886   8.447
  603    HG3  GLU  76           HG3      GLU  76   5.032   7.442  10.092
  604    H    ILE  77           H        ILE  77   3.640   4.139   9.800
  605    HA   ILE  77           HA       ILE  77   3.768   2.590   7.256
  606    HB   ILE  77           HB       ILE  77   2.483   0.778   8.415
  607   HG12  ILE  77          HG12      ILE  77   3.416   2.082  11.009
  608   HG13  ILE  77          HG13      ILE  77   1.753   2.047  10.420
  609   HG21  ILE  77          HG21      ILE  77   5.274   1.088   9.550
  610   HG22  ILE  77          HG22      ILE  77   4.391  -0.410   9.148
  611   HG23  ILE  77          HG23      ILE  77   4.924   0.667   7.860
  612   HD11  ILE  77          HD11      ILE  77   3.415  -0.346  11.271
  613   HD12  ILE  77          HD12      ILE  77   2.014   0.353  12.098
  614   HD13  ILE  77          HD13      ILE  77   1.804  -0.447  10.528
  615    H    ILE  78           H        ILE  78   1.840   2.216   6.219
  616    HA   ILE  78           HA       ILE  78  -0.558   3.762   7.149
  617    HB   ILE  78           HB       ILE  78   0.128   2.506   4.473
  618   HG12  ILE  78          HG12      ILE  78  -0.506   5.422   5.044
  619   HG13  ILE  78          HG13      ILE  78   1.141   4.799   5.173
  620   HG21  ILE  78          HG21      ILE  78  -2.077   3.470   3.685
  621   HG22  ILE  78          HG22      ILE  78  -2.245   2.136   4.804
  622   HG23  ILE  78          HG23      ILE  78  -2.476   3.799   5.382
  623   HD11  ILE  78          HD11      ILE  78  -0.566   4.663   2.667
  624   HD12  ILE  78          HD12      ILE  78   0.777   5.762   2.961
  625   HD13  ILE  78          HD13      ILE  78   1.084   4.016   2.851
  626    H    GLN  79           H        GLN  79  -2.311   2.721   7.830
  627    HA   GLN  79           HA       GLN  79  -2.476  -0.269   7.740
  628    HB2  GLN  79           HB2      GLN  79  -3.843   1.813   9.492
  629    HB3  GLN  79           HB3      GLN  79  -4.220   0.090   9.507
  630    HG2  GLN  79           HG2      GLN  79  -1.984  -0.439  10.335
  631    HG3  GLN  79           HG3      GLN  79  -1.493   1.256  10.245
  632   HE21  GLN  79          HE21      GLN  79  -1.383  -0.308  12.676
  633   HE22  GLN  79          HE22      GLN  79  -2.539   0.423  13.779
  634    H    LEU  80           H        LEU  80  -4.049  -1.048   6.382
  635    HA   LEU  80           HA       LEU  80  -6.338   0.712   5.606
  636    HB2  LEU  80           HB2      LEU  80  -4.481  -0.286   3.859
  637    HB3  LEU  80           HB3      LEU  80  -5.545  -1.689   3.968
  638    HG   LEU  80           HG       LEU  80  -7.462  -0.238   3.245
  639   HD11  LEU  80          HD11      LEU  80  -6.562   1.998   3.905
  640   HD12  LEU  80          HD12      LEU  80  -6.946   1.955   2.185
  641   HD13  LEU  80          HD13      LEU  80  -5.256   1.826   2.725
  642   HD21  LEU  80          HD21      LEU  80  -5.012  -0.382   1.424
  643   HD22  LEU  80          HD22      LEU  80  -6.667  -0.084   0.845
  644   HD23  LEU  80          HD23      LEU  80  -6.238  -1.617   1.606
  645    H    GLN  81           H        GLN  81  -8.429  -0.208   5.905
  646    HA   GLN  81           HA       GLN  81  -8.562  -2.337   7.866
  647    HB2  GLN  81           HB2      GLN  81 -10.705  -0.805   6.342
  648    HB3  GLN  81           HB3      GLN  81 -11.072  -2.127   7.446
  649    HG2  GLN  81           HG2      GLN  81  -9.680  -0.843   9.221
  650    HG3  GLN  81           HG3      GLN  81  -9.771   0.534   8.125
  651   HE21  GLN  81          HE21      GLN  81 -11.509   1.936   8.668
  652   HE22  GLN  81          HE22      GLN  81 -13.000   1.366   9.397
  653    H    GLY  82           H        GLY  82  -8.923  -4.469   7.717
  654    HA2  GLY  82           HA2      GLY  82  -9.593  -6.507   6.805
  655    HA3  GLY  82           HA3      GLY  82  -9.945  -5.731   5.256
  656    H    ASP  83           H        ASP  83  -8.919  -7.692   4.468
  657    HA   ASP  83           HA       ASP  83  -5.929  -7.693   4.435
  658    HB2  ASP  83           HB2      ASP  83  -6.933  -9.788   5.106
  659    HB3  ASP  83           HB3      ASP  83  -7.986  -9.798   3.688
  660    H    GLN  84           H        GLN  84  -5.369  -6.169   2.945
  661    HA   GLN  84           HA       GLN  84  -6.587  -6.237   0.225
  662    HB2  GLN  84           HB2      GLN  84  -5.481  -3.802   1.618
  663    HB3  GLN  84           HB3      GLN  84  -6.546  -3.855   0.217
  664    HG2  GLN  84           HG2      GLN  84  -7.266  -4.425   3.126
  665    HG3  GLN  84           HG3      GLN  84  -7.766  -3.051   2.177
  666   HE21  GLN  84          HE21      GLN  84  -9.671  -4.368   3.504
  667   HE22  GLN  84          HE22      GLN  84 -10.666  -5.325   2.401
  668    H    ARG  85           H        ARG  85  -4.109  -7.613   1.205
  669    HA   ARG  85           HA       ARG  85  -1.874  -6.170   0.410
  670    HB2  ARG  85           HB2      ARG  85  -0.649  -8.301   0.531
  671    HB3  ARG  85           HB3      ARG  85  -1.732  -8.019   1.893
  672    HG2  ARG  85           HG2      ARG  85  -3.452  -9.487   0.636
  673    HG3  ARG  85           HG3      ARG  85  -2.122  -9.980  -0.407
  674    HD2  ARG  85           HD2      ARG  85  -1.073 -11.188   1.299
  675    HD3  ARG  85           HD3      ARG  85  -1.702 -10.145   2.572
  676    HE   ARG  85           HE       ARG  85  -3.911 -11.098   2.263
  677   HH11  ARG  85          HH11      ARG  85  -1.263 -13.190   1.134
  678   HH12  ARG  85          HH12      ARG  85  -2.214 -14.625   1.366
  679   HH21  ARG  85          HH21      ARG  85  -5.025 -12.891   2.519
  680   HH22  ARG  85          HH22      ARG  85  -4.356 -14.469   2.144
  681    H    ALA  86           H        ALA  86  -3.711  -8.435  -1.643
  682    HA   ALA  86           HA       ALA  86  -2.027  -8.134  -3.972
  683    HB1  ALA  86           HB1      ALA  86  -3.592 -10.018  -3.631
  684    HB2  ALA  86           HB2      ALA  86  -4.977  -8.902  -3.696
  685    HB3  ALA  86           HB3      ALA  86  -3.961  -9.152  -5.134
  686    H    LYS  87           H        LYS  87  -4.918  -6.376  -2.825
  687    HA   LYS  87           HA       LYS  87  -5.252  -4.670  -5.106
  688    HB2  LYS  87           HB2      LYS  87  -6.021  -4.303  -2.175
  689    HB3  LYS  87           HB3      LYS  87  -6.564  -3.269  -3.481
  690    HG2  LYS  87           HG2      LYS  87  -7.680  -5.217  -4.576
  691    HG3  LYS  87           HG3      LYS  87  -7.139  -6.250  -3.234
  692    HD2  LYS  87           HD2      LYS  87  -8.307  -4.629  -1.661
  693    HD3  LYS  87           HD3      LYS  87  -9.046  -3.877  -3.080
  694    HE2  LYS  87           HE2      LYS  87 -10.170  -5.952  -3.681
  695    HE3  LYS  87           HE3      LYS  87  -9.244  -6.858  -2.474
  696    HZ1  LYS  87           HZ1      LYS  87 -10.313  -5.558  -0.741
  697    HZ2  LYS  87           HZ2      LYS  87 -11.440  -6.359  -1.628
  698    HZ3  LYS  87           HZ3      LYS  87 -11.225  -4.748  -1.840
  699    H    VAL  88           H        VAL  88  -3.538  -4.079  -1.997
  700    HA   VAL  88           HA       VAL  88  -2.576  -1.495  -2.839
  701    HB   VAL  88           HB       VAL  88  -1.588  -3.326  -0.630
  702   HG11  VAL  88          HG11      VAL  88  -0.844  -0.408  -1.183
  703   HG12  VAL  88          HG12      VAL  88  -0.452  -1.315   0.291
  704   HG13  VAL  88          HG13      VAL  88   0.269  -1.794  -1.235
  705   HG21  VAL  88          HG21      VAL  88  -2.802  -1.684   0.807
  706   HG22  VAL  88          HG22      VAL  88  -3.315  -0.803  -0.652
  707   HG23  VAL  88          HG23      VAL  88  -3.902  -2.442  -0.353
  708    H    CYS  89           H        CYS  89  -1.097  -4.776  -3.153
  709    HA   CYS  89           HA       CYS  89   1.369  -3.944  -4.308
  710    HB2  CYS  89           HB2      CYS  89   0.779  -6.247  -3.576
  711    HB3  CYS  89           HB3      CYS  89  -0.363  -6.392  -4.917
  712    HG   CYS  89           HG       CYS  89   2.909  -5.789  -5.089
  713    H    GLU  90           H        GLU  90  -1.751  -4.665  -5.960
  714    HA   GLU  90           HA       GLU  90  -0.963  -3.877  -8.545
  715    HB2  GLU  90           HB2      GLU  90  -3.008  -5.159  -7.895
  716    HB3  GLU  90           HB3      GLU  90  -3.743  -3.655  -7.318
  717    HG2  GLU  90           HG2      GLU  90  -3.612  -2.697  -9.573
  718    HG3  GLU  90           HG3      GLU  90  -2.730  -4.119 -10.148
  719    H    PHE  91           H        PHE  91  -2.217  -1.783  -5.859
  720    HA   PHE  91           HA       PHE  91  -2.461   0.624  -7.378
  721    HB2  PHE  91           HB2      PHE  91  -3.455   0.596  -5.228
  722    HB3  PHE  91           HB3      PHE  91  -2.031  -0.056  -4.463
  723    HD1  PHE  91           HD1      PHE  91  -3.187   3.020  -6.277
  724    HD2  PHE  91           HD2      PHE  91  -0.521   1.326  -3.359
  725    HE1  PHE  91           HE1      PHE  91  -2.286   5.292  -5.764
  726    HE2  PHE  91           HE2      PHE  91   0.319   3.596  -2.803
  727    HZ   PHE  91           HZ       PHE  91  -0.615   5.590  -3.999
  728    H    MET  92           H        MET  92   0.302  -0.654  -5.484
  729    HA   MET  92           HA       MET  92   2.116   1.494  -5.955
  730    HB2  MET  92           HB2      MET  92   2.602  -1.462  -5.467
  731    HB3  MET  92           HB3      MET  92   3.862  -0.238  -5.363
  732    HG2  MET  92           HG2      MET  92   1.341  -0.093  -3.685
  733    HG3  MET  92           HG3      MET  92   2.719  -1.064  -3.194
  734    HE1  MET  92           HE1      MET  92   2.318   2.086  -0.830
  735    HE2  MET  92           HE2      MET  92   0.989   1.511  -1.851
  736    HE3  MET  92           HE3      MET  92   2.021   0.340  -1.010
  737    H    ILE  93           H        ILE  93   1.422  -1.431  -7.894
  738    HA   ILE  93           HA       ILE  93   3.549  -0.866  -9.828
  739    HB   ILE  93           HB       ILE  93   1.224  -2.823  -9.941
  740   HG12  ILE  93          HG12      ILE  93   4.157  -3.443  -9.345
  741   HG13  ILE  93          HG13      ILE  93   2.997  -3.122  -8.072
  742   HG21  ILE  93          HG21      ILE  93   2.119  -2.341 -12.212
  743   HG22  ILE  93          HG22      ILE  93   3.768  -2.681 -11.635
  744   HG23  ILE  93          HG23      ILE  93   2.555  -3.969 -11.715
  745   HD11  ILE  93          HD11      ILE  93   3.179  -5.487  -8.315
  746   HD12  ILE  93          HD12      ILE  93   1.570  -5.001  -8.872
  747   HD13  ILE  93          HD13      ILE  93   2.840  -5.415 -10.050
  748    H    SER  94           H        SER  94  -0.040  -0.627  -9.991
  749    HA   SER  94           HA       SER  94   0.110   0.403 -12.700
  750    HB2  SER  94           HB2      SER  94  -2.181   0.010 -10.752
  751    HB3  SER  94           HB3      SER  94  -2.376   0.519 -12.442
  752    HG   SER  94           HG       SER  94  -2.597  -1.759 -12.223
  753    H    GLN  95           H        GLN  95  -0.277   2.031  -9.543
  754    HA   GLN  95           HA       GLN  95  -0.949   4.579 -10.979
  755    HB2  GLN  95           HB2      GLN  95  -1.140   3.940  -8.013
  756    HB3  GLN  95           HB3      GLN  95  -1.656   5.419  -8.806
  757    HG2  GLN  95           HG2      GLN  95  -2.865   2.647  -9.184
  758    HG3  GLN  95           HG3      GLN  95  -3.587   4.001  -8.328
  759   HE21  GLN  95          HE21      GLN  95  -4.706   2.490 -10.647
  760   HE22  GLN  95          HE22      GLN  95  -4.957   3.714 -11.881
  761    H    LEU  96           H        LEU  96   1.402   3.298  -8.533
  762    HA   LEU  96           HA       LEU  96   2.888   5.848  -8.681
  763    HB2  LEU  96           HB2      LEU  96   3.691   3.331  -7.183
  764    HB3  LEU  96           HB3      LEU  96   4.296   4.950  -6.973
  765    HG   LEU  96           HG       LEU  96   1.504   3.985  -6.236
  766   HD11  LEU  96          HD11      LEU  96   3.833   5.023  -4.564
  767   HD12  LEU  96          HD12      LEU  96   3.321   3.334  -4.722
  768   HD13  LEU  96          HD13      LEU  96   2.250   4.508  -3.948
  769   HD21  LEU  96          HD21      LEU  96   1.226   6.270  -7.023
  770   HD22  LEU  96          HD22      LEU  96   2.667   6.804  -6.136
  771   HD23  LEU  96          HD23      LEU  96   1.214   6.299  -5.257
  772    H    GLY  97           H        GLY  97   3.022   2.793 -10.301
  773    HA2  GLY  97           HA2      GLY  97   4.319   2.209 -12.148
  774    HA3  GLY  97           HA3      GLY  97   5.314   3.666 -11.918
  775    H    LEU  98           H        LEU  98   4.918   1.645  -9.105
  776    HA   LEU  98           HA       LEU  98   7.769   1.116  -9.021
  777    HB2  LEU  98           HB2      LEU  98   5.462   0.273  -7.236
  778    HB3  LEU  98           HB3      LEU  98   7.127  -0.163  -6.909
  779    HG   LEU  98           HG       LEU  98   6.274   2.750  -7.234
  780   HD11  LEU  98          HD11      LEU  98   4.979   1.811  -5.401
  781   HD12  LEU  98          HD12      LEU  98   6.236   2.880  -4.769
  782   HD13  LEU  98          HD13      LEU  98   6.440   1.117  -4.672
  783   HD21  LEU  98          HD21      LEU  98   8.365   3.140  -5.922
  784   HD22  LEU  98          HD22      LEU  98   8.694   2.363  -7.470
  785   HD23  LEU  98          HD23      LEU  98   8.714   1.405  -5.973
  786    H    GLN  99           H        GLN  99   8.852  -0.861  -9.162
  787    HA   GLN  99           HA       GLN  99   7.772  -2.646 -11.164
  788    HB2  GLN  99           HB2      GLN  99  10.326  -2.856  -9.505
  789    HB3  GLN  99           HB3      GLN  99   9.917  -3.833 -10.906
  790    HG2  GLN  99           HG2      GLN  99  11.385  -2.231 -11.761
  791    HG3  GLN  99           HG3      GLN  99   9.799  -1.681 -12.274
  792   HE21  GLN  99          HE21      GLN  99  11.284   0.358 -12.571
  793   HE22  GLN  99          HE22      GLN  99  11.372   1.420 -11.174
  794    H    LYS 100           H        LYS 100   7.034  -4.749 -11.007
  795    HA   LYS 100           HA       LYS 100   5.660  -5.593  -8.739
  796    HB2  LYS 100           HB2      LYS 100   5.200  -6.435 -10.966
  797    HB3  LYS 100           HB3      LYS 100   6.809  -7.135 -11.101
  798    HG2  LYS 100           HG2      LYS 100   5.186  -8.882 -10.759
  799    HG3  LYS 100           HG3      LYS 100   6.274  -8.814  -9.379
  800    HD2  LYS 100           HD2      LYS 100   4.510  -7.581  -8.081
  801    HD3  LYS 100           HD3      LYS 100   3.436  -7.699  -9.498
  802    HE2  LYS 100           HE2      LYS 100   3.589 -10.177  -9.394
  803    HE3  LYS 100           HE3      LYS 100   4.645 -10.055  -7.981
  804    HZ1  LYS 100           HZ1      LYS 100   1.837  -9.094  -8.095
  805    HZ2  LYS 100           HZ2      LYS 100   2.814  -8.986  -6.785
  806    HZ3  LYS 100           HZ3      LYS 100   2.344 -10.451  -7.338
  807    H    LYS 101           H        LYS 101   8.967  -6.574  -9.717
  808    HA   LYS 101           HA       LYS 101   9.386  -8.491  -7.655
  809    HB2  LYS 101           HB2      LYS 101  11.590  -8.611  -8.430
  810    HB3  LYS 101           HB3      LYS 101  10.664  -8.148  -9.856
  811    HG2  LYS 101           HG2      LYS 101  11.338  -5.726  -9.368
  812    HG3  LYS 101           HG3      LYS 101  12.392  -6.363  -8.087
  813    HD2  LYS 101           HD2      LYS 101  13.455  -7.831  -9.926
  814    HD3  LYS 101           HD3      LYS 101  12.637  -6.773 -11.081
  815    HE2  LYS 101           HE2      LYS 101  14.684  -5.994  -8.947
  816    HE3  LYS 101           HE3      LYS 101  14.946  -6.027 -10.691
  817    HZ1  LYS 101           HZ1      LYS 101  14.554  -3.783  -9.941
  818    HZ2  LYS 101           HZ2      LYS 101  13.130  -4.174  -9.238
  819    HZ3  LYS 101           HZ3      LYS 101  13.292  -4.227 -10.879
  820    H    ASN 102           H        ASN 102   9.560  -5.004  -7.460
  821    HA   ASN 102           HA       ASN 102  11.255  -4.905  -5.085
  822    HB2  ASN 102           HB2      ASN 102   9.559  -2.794  -6.487
  823    HB3  ASN 102           HB3      ASN 102  10.546  -2.500  -5.072
  824   HD21  ASN 102          HD21      ASN 102  11.936  -1.020  -6.006
  825   HD22  ASN 102          HD22      ASN 102  13.051  -1.450  -7.291
  826    H    ILE 103           H        ILE 103   8.011  -5.866  -5.464
  827    HA   ILE 103           HA       ILE 103   7.220  -4.838  -2.765
  828    HB   ILE 103           HB       ILE 103   5.467  -5.973  -4.963
  829   HG12  ILE 103          HG12      ILE 103   5.683  -3.050  -4.085
  830   HG13  ILE 103          HG13      ILE 103   6.552  -3.686  -5.481
  831   HG21  ILE 103          HG21      ILE 103   4.830  -4.619  -2.287
  832   HG22  ILE 103          HG22      ILE 103   3.617  -5.042  -3.507
  833   HG23  ILE 103          HG23      ILE 103   4.518  -6.316  -2.708
  834   HD11  ILE 103          HD11      ILE 103   4.579  -2.655  -6.281
  835   HD12  ILE 103          HD12      ILE 103   4.415  -4.410  -6.497
  836   HD13  ILE 103          HD13      ILE 103   3.549  -3.586  -5.177
  837    H    LYS 104           H        LYS 104   7.013  -6.127  -1.141
  838    HA   LYS 104           HA       LYS 104   7.077  -9.109  -1.453
  839    HB2  LYS 104           HB2      LYS 104   7.864  -7.328   0.893
  840    HB3  LYS 104           HB3      LYS 104   7.889  -9.091   0.894
  841    HG2  LYS 104           HG2      LYS 104   9.660  -7.291  -0.810
  842    HG3  LYS 104           HG3      LYS 104  10.115  -8.123   0.678
  843    HD2  LYS 104           HD2      LYS 104   9.512 -10.323  -0.504
  844    HD3  LYS 104           HD3      LYS 104   9.426  -9.374  -2.008
  845    HE2  LYS 104           HE2      LYS 104  11.767  -8.563  -1.559
  846    HE3  LYS 104           HE3      LYS 104  11.821  -9.588  -0.121
  847    HZ1  LYS 104           HZ1      LYS 104  12.855 -10.672  -2.029
  848    HZ2  LYS 104           HZ2      LYS 104  11.481 -10.573  -2.905
  849    HZ3  LYS 104           HZ3      LYS 104  11.538 -11.523  -1.572
  850    H    ILE 105           H        ILE 105   5.275 -10.167  -0.887
  851    HA   ILE 105           HA       ILE 105   3.260  -8.878   0.941
  852    HB   ILE 105           HB       ILE 105   2.869 -10.990  -1.219
  853   HG12  ILE 105          HG12      ILE 105   1.733  -8.165  -0.891
  854   HG13  ILE 105          HG13      ILE 105   2.995  -8.635  -2.030
  855   HG21  ILE 105          HG21      ILE 105   1.540 -11.594   0.754
  856   HG22  ILE 105          HG22      ILE 105   0.941  -9.931   0.894
  857   HG23  ILE 105          HG23      ILE 105   0.474 -10.964  -0.482
  858   HD11  ILE 105          HD11      ILE 105   0.978  -8.505  -3.275
  859   HD12  ILE 105          HD12      ILE 105   1.347 -10.229  -3.106
  860   HD13  ILE 105          HD13      ILE 105   0.078  -9.474  -2.107
  861    H    HIS 106           H        HIS 106   3.398  -9.611   2.933
  862    HA   HIS 106           HA       HIS 106   4.802 -12.202   3.465
  863    HB2  HIS 106           HB2      HIS 106   4.153  -9.838   5.251
  864    HB3  HIS 106           HB3      HIS 106   5.073 -11.254   5.726
  865    HD2  HIS 106           HD2      HIS 106   5.420  -8.112   3.482
  866    HE1  HIS 106           HE1      HIS 106   9.323  -9.713   4.051
  867    HE2  HIS 106           HE2      HIS 106   8.007  -7.739   3.145
  868    H    GLY 107           H        GLY 107   1.640 -10.713   3.893
  869    HA2  GLY 107           HA2      GLY 107  -0.378 -11.589   4.752
  870    HA3  GLY 107           HA3      GLY 107   0.440 -13.134   5.058
  871    H    PHE 108           H        PHE 108  -0.436 -13.312   7.141
  872    HA   PHE 108           HA       PHE 108   0.058 -11.388   9.290
  873    HB2  PHE 108           HB2      PHE 108  -0.676 -14.339   9.335
  874    HB3  PHE 108           HB3      PHE 108  -0.556 -13.315  10.749
  875    HD1  PHE 108           HD2      PHE 108  -2.169 -11.437  11.131
  876    HD2  PHE 108           HD1      PHE 108  -2.664 -14.280   7.923
  877    HE1  PHE 108           HE2      PHE 108  -4.578 -10.840  10.962
  878    HE2  PHE 108           HE1      PHE 108  -5.063 -13.667   7.751
  879    HZ   PHE 108           HZ       PHE 108  -6.026 -11.961   9.284
  Start of MODEL    8
    1    H1   MET   1           H        MET   1  12.159 -32.230  46.087
    2    H2   MET   1           H2       MET   1  12.325 -30.706  45.519
    3    H3   MET   1           H3       MET   1  11.662 -31.850  44.587
    4    HA   MET   1           HA       MET   1   9.720 -32.038  46.027
    5    HB2  MET   1           HB2      MET   1  10.999 -31.486  48.094
    6    HB3  MET   1           HB3      MET   1  10.997 -29.787  47.627
    7    HG2  MET   1           HG2      MET   1   9.258 -30.380  49.308
    8    HG3  MET   1           HG3      MET   1   8.610 -29.637  47.865
    9    HE1  MET   1           HE1      MET   1   8.128 -34.088  49.078
   10    HE2  MET   1           HE2      MET   1   9.701 -33.445  48.569
   11    HE3  MET   1           HE3      MET   1   8.925 -32.832  50.048
   12    H    SER   2           H        SER   2   7.815 -30.737  45.743
   13    HA   SER   2           HA       SER   2   8.006 -28.833  43.496
   14    HB2  SER   2           HB2      SER   2   6.282 -30.684  43.716
   15    HB3  SER   2           HB3      SER   2   5.511 -29.702  44.977
   16    HG   SER   2           HG       SER   2   4.652 -29.342  42.830
   17    H    ILE   3           H        ILE   3   6.231 -26.980  43.739
   18    HA   ILE   3           HA       ILE   3   6.688 -25.373  46.188
   19    HB   ILE   3           HB       ILE   3   7.430 -23.434  44.996
   20   HG12  ILE   3          HG12      ILE   3   6.440 -23.654  42.805
   21   HG13  ILE   3          HG13      ILE   3   8.153 -23.314  42.722
   22   HG21  ILE   3          HG21      ILE   3   9.129 -24.911  45.916
   23   HG22  ILE   3          HG22      ILE   3   9.276 -25.757  44.363
   24   HG23  ILE   3          HG23      ILE   3   9.718 -24.045  44.489
   25   HD11  ILE   3          HD11      ILE   3   7.598 -24.856  40.979
   26   HD12  ILE   3          HD12      ILE   3   8.573 -25.740  42.160
   27   HD13  ILE   3          HD13      ILE   3   6.806 -25.968  42.094
   28    H    GLU   4           H        GLU   4   5.357 -23.456  46.326
   29    HA   GLU   4           HA       GLU   4   2.655 -23.848  45.291
   30    HB2  GLU   4           HB2      GLU   4   2.042 -21.982  46.675
   31    HB3  GLU   4           HB3      GLU   4   3.042 -23.106  47.591
   32    HG2  GLU   4           HG2      GLU   4   5.022 -21.591  47.215
   33    HG3  GLU   4           HG3      GLU   4   3.952 -20.448  46.396
   34    H    ASN   5           H        ASN   5   1.430 -22.044  44.274
   35    HA   ASN   5           HA       ASN   5   2.595 -21.245  41.816
   36    HB2  ASN   5           HB2      ASN   5   0.183 -21.624  42.176
   37    HB3  ASN   5           HB3      ASN   5   0.103 -20.205  43.228
   38   HD21  ASN   5          HD21      ASN   5   0.791 -21.257  39.848
   39   HD22  ASN   5          HD22      ASN   5   0.402 -19.703  39.136
   40    H    LEU   6           H        LEU   6   3.488 -19.391  41.056
   41    HA   LEU   6           HA       LEU   6   3.674 -16.919  42.611
   42    HB2  LEU   6           HB2      LEU   6   5.435 -18.417  43.582
   43    HB3  LEU   6           HB3      LEU   6   6.122 -18.632  41.978
   44    HG   LEU   6           HG       LEU   6   6.728 -16.224  41.905
   45   HD11  LEU   6          HD11      LEU   6   4.991 -15.249  43.369
   46   HD12  LEU   6          HD12      LEU   6   6.599 -14.866  43.990
   47   HD13  LEU   6          HD13      LEU   6   5.639 -16.149  44.760
   48   HD21  LEU   6          HD21      LEU   6   7.690 -17.679  44.404
   49   HD22  LEU   6          HD22      LEU   6   8.525 -16.345  43.578
   50   HD23  LEU   6          HD23      LEU   6   8.321 -17.900  42.757
   51    H    LYS   7           H        LYS   7   4.420 -15.159  41.388
   52    HA   LYS   7           HA       LYS   7   5.203 -15.407  38.591
   53    HB2  LYS   7           HB2      LYS   7   3.284 -14.220  37.661
   54    HB3  LYS   7           HB3      LYS   7   2.776 -15.729  38.405
   55    HG2  LYS   7           HG2      LYS   7   1.996 -14.478  40.421
   56    HG3  LYS   7           HG3      LYS   7   2.504 -12.957  39.661
   57    HD2  LYS   7           HD2      LYS   7   0.919 -13.360  37.794
   58    HD3  LYS   7           HD3      LYS   7   0.411 -14.884  38.558
   59    HE2  LYS   7           HE2      LYS   7  -0.328 -13.625  40.572
   60    HE3  LYS   7           HE3      LYS   7   0.179 -12.108  39.816
   61    HZ1  LYS   7           HZ1      LYS   7  -1.472 -12.504  38.071
   62    HZ2  LYS   7           HZ2      LYS   7  -2.195 -12.484  39.535
   63    HZ3  LYS   7           HZ3      LYS   7  -1.941 -13.905  38.773
   64    H    SER   8           H        SER   8   5.459 -13.188  37.560
   65    HA   SER   8           HA       SER   8   5.749 -10.860  39.265
   66    HB2  SER   8           HB2      SER   8   7.770 -12.325  39.859
   67    HB3  SER   8           HB3      SER   8   8.345 -12.026  38.210
   68    HG   SER   8           HG       SER   8   9.168 -10.510  39.778
   69    H    PHE   9           H        PHE   9   7.000  -9.101  38.010
   70    HA   PHE   9           HA       PHE   9   5.828  -8.904  35.303
   71    HB2  PHE   9           HB2      PHE   9   6.267  -6.526  35.535
   72    HB3  PHE   9           HB3      PHE   9   5.370  -7.135  36.905
   73    HD1  PHE   9           HD2      PHE   9   6.472  -7.369  39.157
   74    HD2  PHE   9           HD1      PHE   9   8.480  -5.556  35.799
   75    HE1  PHE   9           HE2      PHE   9   8.148  -6.375  40.693
   76    HE2  PHE   9           HE1      PHE   9  10.155  -4.564  37.337
   77    HZ   PHE   9           HZ       PHE   9   9.994  -4.973  39.787
   78    H    ASP  10           H        ASP  10   7.240  -7.508  33.745
   79    HA   ASP  10           HA       ASP  10   9.302  -9.192  32.816
   80    HB2  ASP  10           HB2      ASP  10   8.600  -6.329  32.064
   81    HB3  ASP  10           HB3      ASP  10   9.723  -7.343  31.165
   82    HA   PRO  11           HA       PRO  11  12.861  -7.807  35.024
   83    HB2  PRO  11           HB2      PRO  11  14.923  -8.701  33.476
   84    HB3  PRO  11           HB3      PRO  11  13.791  -9.803  34.312
   85    HG2  PRO  11           HG2      PRO  11  13.663  -8.867  31.423
   86    HG3  PRO  11           HG3      PRO  11  13.580 -10.547  32.043
   87    HD2  PRO  11           HD2      PRO  11  11.334  -9.123  31.468
   88    HD3  PRO  11           HD3      PRO  11  11.392 -10.228  32.877
   89    H    PHE  12           H        PHE  12  12.365  -6.555  31.762
   90    HA   PHE  12           HA       PHE  12  13.313  -3.964  32.287
   91    HB2  PHE  12           HB2      PHE  12  15.224  -3.912  30.699
   92    HB3  PHE  12           HB3      PHE  12  15.564  -4.834  32.136
   93    HD1  PHE  12           HD1      PHE  12  14.795  -5.098  28.494
   94    HD2  PHE  12           HD2      PHE  12  16.112  -7.183  32.032
   95    HE1  PHE  12           HE1      PHE  12  15.486  -7.031  27.100
   96    HE2  PHE  12           HE2      PHE  12  16.806  -9.115  30.635
   97    HZ   PHE  12           HZ       PHE  12  16.491  -9.043  28.167
   98    H    ALA  13           H        ALA  13  13.194  -2.656  30.369
   99    HA   ALA  13           HA       ALA  13  11.971  -3.636  27.909
  100    HB1  ALA  13           HB1      ALA  13   9.967  -2.183  28.081
  101    HB2  ALA  13           HB2      ALA  13   9.978  -3.405  29.364
  102    HB3  ALA  13           HB3      ALA  13  10.433  -1.725  29.732
  103    H    ASP  14           H        ASP  14  11.901  -2.024  26.243
  104    HA   ASP  14           HA       ASP  14  13.143   0.570  26.468
  105    HB2  ASP  14           HB2      ASP  14  15.224   0.117  25.346
  106    HB3  ASP  14           HB3      ASP  14  15.155  -0.849  26.801
  107    H    THR  15           H        THR  15  13.734   1.415  24.210
  108    HA   THR  15           HA       THR  15  12.458   0.268  21.890
  109    HB   THR  15           HB       THR  15  10.484   1.172  23.120
  110    HG1  THR  15           HG1      THR  15   9.699   2.186  21.247
  111   HG21  THR  15          HG21      THR  15  10.067   3.567  23.177
  112   HG22  THR  15          HG22      THR  15  11.658   3.916  22.468
  113   HG23  THR  15          HG23      THR  15  11.535   3.221  24.102
  114    H    GLY  16           H        GLY  16  12.723   1.618  19.988
  115    HA2  GLY  16           HA2      GLY  16  15.276   3.207  20.073
  116    HA3  GLY  16           HA3      GLY  16  14.712   2.220  18.716
  117    H    ASP  17           H        ASP  17  15.380   4.360  17.758
  118    HA   ASP  17           HA       ASP  17  12.964   5.745  16.901
  119    HB2  ASP  17           HB2      ASP  17  13.541   7.078  18.894
  120    HB3  ASP  17           HB3      ASP  17  15.186   7.290  18.297
  121    H    ASP  18           H        ASP  18  13.119   6.245  14.803
  122    HA   ASP  18           HA       ASP  18  15.483   6.909  13.323
  123    HB2  ASP  18           HB2      ASP  18  15.836   4.408  13.752
  124    HB3  ASP  18           HB3      ASP  18  14.366   4.114  12.835
  125    H    GLU  19           H        GLU  19  14.948   7.034  10.914
  126    HA   GLU  19           HA       GLU  19  12.245   8.039  10.499
  127    HB2  GLU  19           HB2      GLU  19  12.990   8.668   8.313
  128    HB3  GLU  19           HB3      GLU  19  14.198   9.129   9.508
  129    HG2  GLU  19           HG2      GLU  19  15.530   7.073   8.871
  130    HG3  GLU  19           HG3      GLU  19  14.340   6.754   7.603
  131    H    THR  20           H        THR  20  13.856   4.999   9.870
  132    HA   THR  20           HA       THR  20  13.218   2.966   9.265
  133    HB   THR  20           HB       THR  20  10.982   2.186   9.755
  134    HG1  THR  20           HG1      THR  20  10.453   4.909   9.588
  135   HG21  THR  20          HG21      THR  20  10.913   2.761  12.106
  136   HG22  THR  20          HG22      THR  20  11.879   4.218  11.836
  137   HG23  THR  20          HG23      THR  20  12.602   2.612  11.607
  138    H    ALA  21           H        ALA  21  11.764   5.391   7.292
  139    HA   ALA  21           HA       ALA  21  10.678   3.673   5.279
  140    HB1  ALA  21           HB1      ALA  21  11.617   6.575   5.123
  141    HB2  ALA  21           HB2      ALA  21  10.498   5.773   4.003
  142    HB3  ALA  21           HB3      ALA  21  10.019   6.030   5.690
  143    H    THR  22           H        THR  22  13.803   3.572   6.040
  144    HA   THR  22           HA       THR  22  15.215   4.090   3.573
  145    HB   THR  22           HB       THR  22  17.121   3.029   4.859
  146    HG1  THR  22           HG1      THR  22  16.686   2.556   7.036
  147   HG21  THR  22          HG21      THR  22  17.327   4.841   6.486
  148   HG22  THR  22          HG22      THR  22  15.594   5.203   6.360
  149   HG23  THR  22          HG23      THR  22  16.665   5.472   4.970
  150    H    SER  23           H        SER  23  13.404   1.342   4.530
  151    HA   SER  23           HA       SER  23  14.872  -0.812   3.603
  152    HB2  SER  23           HB2      SER  23  11.872  -0.407   3.330
  153    HB3  SER  23           HB3      SER  23  12.728  -1.959   3.304
  154    HG   SER  23           HG       SER  23  11.886  -1.489   5.401
  155    H    ASN  24           H        ASN  24  15.345  -1.825   1.705
  156    HA   ASN  24           HA       ASN  24  15.114  -0.376  -0.782
  157    HB2  ASN  24           HB2      ASN  24  16.055  -3.210  -0.164
  158    HB3  ASN  24           HB3      ASN  24  16.253  -2.390  -1.712
  159   HD21  ASN  24          HD21      ASN  24  17.559  -0.319  -1.726
  160   HD22  ASN  24          HD22      ASN  24  18.857  -0.187  -0.554
  161    H    TYR  25           H        TYR  25  13.001  -2.624   0.748
  162    HA   TYR  25           HA       TYR  25  11.417  -3.031  -1.766
  163    HB2  TYR  25           HB2      TYR  25  11.683  -4.801   0.695
  164    HB3  TYR  25           HB3      TYR  25  10.485  -5.030  -0.564
  165    HD1  TYR  25           HD2      TYR  25  11.147  -5.674  -2.867
  166    HD2  TYR  25           HD1      TYR  25  13.959  -5.557   0.396
  167    HE1  TYR  25           HE2      TYR  25  12.724  -7.117  -4.165
  168    HE2  TYR  25           HE1      TYR  25  15.535  -6.990  -0.897
  169    HH   TYR  25           HH       TYR  25  14.760  -8.178  -4.197
  170    H    ILE  26           H        ILE  26   9.204  -2.893  -1.631
  171    HA   ILE  26           HA       ILE  26   7.995  -1.467   0.707
  172    HB   ILE  26           HB       ILE  26   6.715  -2.358  -1.909
  173   HG12  ILE  26          HG12      ILE  26   8.014   0.261  -1.108
  174   HG13  ILE  26          HG13      ILE  26   8.377  -0.751  -2.498
  175   HG21  ILE  26          HG21      ILE  26   5.160  -2.076   0.060
  176   HG22  ILE  26          HG22      ILE  26   5.738  -0.410   0.242
  177   HG23  ILE  26          HG23      ILE  26   4.843  -0.912  -1.212
  178   HD11  ILE  26          HD11      ILE  26   5.888   0.954  -2.121
  179   HD12  ILE  26          HD12      ILE  26   7.210   1.194  -3.267
  180   HD13  ILE  26          HD13      ILE  26   6.124  -0.205  -3.453
  181    H    HIS  27           H        HIS  27   7.267  -2.693   2.333
  182    HA   HIS  27           HA       HIS  27   6.703  -5.600   1.862
  183    HB2  HIS  27           HB2      HIS  27   7.332  -4.095   4.420
  184    HB3  HIS  27           HB3      HIS  27   7.006  -5.818   4.289
  185    HD2  HIS  27           HD2      HIS  27   9.774  -3.294   4.098
  186    HE1  HIS  27           HE1      HIS  27  11.506  -6.964   2.820
  187    HE2  HIS  27           HE2      HIS  27  12.005  -4.576   3.557
  188    H    ILE  28           H        ILE  28   4.589  -5.941   1.487
  189    HA   ILE  28           HA       ILE  28   2.537  -4.305   2.959
  190    HB   ILE  28           HB       ILE  28   2.074  -6.088   0.546
  191   HG12  ILE  28          HG12      ILE  28   2.365  -3.043   0.616
  192   HG13  ILE  28          HG13      ILE  28   3.597  -4.143  -0.004
  193   HG21  ILE  28          HG21      ILE  28  -0.098  -4.809   0.496
  194   HG22  ILE  28          HG22      ILE  28   0.093  -5.694   2.004
  195   HG23  ILE  28          HG23      ILE  28   0.381  -3.949   1.959
  196   HD11  ILE  28          HD11      ILE  28   0.841  -3.761  -1.190
  197   HD12  ILE  28          HD12      ILE  28   2.395  -3.257  -1.866
  198   HD13  ILE  28          HD13      ILE  28   2.016  -4.986  -1.710
  199    H    ARG  29           H        ARG  29   2.238  -5.148   4.831
  200    HA   ARG  29           HA       ARG  29   2.264  -8.085   5.315
  201    HB2  ARG  29           HB2      ARG  29   2.639  -5.753   7.244
  202    HB3  ARG  29           HB3      ARG  29   2.901  -7.464   7.593
  203    HG2  ARG  29           HG2      ARG  29   4.789  -7.443   5.928
  204    HG3  ARG  29           HG3      ARG  29   4.549  -5.702   5.720
  205    HD2  ARG  29           HD2      ARG  29   4.980  -5.352   8.129
  206    HD3  ARG  29           HD3      ARG  29   5.240  -7.084   8.351
  207    HE   ARG  29           HE       ARG  29   7.080  -5.127   7.187
  208   HH11  ARG  29          HH11      ARG  29   6.453  -8.620   7.308
  209   HH12  ARG  29          HH12      ARG  29   8.070  -8.988   6.794
  210   HH21  ARG  29          HH21      ARG  29   9.050  -5.644   6.596
  211   HH22  ARG  29          HH22      ARG  29   9.560  -7.309   6.396
  212    H    ILE  30           H        ILE  30   0.921  -8.589   7.407
  213    HA   ILE  30           HA       ILE  30  -1.603  -7.011   7.557
  214    HB   ILE  30           HB       ILE  30  -1.519 -10.052   7.636
  215   HG12  ILE  30          HG12      ILE  30  -2.763  -8.085   5.645
  216   HG13  ILE  30          HG13      ILE  30  -1.404  -9.161   5.325
  217   HG21  ILE  30          HG21      ILE  30  -3.115  -9.076   9.284
  218   HG22  ILE  30          HG22      ILE  30  -3.882  -8.159   7.967
  219   HG23  ILE  30          HG23      ILE  30  -3.932  -9.930   8.001
  220   HD11  ILE  30          HD11      ILE  30  -3.384 -10.072   4.302
  221   HD12  ILE  30          HD12      ILE  30  -2.913 -11.133   5.648
  222   HD13  ILE  30          HD13      ILE  30  -4.286 -10.008   5.809
  223    H    GLN  31           H        GLN  31  -2.267  -6.589   9.570
  224    HA   GLN  31           HA       GLN  31  -0.195  -6.618  11.597
  225    HB2  GLN  31           HB2      GLN  31  -2.017  -4.812  10.839
  226    HB3  GLN  31           HB3      GLN  31  -3.030  -5.625  12.026
  227    HG2  GLN  31           HG2      GLN  31  -0.354  -4.232  12.483
  228    HG3  GLN  31           HG3      GLN  31  -1.949  -3.634  12.945
  229   HE21  GLN  31          HE21      GLN  31  -3.181  -5.020  14.618
  230   HE22  GLN  31          HE22      GLN  31  -2.231  -6.021  15.704
  231    H    GLN  32           H        GLN  32  -0.291  -7.595  13.688
  232    HA   GLN  32           HA       GLN  32  -1.703 -10.156  13.816
  233    HB2  GLN  32           HB2      GLN  32   0.121  -8.698  15.775
  234    HB3  GLN  32           HB3      GLN  32  -0.537 -10.322  16.019
  235    HG2  GLN  32           HG2      GLN  32   0.612 -11.114  13.966
  236    HG3  GLN  32           HG3      GLN  32   1.292  -9.503  13.713
  237   HE21  GLN  32          HE21      GLN  32   2.757  -8.633  15.522
  238   HE22  GLN  32          HE22      GLN  32   3.697  -9.826  16.402
  239    H    ARG  33           H        ARG  33  -3.852  -9.980  14.080
  240    HA   ARG  33           HA       ARG  33  -5.054  -7.893  15.671
  241    HB2  ARG  33           HB2      ARG  33  -7.167  -8.806  14.958
  242    HB3  ARG  33           HB3      ARG  33  -6.057  -8.621  13.603
  243    HG2  ARG  33           HG2      ARG  33  -5.560 -11.116  13.779
  244    HG3  ARG  33           HG3      ARG  33  -6.859 -11.218  14.980
  245    HD2  ARG  33           HD2      ARG  33  -8.468 -10.343  13.305
  246    HD3  ARG  33           HD3      ARG  33  -7.165 -10.284  12.099
  247    HE   ARG  33           HE       ARG  33  -7.294 -12.892  13.274
  248   HH11  ARG  33          HH11      ARG  33  -9.033 -10.943  10.877
  249   HH12  ARG  33          HH12      ARG  33  -9.790 -12.343  10.176
  250   HH21  ARG  33          HH21      ARG  33  -8.235 -14.644  12.257
  251   HH22  ARG  33          HH22      ARG  33  -9.302 -14.404  10.908
  252    H    ASN  34           H        ASN  34  -5.582  -7.864  17.701
  253    HA   ASN  34           HA       ASN  34  -5.529 -10.351  19.372
  254    HB2  ASN  34           HB2      ASN  34  -4.891  -7.440  19.954
  255    HB3  ASN  34           HB3      ASN  34  -5.238  -8.599  21.236
  256   HD21  ASN  34          HD21      ASN  34  -2.991  -8.184  18.381
  257   HD22  ASN  34          HD22      ASN  34  -1.700  -9.057  19.173
  258    H    GLY  35           H        GLY  35  -7.709 -10.621  18.256
  259    HA2  GLY  35           HA2      GLY  35 -10.011 -10.802  18.546
  260    HA3  GLY  35           HA3      GLY  35  -9.916  -9.749  19.977
  261    H    ARG  36           H        ARG  36  -8.416  -8.312  17.307
  262    HA   ARG  36           HA       ARG  36 -10.660  -6.392  16.949
  263    HB2  ARG  36           HB2      ARG  36  -7.746  -6.115  16.115
  264    HB3  ARG  36           HB3      ARG  36  -8.963  -4.844  16.169
  265    HG2  ARG  36           HG2      ARG  36  -7.690  -6.264  18.541
  266    HG3  ARG  36           HG3      ARG  36  -7.448  -4.598  18.029
  267    HD2  ARG  36           HD2      ARG  36  -9.806  -4.069  18.560
  268    HD3  ARG  36           HD3      ARG  36 -10.071  -5.750  19.070
  269    HE   ARG  36           HE       ARG  36  -7.849  -4.710  20.500
  270   HH11  ARG  36          HH11      ARG  36 -11.364  -4.301  20.430
  271   HH12  ARG  36          HH12      ARG  36 -11.435  -3.847  22.108
  272   HH21  ARG  36          HH21      ARG  36  -8.012  -4.111  22.654
  273   HH22  ARG  36          HH22      ARG  36  -9.562  -3.739  23.344
  274    H    LYS  37           H        LYS  37 -10.732  -5.344  14.720
  275    HA   LYS  37           HA       LYS  37 -11.105  -7.292  12.593
  276    HB2  LYS  37           HB2      LYS  37 -11.046  -4.242  12.580
  277    HB3  LYS  37           HB3      LYS  37 -11.485  -5.248  11.193
  278    HG2  LYS  37           HG2      LYS  37 -13.357  -6.243  12.492
  279    HG3  LYS  37           HG3      LYS  37 -12.957  -5.197  13.868
  280    HD2  LYS  37           HD2      LYS  37 -13.369  -3.189  12.469
  281    HD3  LYS  37           HD3      LYS  37 -13.793  -4.240  11.096
  282    HE2  LYS  37           HE2      LYS  37 -15.632  -5.244  12.439
  283    HE3  LYS  37           HE3      LYS  37 -15.209  -4.205  13.804
  284    HZ1  LYS  37           HZ1      LYS  37 -17.045  -3.279  12.528
  285    HZ2  LYS  37           HZ2      LYS  37 -16.154  -3.239  11.160
  286    HZ3  LYS  37           HZ3      LYS  37 -15.760  -2.276  12.425
  287    H    THR  38           H        THR  38  -9.963  -7.451  10.613
  288    HA   THR  38           HA       THR  38  -7.107  -7.569  10.836
  289    HB   THR  38           HB       THR  38  -8.834  -7.746   8.334
  290    HG1  THR  38           HG1      THR  38  -8.981  -9.899   8.854
  291   HG21  THR  38          HG21      THR  38  -6.104  -8.916   9.039
  292   HG22  THR  38          HG22      THR  38  -6.435  -7.690   7.794
  293   HG23  THR  38          HG23      THR  38  -7.044  -9.334   7.592
  294    H    LEU  39           H        LEU  39  -5.507  -6.250  10.086
  295    HA   LEU  39           HA       LEU  39  -6.210  -3.901   8.387
  296    HB2  LEU  39           HB2      LEU  39  -4.270  -3.958  10.737
  297    HB3  LEU  39           HB3      LEU  39  -4.431  -2.623   9.605
  298    HG   LEU  39           HG       LEU  39  -6.633  -3.581  11.492
  299   HD11  LEU  39          HD11      LEU  39  -6.111  -1.542  12.774
  300   HD12  LEU  39          HD12      LEU  39  -4.777  -1.171  11.662
  301   HD13  LEU  39          HD13      LEU  39  -4.705  -2.616  12.694
  302   HD21  LEU  39          HD21      LEU  39  -7.697  -1.390  10.912
  303   HD22  LEU  39          HD22      LEU  39  -7.594  -2.482   9.533
  304   HD23  LEU  39          HD23      LEU  39  -6.448  -1.130   9.673
  305    H    THR  40           H        THR  40  -4.952  -3.651   6.668
  306    HA   THR  40           HA       THR  40  -2.562  -5.371   6.189
  307    HB   THR  40           HB       THR  40  -4.236  -3.551   4.413
  308    HG1  THR  40           HG1      THR  40  -4.939  -5.639   5.053
  309   HG21  THR  40          HG21      THR  40  -1.875  -3.404   3.621
  310   HG22  THR  40          HG22      THR  40  -2.846  -4.410   2.538
  311   HG23  THR  40          HG23      THR  40  -1.742  -5.177   3.698
  312    H    THR  41           H        THR  41  -0.587  -4.601   6.584
  313    HA   THR  41           HA       THR  41  -0.236  -1.707   7.217
  314    HB   THR  41           HB       THR  41   1.862  -2.769   8.444
  315    HG1  THR  41           HG1      THR  41   1.296  -4.763   9.343
  316   HG21  THR  41          HG21      THR  41   0.490  -2.826  10.489
  317   HG22  THR  41          HG22      THR  41  -0.996  -2.889   9.507
  318   HG23  THR  41          HG23      THR  41   0.048  -1.449   9.465
  319    H    VAL  42           H        VAL  42   0.708  -0.598   5.730
  320    HA   VAL  42           HA       VAL  42   2.594  -1.905   3.807
  321    HB   VAL  42           HB       VAL  42   1.525   0.932   3.710
  322   HG11  VAL  42          HG11      VAL  42   2.245   0.807   1.328
  323   HG12  VAL  42          HG12      VAL  42   3.612   0.628   2.430
  324   HG13  VAL  42          HG13      VAL  42   2.935  -0.803   1.629
  325   HG21  VAL  42          HG21      VAL  42  -0.364  -0.646   3.502
  326   HG22  VAL  42          HG22      VAL  42  -0.014   0.144   1.966
  327   HG23  VAL  42          HG23      VAL  42   0.521  -1.536   2.241
  328    H    GLN  43           H        GLN  43   4.671  -1.783   4.129
  329    HA   GLN  43           HA       GLN  43   5.942   0.424   5.722
  330    HB2  GLN  43           HB2      GLN  43   5.793  -1.654   7.013
  331    HB3  GLN  43           HB3      GLN  43   6.385  -2.588   5.656
  332    HG2  GLN  43           HG2      GLN  43   8.617  -1.413   5.871
  333    HG3  GLN  43           HG3      GLN  43   7.990  -0.608   7.319
  334   HE21  GLN  43          HE21      GLN  43   8.245  -1.771   9.275
  335   HE22  GLN  43          HE22      GLN  43   8.720  -3.473   9.311
  336    H    GLY  44           H        GLY  44   8.060   1.058   4.999
  337    HA2  GLY  44           HA2      GLY  44   9.920   1.167   3.652
  338    HA3  GLY  44           HA3      GLY  44   9.431  -0.379   2.928
  339    H    VAL  45           H        VAL  45   6.924   1.759   2.437
  340    HA   VAL  45           HA       VAL  45   7.348   2.136  -0.342
  341    HB   VAL  45           HB       VAL  45   5.152   2.250   0.586
  342   HG11  VAL  45          HG11      VAL  45   5.595   3.490   2.700
  343   HG12  VAL  45          HG12      VAL  45   5.824   4.976   1.747
  344   HG13  VAL  45          HG13      VAL  45   4.250   4.161   1.766
  345   HG21  VAL  45          HG21      VAL  45   5.867   4.879  -0.779
  346   HG22  VAL  45          HG22      VAL  45   5.599   3.325  -1.601
  347   HG23  VAL  45          HG23      VAL  45   4.272   4.103  -0.732
  348    HA   PRO  46           HA       PRO  46  10.590   5.202  -0.405
  349    HB2  PRO  46           HB2      PRO  46   9.195   5.984  -2.971
  350    HB3  PRO  46           HB3      PRO  46  10.930   5.839  -2.672
  351    HG2  PRO  46           HG2      PRO  46   9.630   3.821  -3.897
  352    HG3  PRO  46           HG3      PRO  46  10.773   3.430  -2.570
  353    HD2  PRO  46           HD2      PRO  46   7.751   3.624  -2.448
  354    HD3  PRO  46           HD3      PRO  46   8.855   2.404  -1.740
  355    H    GLU  47           H        GLU  47  10.875   7.295   0.266
  356    HA   GLU  47           HA       GLU  47   8.590   8.611   1.348
  357    HB2  GLU  47           HB2      GLU  47  10.127  10.063   2.400
  358    HB3  GLU  47           HB3      GLU  47  10.852   8.468   2.398
  359    HG2  GLU  47           HG2      GLU  47  11.571  10.826   0.603
  360    HG3  GLU  47           HG3      GLU  47  12.510  10.206   1.951
  361    H    GLU  48           H        GLU  48   9.851   8.886  -1.783
  362    HA   GLU  48           HA       GLU  48   9.088  11.641  -2.325
  363    HB2  GLU  48           HB2      GLU  48   9.422  11.097  -4.641
  364    HB3  GLU  48           HB3      GLU  48  10.759  10.469  -3.685
  365    HG2  GLU  48           HG2      GLU  48   9.731   8.187  -3.787
  366    HG3  GLU  48           HG3      GLU  48   8.432   8.831  -4.795
  367    H    TYR  49           H        TYR  49   7.300   8.682  -1.927
  368    HA   TYR  49           HA       TYR  49   4.884   9.740  -3.285
  369    HB2  TYR  49           HB2      TYR  49   5.392   7.088  -1.892
  370    HB3  TYR  49           HB3      TYR  49   3.935   7.546  -2.758
  371    HD1  TYR  49           HD2      TYR  49   4.286   8.337  -5.271
  372    HD2  TYR  49           HD1      TYR  49   7.066   5.882  -3.068
  373    HE1  TYR  49           HE2      TYR  49   5.263   7.523  -7.411
  374    HE2  TYR  49           HE1      TYR  49   8.028   5.055  -5.203
  375    HH   TYR  49           HH       TYR  49   7.986   5.188  -7.502
  376    H    ASP  50           H        ASP  50   3.484  10.942  -2.182
  377    HA   ASP  50           HA       ASP  50   3.678  11.394   0.667
  378    HB2  ASP  50           HB2      ASP  50   3.019  13.176  -0.812
  379    HB3  ASP  50           HB3      ASP  50   1.662  12.235  -1.437
  380    H    LEU  51           H        LEU  51   2.958  10.113   2.210
  381    HA   LEU  51           HA       LEU  51   1.349   7.810   1.843
  382    HB2  LEU  51           HB2      LEU  51   1.736   9.429   4.391
  383    HB3  LEU  51           HB3      LEU  51   1.265   7.732   4.286
  384    HG   LEU  51           HG       LEU  51   3.978   8.944   3.615
  385   HD11  LEU  51          HD11      LEU  51   3.056   7.010   5.786
  386   HD12  LEU  51          HD12      LEU  51   3.444   8.731   6.008
  387   HD13  LEU  51          HD13      LEU  51   4.718   7.589   5.540
  388   HD21  LEU  51          HD21      LEU  51   4.805   6.673   3.238
  389   HD22  LEU  51          HD22      LEU  51   3.551   7.056   2.053
  390   HD23  LEU  51          HD23      LEU  51   3.177   6.006   3.444
  391    H    LYS  52           H        LYS  52   0.414  11.106   2.776
  392    HA   LYS  52           HA       LYS  52  -2.344  10.573   3.367
  393    HB2  LYS  52           HB2      LYS  52  -1.104  13.132   2.300
  394    HB3  LYS  52           HB3      LYS  52  -2.653  12.977   3.126
  395    HG2  LYS  52           HG2      LYS  52  -1.470  12.187   5.177
  396    HG3  LYS  52           HG3      LYS  52   0.083  12.427   4.374
  397    HD2  LYS  52           HD2      LYS  52  -1.976  14.560   5.044
  398    HD3  LYS  52           HD3      LYS  52  -0.427  14.314   5.837
  399    HE2  LYS  52           HE2      LYS  52  -0.860  15.225   2.952
  400    HE3  LYS  52           HE3      LYS  52  -0.378  16.240   4.311
  401    HZ1  LYS  52           HZ1      LYS  52   1.553  15.663   3.059
  402    HZ2  LYS  52           HZ2      LYS  52   1.234  14.068   3.083
  403    HZ3  LYS  52           HZ3      LYS  52   1.663  14.847   4.471
  404    H    ARG  53           H        ARG  53  -0.720  11.314   0.249
  405    HA   ARG  53           HA       ARG  53  -3.150  11.301  -1.302
  406    HB2  ARG  53           HB2      ARG  53  -1.094  12.332  -2.134
  407    HB3  ARG  53           HB3      ARG  53  -0.269  10.775  -2.132
  408    HG2  ARG  53           HG2      ARG  53  -0.921  11.408  -4.385
  409    HG3  ARG  53           HG3      ARG  53  -1.740   9.926  -3.896
  410    HD2  ARG  53           HD2      ARG  53  -3.807  11.237  -3.423
  411    HD3  ARG  53           HD3      ARG  53  -2.966  12.720  -3.922
  412    HE   ARG  53           HE       ARG  53  -2.719  10.849  -6.023
  413   HH11  ARG  53          HH11      ARG  53  -5.334  12.697  -4.515
  414   HH12  ARG  53          HH12      ARG  53  -6.312  12.656  -5.951
  415   HH21  ARG  53          HH21      ARG  53  -4.023  10.852  -7.845
  416   HH22  ARG  53          HH22      ARG  53  -5.572  11.636  -7.811
  417    H    ILE  54           H        ILE  54  -0.897   8.704  -0.300
  418    HA   ILE  54           HA       ILE  54  -2.169   6.552  -1.764
  419    HB   ILE  54           HB       ILE  54  -0.569   6.415   0.809
  420   HG12  ILE  54          HG12      ILE  54   0.255   5.950  -2.092
  421   HG13  ILE  54          HG13      ILE  54   0.643   7.395  -1.183
  422   HG21  ILE  54          HG21      ILE  54  -1.973   4.420   0.516
  423   HG22  ILE  54          HG22      ILE  54  -1.446   4.259  -1.172
  424   HG23  ILE  54          HG23      ILE  54  -0.308   4.000   0.167
  425   HD11  ILE  54          HD11      ILE  54   2.584   6.027  -1.177
  426   HD12  ILE  54          HD12      ILE  54   1.919   5.991   0.466
  427   HD13  ILE  54          HD13      ILE  54   1.689   4.606  -0.626
  428    H    LEU  55           H        LEU  55  -2.842   7.906   1.542
  429    HA   LEU  55           HA       LEU  55  -5.082   6.223   2.054
  430    HB2  LEU  55           HB2      LEU  55  -4.877   9.158   2.861
  431    HB3  LEU  55           HB3      LEU  55  -5.873   7.908   3.548
  432    HG   LEU  55           HG       LEU  55  -2.939   8.407   3.933
  433   HD11  LEU  55          HD11      LEU  55  -4.618   9.444   5.412
  434   HD12  LEU  55          HD12      LEU  55  -3.611   8.289   6.297
  435   HD13  LEU  55          HD13      LEU  55  -5.263   7.838   5.816
  436   HD21  LEU  55          HD21      LEU  55  -2.742   6.273   5.175
  437   HD22  LEU  55          HD22      LEU  55  -2.915   6.043   3.437
  438   HD23  LEU  55          HD23      LEU  55  -4.313   5.754   4.516
  439    H    LYS  56           H        LYS  56  -5.079   9.501   0.534
  440    HA   LYS  56           HA       LYS  56  -7.829   9.630  -0.027
  441    HB2  LYS  56           HB2      LYS  56  -5.416  10.786  -1.483
  442    HB3  LYS  56           HB3      LYS  56  -7.063  11.206  -1.924
  443    HG2  LYS  56           HG2      LYS  56  -5.947  11.646   0.881
  444    HG3  LYS  56           HG3      LYS  56  -5.887  12.848  -0.411
  445    HD2  LYS  56           HD2      LYS  56  -8.373  12.796  -0.566
  446    HD3  LYS  56           HD3      LYS  56  -8.423  11.643   0.786
  447    HE2  LYS  56           HE2      LYS  56  -7.262  13.285   2.239
  448    HE3  LYS  56           HE3      LYS  56  -7.188  14.434   0.896
  449    HZ1  LYS  56           HZ1      LYS  56  -9.694  13.419   2.128
  450    HZ2  LYS  56           HZ2      LYS  56  -9.622  14.480   0.884
  451    HZ3  LYS  56           HZ3      LYS  56  -9.060  14.906   2.356
  452    H    VAL  57           H        VAL  57  -5.307   8.332  -2.230
  453    HA   VAL  57           HA       VAL  57  -7.226   7.799  -4.302
  454    HB   VAL  57           HB       VAL  57  -4.813   8.166  -4.677
  455   HG11  VAL  57          HG11      VAL  57  -4.049   6.598  -2.881
  456   HG12  VAL  57          HG12      VAL  57  -4.374   5.260  -3.995
  457   HG13  VAL  57          HG13      VAL  57  -3.191   6.538  -4.413
  458   HG21  VAL  57          HG21      VAL  57  -5.873   5.607  -5.950
  459   HG22  VAL  57          HG22      VAL  57  -6.320   7.257  -6.441
  460   HG23  VAL  57          HG23      VAL  57  -4.645   6.709  -6.611
  461    H    LEU  58           H        LEU  58  -5.933   5.650  -1.715
  462    HA   LEU  58           HA       LEU  58  -7.374   3.315  -2.705
  463    HB2  LEU  58           HB2      LEU  58  -6.139   3.941   0.002
  464    HB3  LEU  58           HB3      LEU  58  -6.755   2.363  -0.486
  465    HG   LEU  58           HG       LEU  58  -4.433   3.813  -1.855
  466   HD11  LEU  58          HD11      LEU  58  -4.387   1.405  -0.014
  467   HD12  LEU  58          HD12      LEU  58  -3.936   3.049   0.472
  468   HD13  LEU  58          HD13      LEU  58  -2.991   2.193  -0.762
  469   HD21  LEU  58          HD21      LEU  58  -5.590   1.035  -2.294
  470   HD22  LEU  58          HD22      LEU  58  -4.005   1.573  -2.892
  471   HD23  LEU  58          HD23      LEU  58  -5.466   2.375  -3.466
  472    H    LYS  59           H        LYS  59  -8.229   5.934  -0.447
  473    HA   LYS  59           HA       LYS  59 -10.805   4.778   0.271
  474    HB2  LYS  59           HB2      LYS  59  -9.667   7.600   0.384
  475    HB3  LYS  59           HB3      LYS  59 -11.280   7.169   0.974
  476    HG2  LYS  59           HG2      LYS  59 -10.351   5.545   2.529
  477    HG3  LYS  59           HG3      LYS  59  -8.715   5.839   1.962
  478    HD2  LYS  59           HD2      LYS  59  -9.019   8.289   2.672
  479    HD3  LYS  59           HD3      LYS  59 -10.519   7.765   3.471
  480    HE2  LYS  59           HE2      LYS  59  -9.102   6.005   4.676
  481    HE3  LYS  59           HE3      LYS  59  -7.672   6.780   4.004
  482    HZ1  LYS  59           HZ1      LYS  59  -8.144   7.560   6.241
  483    HZ2  LYS  59           HZ2      LYS  59  -9.650   8.044   5.827
  484    HZ3  LYS  59           HZ3      LYS  59  -8.346   8.819   5.204
  485    H    LYS  60           H        LYS  60  -9.720   6.768  -2.456
  486    HA   LYS  60           HA       LYS  60 -12.423   7.245  -3.442
  487    HB2  LYS  60           HB2      LYS  60 -10.585   8.866  -3.705
  488    HB3  LYS  60           HB3      LYS  60  -9.663   7.713  -4.649
  489    HG2  LYS  60           HG2      LYS  60 -10.687   9.380  -6.091
  490    HG3  LYS  60           HG3      LYS  60 -11.303   7.777  -6.461
  491    HD2  LYS  60           HD2      LYS  60 -13.079   9.434  -6.566
  492    HD3  LYS  60           HD3      LYS  60 -13.416   8.287  -5.269
  493    HE2  LYS  60           HE2      LYS  60 -12.557   9.923  -3.595
  494    HE3  LYS  60           HE3      LYS  60 -12.157  11.048  -4.897
  495    HZ1  LYS  60           HZ1      LYS  60 -14.526  11.165  -5.439
  496    HZ2  LYS  60           HZ2      LYS  60 -14.288  11.591  -3.881
  497    HZ3  LYS  60           HZ3      LYS  60 -14.900  10.120  -4.239
  498    H    ASP  61           H        ASP  61  -9.676   5.411  -4.896
  499    HA   ASP  61           HA       ASP  61 -11.398   4.398  -6.997
  500    HB2  ASP  61           HB2      ASP  61  -8.987   5.103  -7.238
  501    HB3  ASP  61           HB3      ASP  61  -8.521   3.662  -6.347
  502    H    PHE  62           H        PHE  62  -9.804   2.882  -4.173
  503    HA   PHE  62           HA       PHE  62 -10.992   0.241  -4.787
  504    HB2  PHE  62           HB2      PHE  62  -9.058   1.183  -2.632
  505    HB3  PHE  62           HB3      PHE  62  -9.666  -0.444  -2.771
  506    HD1  PHE  62           HD1      PHE  62  -7.701   2.158  -4.662
  507    HD2  PHE  62           HD2      PHE  62  -8.593  -2.032  -4.129
  508    HE1  PHE  62           HE1      PHE  62  -5.819   1.572  -6.135
  509    HE2  PHE  62           HE2      PHE  62  -6.678  -2.613  -5.595
  510    HZ   PHE  62           HZ       PHE  62  -5.280  -0.828  -6.591
  511    H    ALA  63           H        ALA  63 -12.021   3.004  -3.201
  512    HA   ALA  63           HA       ALA  63 -13.617   3.544  -1.680
  513    HB1  ALA  63           HB1      ALA  63 -14.780   0.812  -2.353
  514    HB2  ALA  63           HB2      ALA  63 -15.645   2.214  -1.697
  515    HB3  ALA  63           HB3      ALA  63 -14.972   2.283  -3.335
  516    H    CYS  64           H        CYS  64 -11.198   2.394  -0.575
  517    HA   CYS  64           HA       CYS  64 -12.059   0.606   1.625
  518    HB2  CYS  64           HB2      CYS  64 -10.072   0.279  -0.042
  519    HB3  CYS  64           HB3      CYS  64  -9.213   1.444   0.978
  520    HG   CYS  64           HG       CYS  64  -8.588  -1.092   1.577
  521    H    ASN  65           H        ASN  65 -10.052   1.269   3.520
  522    HA   ASN  65           HA       ASN  65 -10.153   4.097   4.132
  523    HB2  ASN  65           HB2      ASN  65 -12.384   3.359   5.001
  524    HB3  ASN  65           HB3      ASN  65 -11.559   2.207   6.046
  525   HD21  ASN  65          HD21      ASN  65 -11.904   3.080   8.103
  526   HD22  ASN  65          HD22      ASN  65 -11.497   4.740   8.539
  527    H    GLY  66           H        GLY  66  -8.756   4.697   5.930
  528    HA2  GLY  66           HA2      GLY  66  -6.947   2.878   7.188
  529    HA3  GLY  66           HA3      GLY  66  -6.258   3.405   5.670
  530    H    ASN  67           H        ASN  67  -4.760   3.933   7.590
  531    HA   ASN  67           HA       ASN  67  -4.670   6.811   7.926
  532    HB2  ASN  67           HB2      ASN  67  -4.904   7.039  10.239
  533    HB3  ASN  67           HB3      ASN  67  -6.268   6.045   9.760
  534   HD21  ASN  67          HD21      ASN  67  -5.795   3.519   9.982
  535   HD22  ASN  67          HD22      ASN  67  -4.839   3.060  11.387
  536    H    ILE  68           H        ILE  68  -2.683   7.507   9.220
  537    HA   ILE  68           HA       ILE  68  -0.367   5.725   8.531
  538    HB   ILE  68           HB       ILE  68  -0.529   8.730   8.974
  539   HG12  ILE  68          HG12      ILE  68   0.227   7.348   6.375
  540   HG13  ILE  68          HG13      ILE  68  -1.459   7.645   6.749
  541   HG21  ILE  68          HG21      ILE  68   1.672   7.914   9.698
  542   HG22  ILE  68          HG22      ILE  68   1.853   6.973   8.201
  543   HG23  ILE  68          HG23      ILE  68   1.851   8.746   8.162
  544   HD11  ILE  68          HD11      ILE  68   0.663   9.806   6.529
  545   HD12  ILE  68          HD12      ILE  68  -0.644   9.451   5.382
  546   HD13  ILE  68          HD13      ILE  68  -1.033  10.066   6.994
  547    H    VAL  69           H        VAL  69   0.991   4.998  10.096
  548    HA   VAL  69           HA       VAL  69   0.798   6.060  12.898
  549    HB   VAL  69           HB       VAL  69   0.660   3.114  12.092
  550   HG11  VAL  69          HG11      VAL  69   0.347   2.681  14.541
  551   HG12  VAL  69          HG12      VAL  69   1.953   3.279  14.150
  552   HG13  VAL  69          HG13      VAL  69   0.749   4.381  14.866
  553   HG21  VAL  69          HG21      VAL  69  -1.424   4.918  13.388
  554   HG22  VAL  69          HG22      VAL  69  -1.524   4.115  11.799
  555   HG23  VAL  69          HG23      VAL  69  -1.553   3.156  13.278
  556    H    LYS  70           H        LYS  70   2.751   5.994  14.029
  557    HA   LYS  70           HA       LYS  70   5.117   4.771  12.641
  558    HB2  LYS  70           HB2      LYS  70   5.302   7.174  12.959
  559    HB3  LYS  70           HB3      LYS  70   5.064   7.008  14.700
  560    HG2  LYS  70           HG2      LYS  70   7.124   5.863  15.014
  561    HG3  LYS  70           HG3      LYS  70   7.288   5.463  13.303
  562    HD2  LYS  70           HD2      LYS  70   7.434   8.316  14.369
  563    HD3  LYS  70           HD3      LYS  70   8.849   7.269  14.132
  564    HE2  LYS  70           HE2      LYS  70   8.276   6.979  11.746
  565    HE3  LYS  70           HE3      LYS  70   6.847   7.996  11.948
  566    HZ1  LYS  70           HZ1      LYS  70   9.648   8.898  12.185
  567    HZ2  LYS  70           HZ2      LYS  70   8.343   9.841  12.511
  568    HZ3  LYS  70           HZ3      LYS  70   8.558   9.254  10.996
  569    H    ASP  71           H        ASP  71   5.140   2.729  13.318
  570    HA   ASP  71           HA       ASP  71   4.268   1.908  15.978
  571    HB2  ASP  71           HB2      ASP  71   3.732   0.719  13.812
  572    HB3  ASP  71           HB3      ASP  71   5.430   0.310  13.684
  573    HA   PRO  72           HA       PRO  72   8.357   1.772  17.875
  574    HB2  PRO  72           HB2      PRO  72   7.337  -0.764  19.168
  575    HB3  PRO  72           HB3      PRO  72   8.184   0.622  19.922
  576    HG2  PRO  72           HG2      PRO  72   5.505   0.360  20.160
  577    HG3  PRO  72           HG3      PRO  72   6.218   1.973  19.811
  578    HD2  PRO  72           HD2      PRO  72   4.920   0.027  17.902
  579    HD3  PRO  72           HD3      PRO  72   4.732   1.804  18.020
  580    H    GLU  73           H        GLU  73   7.065  -1.202  16.364
  581    HA   GLU  73           HA       GLU  73   9.841  -2.277  15.977
  582    HB2  GLU  73           HB2      GLU  73   7.137  -3.686  15.863
  583    HB3  GLU  73           HB3      GLU  73   8.723  -4.426  15.608
  584    HG2  GLU  73           HG2      GLU  73   9.359  -3.642  17.930
  585    HG3  GLU  73           HG3      GLU  73   7.674  -3.185  18.186
  586    H    MET  74           H        MET  74   6.716  -1.846  14.295
  587    HA   MET  74           HA       MET  74   7.845  -2.562  11.686
  588    HB2  MET  74           HB2      MET  74   5.111  -1.593  12.580
  589    HB3  MET  74           HB3      MET  74   5.507  -1.880  10.892
  590    HG2  MET  74           HG2      MET  74   6.141  -4.215  11.439
  591    HG3  MET  74           HG3      MET  74   5.689  -3.947  13.121
  592    HE1  MET  74           HE1      MET  74   2.953  -2.332  13.060
  593    HE2  MET  74           HE2      MET  74   1.856  -3.723  13.096
  594    HE3  MET  74           HE3      MET  74   3.354  -3.758  14.042
  595    H    GLY  75           H        GLY  75   7.636   0.464  13.376
  596    HA2  GLY  75           HA2      GLY  75   8.573   2.505  12.749
  597    HA3  GLY  75           HA3      GLY  75   8.933   1.832  11.146
  598    H    GLU  76           H        GLU  76   8.290   3.865  10.272
  599    HA   GLU  76           HA       GLU  76   5.625   4.887  10.528
  600    HB2  GLU  76           HB2      GLU  76   7.919   6.018   9.877
  601    HB3  GLU  76           HB3      GLU  76   7.474   5.547   8.231
  602    HG2  GLU  76           HG2      GLU  76   5.280   6.708   8.575
  603    HG3  GLU  76           HG3      GLU  76   5.802   7.177  10.188
  604    H    ILE  77           H        ILE  77   3.873   3.973   9.726
  605    HA   ILE  77           HA       ILE  77   3.885   2.479   7.158
  606    HB   ILE  77           HB       ILE  77   2.605   0.655   8.239
  607   HG12  ILE  77          HG12      ILE  77   3.319   1.991  10.881
  608   HG13  ILE  77          HG13      ILE  77   1.704   1.801  10.196
  609   HG21  ILE  77          HG21      ILE  77   5.320   0.924   9.558
  610   HG22  ILE  77          HG22      ILE  77   4.468  -0.555   9.059
  611   HG23  ILE  77          HG23      ILE  77   5.088   0.559   7.841
  612   HD11  ILE  77          HD11      ILE  77   2.060  -0.712  10.328
  613   HD12  ILE  77          HD12      ILE  77   3.526  -0.367  11.268
  614   HD13  ILE  77          HD13      ILE  77   1.948   0.145  11.881
  615    H    ILE  78           H        ILE  78   1.934   2.173   6.147
  616    HA   ILE  78           HA       ILE  78  -0.406   3.795   7.098
  617    HB   ILE  78           HB       ILE  78   0.210   2.522   4.410
  618   HG12  ILE  78          HG12      ILE  78  -0.329   5.460   4.963
  619   HG13  ILE  78          HG13      ILE  78   1.300   4.793   5.105
  620   HG21  ILE  78          HG21      ILE  78  -1.973   3.582   3.663
  621   HG22  ILE  78          HG22      ILE  78  -2.168   2.238   4.768
  622   HG23  ILE  78          HG23      ILE  78  -2.331   3.899   5.371
  623   HD11  ILE  78          HD11      ILE  78   1.247   4.009   2.790
  624   HD12  ILE  78          HD12      ILE  78  -0.397   4.660   2.584
  625   HD13  ILE  78          HD13      ILE  78   0.950   5.757   2.881
  626    H    GLN  79           H        GLN  79  -2.125   2.782   7.896
  627    HA   GLN  79           HA       GLN  79  -2.356  -0.204   7.795
  628    HB2  GLN  79           HB2      GLN  79  -3.699   1.906   9.531
  629    HB3  GLN  79           HB3      GLN  79  -4.094   0.186   9.559
  630    HG2  GLN  79           HG2      GLN  79  -1.841  -0.352  10.364
  631    HG3  GLN  79           HG3      GLN  79  -1.369   1.350  10.301
  632   HE21  GLN  79          HE22      GLN  79  -1.207  -0.197  12.708
  633   HE22  GLN  79          HE21      GLN  79  -2.390   0.469  13.821
  634    H    LEU  80           H        LEU  80  -3.944  -0.982   6.454
  635    HA   LEU  80           HA       LEU  80  -6.184   0.805   5.609
  636    HB2  LEU  80           HB2      LEU  80  -4.240  -0.088   3.911
  637    HB3  LEU  80           HB3      LEU  80  -5.262  -1.525   3.941
  638    HG   LEU  80           HG       LEU  80  -7.196  -0.102   3.225
  639   HD11  LEU  80          HD11      LEU  80  -6.298   2.142   3.904
  640   HD12  LEU  80          HD12      LEU  80  -6.696   2.101   2.184
  641   HD13  LEU  80          HD13      LEU  80  -5.003   1.975   2.714
  642   HD21  LEU  80          HD21      LEU  80  -6.399   0.044   0.844
  643   HD22  LEU  80          HD22      LEU  80  -5.936  -1.476   1.618
  644   HD23  LEU  80          HD23      LEU  80  -4.737  -0.205   1.434
  645    H    GLN  81           H        GLN  81  -8.272  -0.172   5.685
  646    HA   GLN  81           HA       GLN  81  -8.518  -2.345   7.597
  647    HB2  GLN  81           HB2      GLN  81 -10.521  -0.728   5.979
  648    HB3  GLN  81           HB3      GLN  81 -11.004  -2.097   6.976
  649    HG2  GLN  81           HG2      GLN  81  -9.840  -0.996   8.950
  650    HG3  GLN  81           HG3      GLN  81  -9.600   0.434   7.938
  651   HE21  GLN  81          HE21      GLN  81 -12.294  -1.799   9.008
  652   HE22  GLN  81          HE22      GLN  81 -13.448  -0.485   9.177
  653    H    GLY  82           H        GLY  82  -8.848  -4.460   7.374
  654    HA2  GLY  82           HA2      GLY  82  -9.548  -6.467   6.389
  655    HA3  GLY  82           HA3      GLY  82  -9.751  -5.665   4.828
  656    H    ASP  83           H        ASP  83  -8.725  -7.783   4.260
  657    HA   ASP  83           HA       ASP  83  -5.770  -7.854   4.420
  658    HB2  ASP  83           HB2      ASP  83  -5.988 -10.122   3.623
  659    HB3  ASP  83           HB3      ASP  83  -6.925  -9.859   5.083
  660    H    GLN  84           H        GLN  84  -5.495  -6.012   3.070
  661    HA   GLN  84           HA       GLN  84  -6.356  -6.181   0.232
  662    HB2  GLN  84           HB2      GLN  84  -5.249  -3.762   1.690
  663    HB3  GLN  84           HB3      GLN  84  -6.178  -3.801   0.192
  664    HG2  GLN  84           HG2      GLN  84  -7.171  -4.312   3.021
  665    HG3  GLN  84           HG3      GLN  84  -7.563  -2.955   1.993
  666   HE21  GLN  84          HE21      GLN  84  -9.588  -4.215   3.152
  667   HE22  GLN  84          HE22      GLN  84 -10.498  -5.193   1.984
  668    H    ARG  85           H        ARG  85  -3.895  -7.502   1.516
  669    HA   ARG  85           HA       ARG  85  -1.655  -6.126   0.707
  670    HB2  ARG  85           HB2      ARG  85  -0.414  -8.238   0.993
  671    HB3  ARG  85           HB3      ARG  85  -1.517  -7.866   2.310
  672    HG2  ARG  85           HG2      ARG  85  -3.191  -9.465   1.365
  673    HG3  ARG  85           HG3      ARG  85  -2.032  -9.911   0.099
  674    HD2  ARG  85           HD2      ARG  85  -0.507 -10.835   1.723
  675    HD3  ARG  85           HD3      ARG  85  -1.413 -10.130   3.066
  676    HE   ARG  85           HE       ARG  85  -3.134 -11.846   1.558
  677   HH11  ARG  85          HH11      ARG  85  -0.367 -12.152   3.770
  678   HH12  ARG  85          HH12      ARG  85  -1.033 -13.645   4.447
  679   HH21  ARG  85          HH21      ARG  85  -3.804 -13.835   2.504
  680   HH22  ARG  85          HH22      ARG  85  -2.780 -14.533   3.753
  681    H    ALA  86           H        ALA  86  -3.454  -8.440  -1.284
  682    HA   ALA  86           HA       ALA  86  -1.683  -8.245  -3.591
  683    HB1  ALA  86           HB1      ALA  86  -3.136 -10.196  -3.155
  684    HB2  ALA  86           HB2      ALA  86  -4.582  -9.171  -3.301
  685    HB3  ALA  86           HB3      ALA  86  -3.535  -9.445  -4.712
  686    H    LYS  87           H        LYS  87  -4.720  -6.605  -2.617
  687    HA   LYS  87           HA       LYS  87  -5.071  -5.121  -5.054
  688    HB2  LYS  87           HB2      LYS  87  -6.108  -4.684  -2.213
  689    HB3  LYS  87           HB3      LYS  87  -6.605  -3.728  -3.605
  690    HG2  LYS  87           HG2      LYS  87  -7.302  -5.896  -4.750
  691    HG3  LYS  87           HG3      LYS  87  -7.024  -6.714  -3.198
  692    HD2  LYS  87           HD2      LYS  87  -8.633  -5.069  -2.144
  693    HD3  LYS  87           HD3      LYS  87  -9.008  -4.454  -3.750
  694    HE2  LYS  87           HE2      LYS  87  -9.373  -7.349  -2.838
  695    HE3  LYS  87           HE3      LYS  87 -10.651  -6.134  -2.853
  696    HZ1  LYS  87           HZ1      LYS  87 -10.742  -7.487  -4.841
  697    HZ2  LYS  87           HZ2      LYS  87  -9.212  -7.104  -5.260
  698    HZ3  LYS  87           HZ3      LYS  87 -10.378  -5.954  -5.265
  699    H    VAL  88           H        VAL  88  -3.468  -4.210  -1.983
  700    HA   VAL  88           HA       VAL  88  -2.693  -1.595  -2.967
  701    HB   VAL  88           HB       VAL  88  -1.533  -3.223  -0.679
  702   HG11  VAL  88          HG11      VAL  88   0.137  -1.540  -1.384
  703   HG12  VAL  88          HG12      VAL  88  -1.116  -0.280  -1.406
  704   HG13  VAL  88          HG13      VAL  88  -0.625  -1.038   0.119
  705   HG21  VAL  88          HG21      VAL  88  -2.867  -1.685   0.732
  706   HG22  VAL  88          HG22      VAL  88  -3.496  -0.880  -0.727
  707   HG23  VAL  88          HG23      VAL  88  -3.925  -2.560  -0.378
  708    H    CYS  89           H        CYS  89  -1.025  -4.812  -3.067
  709    HA   CYS  89           HA       CYS  89   1.403  -3.907  -4.252
  710    HB2  CYS  89           HB2      CYS  89   0.927  -6.203  -3.381
  711    HB3  CYS  89           HB3      CYS  89  -0.134  -6.502  -4.763
  712    HG   CYS  89           HG       CYS  89   1.700  -6.056  -6.623
  713    H    GLU  90           H        GLU  90  -1.662  -4.893  -5.852
  714    HA   GLU  90           HA       GLU  90  -0.922  -4.241  -8.484
  715    HB2  GLU  90           HB2      GLU  90  -2.899  -5.571  -7.748
  716    HB3  GLU  90           HB3      GLU  90  -3.698  -4.075  -7.243
  717    HG2  GLU  90           HG2      GLU  90  -3.649  -3.237  -9.543
  718    HG3  GLU  90           HG3      GLU  90  -2.696  -4.635 -10.059
  719    H    PHE  91           H        PHE  91  -2.292  -2.031  -5.947
  720    HA   PHE  91           HA       PHE  91  -2.609   0.257  -7.620
  721    HB2  PHE  91           HB2      PHE  91  -3.605   0.292  -5.446
  722    HB3  PHE  91           HB3      PHE  91  -2.110  -0.136  -4.651
  723    HD1  PHE  91           HD1      PHE  91  -3.660   2.602  -6.685
  724    HD2  PHE  91           HD2      PHE  91  -0.662   1.509  -3.798
  725    HE1  PHE  91           HE1      PHE  91  -2.988   4.984  -6.475
  726    HE2  PHE  91           HE2      PHE  91  -0.013   3.895  -3.557
  727    HZ   PHE  91           HZ       PHE  91  -1.181   5.640  -4.910
  728    H    MET  92           H        MET  92   0.186  -0.776  -5.634
  729    HA   MET  92           HA       MET  92   1.887   1.443  -6.196
  730    HB2  MET  92           HB2      MET  92   2.538  -1.439  -5.505
  731    HB3  MET  92           HB3      MET  92   3.701  -0.124  -5.422
  732    HG2  MET  92           HG2      MET  92   1.108  -0.030  -3.857
  733    HG3  MET  92           HG3      MET  92   2.493  -0.919  -3.254
  734    HE1  MET  92           HE1      MET  92   1.768   0.562  -1.125
  735    HE2  MET  92           HE2      MET  92   1.915   2.334  -1.068
  736    HE3  MET  92           HE3      MET  92   0.649   1.581  -2.052
  737    H    ILE  93           H        ILE  93   1.425  -1.640  -7.927
  738    HA   ILE  93           HA       ILE  93   3.533  -1.130  -9.895
  739    HB   ILE  93           HB       ILE  93   1.222  -3.112  -9.842
  740   HG12  ILE  93          HG12      ILE  93   4.186  -3.669  -9.350
  741   HG13  ILE  93          HG13      ILE  93   3.082  -3.287  -8.045
  742   HG21  ILE  93          HG21      ILE  93   3.671  -3.059 -11.670
  743   HG22  ILE  93          HG22      ILE  93   2.465  -4.352 -11.605
  744   HG23  ILE  93          HG23      ILE  93   1.990  -2.760 -12.176
  745   HD11  ILE  93          HD11      ILE  93   2.869  -5.700  -9.877
  746   HD12  ILE  93          HD12      ILE  93   3.266  -5.664  -8.153
  747   HD13  ILE  93          HD13      ILE  93   1.635  -5.225  -8.686
  748    H    SER  94           H        SER  94  -0.035  -0.836  -9.933
  749    HA   SER  94           HA       SER  94  -0.075  -0.103 -12.737
  750    HB2  SER  94           HB2      SER  94  -2.246   0.002 -10.615
  751    HB3  SER  94           HB3      SER  94  -2.496   0.130 -12.369
  752    HG   SER  94           HG       SER  94  -1.696  -2.082 -10.808
  753    H    GLN  95           H        GLN  95  -0.393   1.845  -9.734
  754    HA   GLN  95           HA       GLN  95  -1.058   4.247 -11.388
  755    HB2  GLN  95           HB2      GLN  95  -1.268   3.790  -8.388
  756    HB3  GLN  95           HB3      GLN  95  -1.809   5.218  -9.262
  757    HG2  GLN  95           HG2      GLN  95  -2.954   2.404  -9.501
  758    HG3  GLN  95           HG3      GLN  95  -3.715   3.789  -8.733
  759   HE21  GLN  95          HE21      GLN  95  -4.814   2.144 -10.942
  760   HE22  GLN  95          HE22      GLN  95  -5.056   3.276 -12.261
  761    H    LEU  96           H        LEU  96   1.343   3.183  -8.911
  762    HA   LEU  96           HA       LEU  96   2.770   5.757  -9.166
  763    HB2  LEU  96           HB2      LEU  96   3.759   3.269  -7.743
  764    HB3  LEU  96           HB3      LEU  96   4.277   4.920  -7.533
  765    HG   LEU  96           HG       LEU  96   1.576   3.790  -6.686
  766   HD11  LEU  96          HD11      LEU  96   3.938   4.822  -5.059
  767   HD12  LEU  96          HD12      LEU  96   3.501   3.119  -5.301
  768   HD13  LEU  96          HD13      LEU  96   2.404   4.193  -4.417
  769   HD21  LEU  96          HD21      LEU  96   2.657   6.634  -6.431
  770   HD22  LEU  96          HD22      LEU  96   1.225   6.011  -5.587
  771   HD23  LEU  96          HD23      LEU  96   1.227   6.121  -7.351
  772    H    GLY  97           H        GLY  97   2.773   2.736 -10.813
  773    HA2  GLY  97           HA2      GLY  97   3.921   2.120 -12.731
  774    HA3  GLY  97           HA3      GLY  97   4.924   3.588 -12.604
  775    H    LEU  98           H        LEU  98   4.783   1.552  -9.770
  776    HA   LEU  98           HA       LEU  98   7.630   1.014  -9.921
  777    HB2  LEU  98           HB2      LEU  98   5.463   0.114  -7.992
  778    HB3  LEU  98           HB3      LEU  98   7.152  -0.282  -7.784
  779    HG   LEU  98           HG       LEU  98   6.154   2.602  -7.958
  780   HD11  LEU  98          HD11      LEU  98   6.717   0.864  -5.534
  781   HD12  LEU  98          HD12      LEU  98   5.141   1.522  -6.026
  782   HD13  LEU  98          HD13      LEU  98   6.417   2.619  -5.484
  783   HD21  LEU  98          HD21      LEU  98   8.796   1.379  -7.020
  784   HD22  LEU  98          HD22      LEU  98   8.353   3.088  -6.865
  785   HD23  LEU  98          HD23      LEU  98   8.555   2.380  -8.470
  786    H    GLN  99           H        GLN  99   8.561  -1.189  -9.686
  787    HA   GLN  99           HA       GLN  99   7.299  -3.058 -11.635
  788    HB2  GLN  99           HB2      GLN  99  10.045  -3.123 -10.311
  789    HB3  GLN  99           HB3      GLN  99   9.445  -4.239 -11.544
  790    HG2  GLN  99           HG2      GLN  99   9.233  -2.369 -13.157
  791    HG3  GLN  99           HG3      GLN  99   9.862  -1.241 -11.954
  792   HE21  GLN  99          HE21      GLN  99  11.166  -1.404 -14.397
  793   HE22  GLN  99          HE22      GLN  99  12.711  -2.207 -14.157
  794    H    LYS 100           H        LYS 100   6.722  -5.197 -11.052
  795    HA   LYS 100           HA       LYS 100   5.623  -5.614  -8.501
  796    HB2  LYS 100           HB2      LYS 100   4.994  -6.754 -10.550
  797    HB3  LYS 100           HB3      LYS 100   6.487  -7.708 -10.501
  798    HG2  LYS 100           HG2      LYS 100   5.831  -8.821  -8.486
  799    HG3  LYS 100           HG3      LYS 100   4.542  -7.651  -8.136
  800    HD2  LYS 100           HD2      LYS 100   3.246  -8.368 -10.038
  801    HD3  LYS 100           HD3      LYS 100   4.562  -9.389 -10.607
  802    HE2  LYS 100           HE2      LYS 100   3.072  -9.783  -7.960
  803    HE3  LYS 100           HE3      LYS 100   2.616 -10.586  -9.465
  804    HZ1  LYS 100           HZ1      LYS 100   4.805 -11.645  -9.502
  805    HZ2  LYS 100           HZ2      LYS 100   4.007 -12.022  -8.131
  806    HZ3  LYS 100           HZ3      LYS 100   5.221 -10.933  -8.085
  807    H    LYS 101           H        LYS 101   8.856  -6.475  -9.678
  808    HA   LYS 101           HA       LYS 101   9.725  -7.953  -7.384
  809    HB2  LYS 101           HB2      LYS 101  11.911  -7.843  -8.364
  810    HB3  LYS 101           HB3      LYS 101  10.710  -8.168  -9.610
  811    HG2  LYS 101           HG2      LYS 101  10.778  -5.733 -10.254
  812    HG3  LYS 101           HG3      LYS 101  12.076  -5.481  -9.087
  813    HD2  LYS 101           HD2      LYS 101  12.133  -7.385 -11.470
  814    HD3  LYS 101           HD3      LYS 101  12.879  -5.795 -11.442
  815    HE2  LYS 101           HE2      LYS 101  13.663  -8.115  -9.615
  816    HE3  LYS 101           HE3      LYS 101  14.476  -7.695 -11.122
  817    HZ1  LYS 101           HZ1      LYS 101  15.633  -6.730  -9.253
  818    HZ2  LYS 101           HZ2      LYS 101  14.305  -5.927  -8.747
  819    HZ3  LYS 101           HZ3      LYS 101  15.017  -5.525 -10.166
  820    H    ASN 102           H        ASN 102   9.189  -4.553  -7.531
  821    HA   ASN 102           HA       ASN 102  11.147  -3.899  -5.424
  822    HB2  ASN 102           HB2      ASN 102   8.717  -2.326  -6.382
  823    HB3  ASN 102           HB3      ASN 102  10.027  -1.743  -5.356
  824   HD21  ASN 102          HD21      ASN 102  12.343  -2.617  -6.717
  825   HD22  ASN 102          HD22      ASN 102  12.367  -1.816  -8.277
  826    H    ILE 103           H        ILE 103   8.192  -5.610  -5.415
  827    HA   ILE 103           HA       ILE 103   7.425  -4.659  -2.681
  828    HB   ILE 103           HB       ILE 103   5.655  -5.877  -4.830
  829   HG12  ILE 103          HG12      ILE 103   5.918  -2.924  -4.077
  830   HG13  ILE 103          HG13      ILE 103   6.555  -3.640  -5.557
  831   HG21  ILE 103          HG21      ILE 103   3.812  -5.049  -3.374
  832   HG22  ILE 103          HG22      ILE 103   4.825  -6.185  -2.513
  833   HG23  ILE 103          HG23      ILE 103   5.002  -4.444  -2.207
  834   HD11  ILE 103          HD11      ILE 103   4.262  -4.333  -6.211
  835   HD12  ILE 103          HD12      ILE 103   3.637  -3.383  -4.839
  836   HD13  ILE 103          HD13      ILE 103   4.542  -2.585  -6.139
  837    H    LYS 104           H        LYS 104   7.188  -6.033  -1.088
  838    HA   LYS 104           HA       LYS 104   7.313  -8.994  -1.529
  839    HB2  LYS 104           HB2      LYS 104   8.140  -7.308   0.872
  840    HB3  LYS 104           HB3      LYS 104   8.148  -9.071   0.817
  841    HG2  LYS 104           HG2      LYS 104   9.908  -7.273  -0.890
  842    HG3  LYS 104           HG3      LYS 104  10.380  -8.082   0.605
  843    HD2  LYS 104           HD2      LYS 104   9.766 -10.298  -0.540
  844    HD3  LYS 104           HD3      LYS 104   9.665  -9.368  -2.056
  845    HE2  LYS 104           HE2      LYS 104  12.004  -8.540  -1.635
  846    HE3  LYS 104           HE3      LYS 104  12.071  -9.542  -0.179
  847    HZ1  LYS 104           HZ1      LYS 104  11.726 -10.579  -2.943
  848    HZ2  LYS 104           HZ2      LYS 104  11.795 -11.502  -1.593
  849    HZ3  LYS 104           HZ3      LYS 104  13.105 -10.653  -2.072
  850    H    ILE 105           H        ILE 105   5.614 -10.165  -0.728
  851    HA   ILE 105           HA       ILE 105   3.430  -8.729   0.765
  852    HB   ILE 105           HB       ILE 105   3.264 -11.024  -1.228
  853   HG12  ILE 105          HG12      ILE 105   2.131  -8.177  -1.245
  854   HG13  ILE 105          HG13      ILE 105   3.478  -8.757  -2.226
  855   HG21  ILE 105          HG21      ILE 105   1.719 -11.461   0.642
  856   HG22  ILE 105          HG22      ILE 105   1.104  -9.799   0.531
  857   HG23  ILE 105          HG23      ILE 105   0.804 -10.977  -0.769
  858   HD11  ILE 105          HD11      ILE 105   1.899 -10.407  -3.314
  859   HD12  ILE 105          HD12      ILE 105   0.562  -9.562  -2.489
  860   HD13  ILE 105          HD13      ILE 105   1.576  -8.697  -3.645
  861    H    HIS 106           H        HIS 106   3.041  -9.348   2.732
  862    HA   HIS 106           HA       HIS 106   3.964 -12.021   3.735
  863    HB2  HIS 106           HB2      HIS 106   4.085  -9.428   5.289
  864    HB3  HIS 106           HB3      HIS 106   4.770 -10.983   5.740
  865    HD2  HIS 106           HD2      HIS 106   5.500  -7.858   3.692
  866    HE1  HIS 106           HE1      HIS 106   9.022 -10.243   3.555
  867    HE2  HIS 106           HE2      HIS 106   8.059  -7.942   3.078
  868    H    GLY 107           H        GLY 107   2.970 -11.612   6.381
  869    HA2  GLY 107           HA2      GLY 107   1.028 -11.097   7.654
  870    HA3  GLY 107           HA3      GLY 107   0.073 -10.973   6.165
  871    H    PHE 108           H        PHE 108  -1.528 -12.272   6.973
  872    HA   PHE 108           HA       PHE 108  -1.251 -14.728   8.352
  873    HB2  PHE 108           HB2      PHE 108  -3.549 -13.651   6.689
  874    HB3  PHE 108           HB3      PHE 108  -3.661 -14.987   7.824
  875    HD1  PHE 108           HD1      PHE 108  -1.620 -12.986   9.734
  876    HD2  PHE 108           HD2      PHE 108  -5.588 -12.943   8.030
  877    HE1  PHE 108           HE1      PHE 108  -2.358 -11.404  11.479
  878    HE2  PHE 108           HE2      PHE 108  -6.325 -11.375   9.803
  879    HZ   PHE 108           HZ       PHE 108  -4.703 -10.586  11.519
  Start of MODEL    9
    1    H1   MET   1           H        MET   1  34.152 -25.379  21.238
    2    H2   MET   1           H2       MET   1  33.976 -23.780  20.952
    3    H3   MET   1           H3       MET   1  35.355 -24.529  20.557
    4    HA   MET   1           HA       MET   1  34.264 -25.848  18.837
    5    HB2  MET   1           HB2      MET   1  32.111 -25.991  20.039
    6    HB3  MET   1           HB3      MET   1  31.760 -24.309  19.623
    7    HG2  MET   1           HG2      MET   1  31.638 -24.856  17.266
    8    HG3  MET   1           HG3      MET   1  32.306 -26.471  17.550
    9    HE1  MET   1           HE1      MET   1  29.207 -24.121  17.756
   10    HE2  MET   1           HE2      MET   1  28.000 -25.118  18.588
   11    HE3  MET   1           HE3      MET   1  29.396 -24.494  19.483
   12    H    SER   2           H        SER   2  34.591 -25.167  16.738
   13    HA   SER   2           HA       SER   2  35.390 -22.398  16.267
   14    HB2  SER   2           HB2      SER   2  35.829 -23.321  13.964
   15    HB3  SER   2           HB3      SER   2  36.669 -24.158  15.279
   16    HG   SER   2           HG       SER   2  35.689 -25.631  13.785
   17    H    ILE   3           H        ILE   3  32.602 -24.406  15.342
   18    HA   ILE   3           HA       ILE   3  31.343 -22.474  13.621
   19    HB   ILE   3           HB       ILE   3  29.888 -24.601  15.246
   20   HG12  ILE   3          HG12      ILE   3  30.105 -25.827  12.865
   21   HG13  ILE   3          HG13      ILE   3  31.606 -24.921  12.770
   22   HG21  ILE   3          HG21      ILE   3  29.291 -23.292  12.552
   23   HG22  ILE   3          HG22      ILE   3  28.296 -24.521  13.363
   24   HG23  ILE   3          HG23      ILE   3  28.467 -22.927  14.081
   25   HD11  ILE   3          HD11      ILE   3  30.792 -26.871  14.986
   26   HD12  ILE   3          HD12      ILE   3  31.893 -27.225  13.644
   27   HD13  ILE   3          HD13      ILE   3  32.368 -26.056  14.880
   28    H    GLU   4           H        GLU   4  30.022 -20.801  14.044
   29    HA   GLU   4           HA       GLU   4  28.854 -19.170  15.030
   30    HB2  GLU   4           HB2      GLU   4  28.834 -20.670  17.677
   31    HB3  GLU   4           HB3      GLU   4  27.851 -19.297  17.200
   32    HG2  GLU   4           HG2      GLU   4  26.886 -20.726  15.330
   33    HG3  GLU   4           HG3      GLU   4  27.692 -22.111  16.079
   34    H    ASN   5           H        ASN   5  31.990 -19.984  16.018
   35    HA   ASN   5           HA       ASN   5  32.434 -17.944  17.995
   36    HB2  ASN   5           HB2      ASN   5  33.827 -19.982  17.716
   37    HB3  ASN   5           HB3      ASN   5  34.419 -19.357  16.171
   38   HD21  ASN   5          HD21      ASN   5  34.328 -18.683  19.708
   39   HD22  ASN   5          HD22      ASN   5  35.773 -17.690  19.698
   40    H    LEU   6           H        LEU   6  33.198 -15.883  17.842
   41    HA   LEU   6           HA       LEU   6  34.219 -14.634  15.465
   42    HB2  LEU   6           HB2      LEU   6  32.400 -12.969  15.159
   43    HB3  LEU   6           HB3      LEU   6  31.981 -14.599  14.701
   44    HG   LEU   6           HG       LEU   6  30.693 -14.853  16.857
   45   HD11  LEU   6          HD11      LEU   6  31.253 -11.862  17.118
   46   HD12  LEU   6          HD12      LEU   6  31.639 -13.135  18.302
   47   HD13  LEU   6          HD13      LEU   6  29.962 -12.722  17.980
   48   HD21  LEU   6          HD21      LEU   6  28.786 -13.526  16.046
   49   HD22  LEU   6          HD22      LEU   6  29.625 -14.311  14.702
   50   HD23  LEU   6          HD23      LEU   6  29.870 -12.575  15.005
   51    H    LYS   7           H        LYS   7  34.452 -12.198  15.811
   52    HA   LYS   7           HA       LYS   7  35.359 -11.707  18.613
   53    HB2  LYS   7           HB2      LYS   7  37.008 -11.650  16.729
   54    HB3  LYS   7           HB3      LYS   7  36.143 -10.263  16.050
   55    HG2  LYS   7           HG2      LYS   7  36.578  -8.982  18.139
   56    HG3  LYS   7           HG3      LYS   7  37.420 -10.372  18.831
   57    HD2  LYS   7           HD2      LYS   7  38.272  -8.871  16.315
   58    HD3  LYS   7           HD3      LYS   7  38.942  -8.619  17.935
   59    HE2  LYS   7           HE2      LYS   7  39.690 -10.999  17.990
   60    HE3  LYS   7           HE3      LYS   7  39.072 -11.224  16.349
   61    HZ1  LYS   7           HZ1      LYS   7  41.218  -9.322  17.112
   62    HZ2  LYS   7           HZ2      LYS   7  40.642  -9.527  15.594
   63    HZ3  LYS   7           HZ3      LYS   7  41.443 -10.742  16.336
   64    H    SER   8           H        SER   8  34.431 -10.178  19.847
   65    HA   SER   8           HA       SER   8  32.094  -8.675  18.795
   66    HB2  SER   8           HB2      SER   8  31.471  -8.660  21.215
   67    HB3  SER   8           HB3      SER   8  31.665 -10.278  20.531
   68    HG   SER   8           HG       SER   8  32.700 -10.051  22.597
   69    H    PHE   9           H        PHE   9  35.178  -7.785  18.998
   70    HA   PHE   9           HA       PHE   9  35.231  -5.712  20.915
   71    HB2  PHE   9           HB2      PHE   9  37.415  -5.349  20.278
   72    HB3  PHE   9           HB3      PHE   9  37.158  -7.062  20.061
   73    HD1  PHE   9           HD1      PHE   9  35.701  -6.484  17.137
   74    HD2  PHE   9           HD2      PHE   9  39.457  -5.467  19.015
   75    HE1  PHE   9           HE1      PHE   9  36.766  -6.320  14.926
   76    HE2  PHE   9           HE2      PHE   9  40.518  -5.310  16.784
   77    HZ   PHE   9           HZ       PHE   9  39.177  -5.736  14.729
   78    H    ASP  10           H        ASP  10  33.479  -5.445  18.137
   79    HA   ASP  10           HA       ASP  10  33.326  -2.562  18.509
   80    HB2  ASP  10           HB2      ASP  10  33.619  -1.856  16.305
   81    HB3  ASP  10           HB3      ASP  10  34.999  -2.885  16.632
   82    HA   PRO  11           HA       PRO  11  29.069  -3.745  17.962
   83    HB2  PRO  11           HB2      PRO  11  27.799  -1.361  18.106
   84    HB3  PRO  11           HB3      PRO  11  28.729  -2.017  19.481
   85    HG2  PRO  11           HG2      PRO  11  29.645   0.035  17.437
   86    HG3  PRO  11           HG3      PRO  11  29.772   0.115  19.222
   87    HD2  PRO  11           HD2      PRO  11  31.833  -0.755  17.617
   88    HD3  PRO  11           HD3      PRO  11  31.559  -1.390  19.266
   89    H    PHE  12           H        PHE  12  30.381  -1.290  15.729
   90    HA   PHE  12           HA       PHE  12  29.468  -2.270  13.305
   91    HB2  PHE  12           HB2      PHE  12  27.731  -0.616  12.715
   92    HB3  PHE  12           HB3      PHE  12  27.183  -1.705  13.950
   93    HD1  PHE  12           HD1      PHE  12  28.352   1.779  13.292
   94    HD2  PHE  12           HD2      PHE  12  26.501  -0.894  16.127
   95    HE1  PHE  12           HE1      PHE  12  27.729   3.713  14.712
   96    HE2  PHE  12           HE2      PHE  12  25.881   1.046  17.546
   97    HZ   PHE  12           HZ       PHE  12  26.497   3.352  16.844
   98    H    ALA  13           H        ALA  13  29.758  -0.585  11.618
   99    HA   ALA  13           HA       ALA  13  31.274   1.844  12.310
  100    HB1  ALA  13           HB1      ALA  13  33.042   0.140  11.985
  101    HB2  ALA  13           HB2      ALA  13  32.369  -0.265  10.390
  102    HB3  ALA  13           HB3      ALA  13  33.069   1.341  10.681
  103    H    ASP  14           H        ASP  14  31.230   3.446  10.683
  104    HA   ASP  14           HA       ASP  14  28.862   3.373   8.971
  105    HB2  ASP  14           HB2      ASP  14  29.295   5.725   8.643
  106    HB3  ASP  14           HB3      ASP  14  29.355   5.325  10.352
  107    H    THR  15           H        THR  15  28.788   3.818   6.752
  108    HA   THR  15           HA       THR  15  31.107   2.882   5.154
  109    HB   THR  15           HB       THR  15  29.391   2.769   3.309
  110    HG1  THR  15           HG1      THR  15  27.226   2.877   3.955
  111   HG21  THR  15          HG21      THR  15  28.748   1.138   5.812
  112   HG22  THR  15          HG22      THR  15  30.030   0.770   4.636
  113   HG23  THR  15          HG23      THR  15  28.332   0.719   4.136
  114    H    GLY  16           H        GLY  16  31.876   3.973   3.381
  115    HA2  GLY  16           HA2      GLY  16  31.663   6.936   3.481
  116    HA3  GLY  16           HA3      GLY  16  32.913   5.965   2.673
  117    H    ASP  17           H        ASP  17  30.136   4.541   1.697
  118    HA   ASP  17           HA       ASP  17  29.275   6.278  -0.464
  119    HB2  ASP  17           HB2      ASP  17  31.548   5.596  -1.257
  120    HB3  ASP  17           HB3      ASP  17  31.083   3.906  -1.094
  121    H    ASP  18           H        ASP  18  27.606   5.312  -1.758
  122    HA   ASP  18           HA       ASP  18  26.587   2.652  -1.243
  123    HB2  ASP  18           HB2      ASP  18  25.778   3.934   0.773
  124    HB3  ASP  18           HB3      ASP  18  24.920   5.024  -0.313
  125    H    GLU  19           H        GLU  19  24.658   2.191  -2.564
  126    HA   GLU  19           HA       GLU  19  25.030   3.281  -5.244
  127    HB2  GLU  19           HB2      GLU  19  23.130   1.165  -4.162
  128    HB3  GLU  19           HB3      GLU  19  23.278   1.615  -5.868
  129    HG2  GLU  19           HG2      GLU  19  25.698   1.005  -5.808
  130    HG3  GLU  19           HG3      GLU  19  25.512   0.473  -4.133
  131    H    THR  20           H        THR  20  23.766   4.594  -6.411
  132    HA   THR  20           HA       THR  20  21.524   6.029  -5.099
  133    HB   THR  20           HB       THR  20  21.880   7.630  -7.002
  134    HG1  THR  20           HG1      THR  20  23.776   7.321  -8.224
  135   HG21  THR  20          HG21      THR  20  22.986   7.966  -4.799
  136   HG22  THR  20          HG22      THR  20  23.968   8.571  -6.142
  137   HG23  THR  20          HG23      THR  20  24.389   7.030  -5.362
  138    H    ALA  21           H        ALA  21  22.099   3.909  -7.847
  139    HA   ALA  21           HA       ALA  21  19.611   4.536  -9.194
  140    HB1  ALA  21           HB1      ALA  21  21.613   2.261  -9.587
  141    HB2  ALA  21           HB2      ALA  21  20.360   2.767 -10.739
  142    HB3  ALA  21           HB3      ALA  21  21.696   3.865 -10.355
  143    H    THR  22           H        THR  22  20.211   2.541  -6.502
  144    HA   THR  22           HA       THR  22  18.172   0.488  -7.043
  145    HB   THR  22           HB       THR  22  18.821  -0.282  -4.732
  146    HG1  THR  22           HG1      THR  22  20.563   0.739  -3.769
  147   HG21  THR  22          HG21      THR  22  19.954  -1.172  -6.758
  148   HG22  THR  22          HG22      THR  22  21.033  -1.101  -5.357
  149   HG23  THR  22          HG23      THR  22  21.171   0.117  -6.642
  150    H    SER  23           H        SER  23  16.659   0.006  -5.127
  151    HA   SER  23           HA       SER  23  15.611   2.340  -3.708
  152    HB2  SER  23           HB2      SER  23  13.308   2.063  -4.540
  153    HB3  SER  23           HB3      SER  23  14.419   2.608  -5.798
  154    HG   SER  23           HG       SER  23  14.474   0.494  -6.629
  155    H    ASN  24           H        ASN  24  14.038   1.793  -2.068
  156    HA   ASN  24           HA       ASN  24  14.723  -0.708  -0.766
  157    HB2  ASN  24           HB2      ASN  24  14.512   1.509   0.381
  158    HB3  ASN  24           HB3      ASN  24  12.775   1.478   0.063
  159   HD21  ASN  24          HD21      ASN  24  11.519   0.576   1.690
  160   HD22  ASN  24          HD22      ASN  24  12.145  -0.514   2.917
  161    H    TYR  25           H        TYR  25  13.292  -2.378  -0.076
  162    HA   TYR  25           HA       TYR  25  11.153  -3.056  -1.915
  163    HB2  TYR  25           HB2      TYR  25  12.177  -4.302   0.650
  164    HB3  TYR  25           HB3      TYR  25  10.769  -4.921  -0.191
  165    HD1  TYR  25           HD1      TYR  25  10.945  -5.694  -2.586
  166    HD2  TYR  25           HD2      TYR  25  14.383  -4.926  -0.097
  167    HE1  TYR  25           HE1      TYR  25  12.353  -7.132  -4.069
  168    HE2  TYR  25           HE2      TYR  25  15.786  -6.345  -1.581
  169    HH   TYR  25           HH       TYR  25  15.838  -7.686  -3.454
  170    H    ILE  26           H        ILE  26   9.014  -2.929  -1.713
  171    HA   ILE  26           HA       ILE  26   7.798  -1.560   0.658
  172    HB   ILE  26           HB       ILE  26   6.454  -2.438  -1.926
  173   HG12  ILE  26          HG12      ILE  26   7.894   0.111  -1.180
  174   HG13  ILE  26          HG13      ILE  26   8.070  -0.867  -2.627
  175   HG21  ILE  26          HG21      ILE  26   4.625  -0.980  -1.173
  176   HG22  ILE  26          HG22      ILE  26   4.974  -2.148   0.088
  177   HG23  ILE  26          HG23      ILE  26   5.567  -0.484   0.252
  178   HD11  ILE  26          HD11      ILE  26   6.965   1.209  -3.167
  179   HD12  ILE  26          HD12      ILE  26   5.823  -0.139  -3.401
  180   HD13  ILE  26          HD13      ILE  26   5.701   0.921  -1.973
  181    H    HIS  27           H        HIS  27   7.026  -2.763   2.261
  182    HA   HIS  27           HA       HIS  27   6.490  -5.678   1.802
  183    HB2  HIS  27           HB2      HIS  27   7.178  -4.180   4.352
  184    HB3  HIS  27           HB3      HIS  27   6.836  -5.901   4.226
  185    HD2  HIS  27           HD2      HIS  27   9.581  -3.323   3.685
  186    HE1  HIS  27           HE1      HIS  27  11.293  -7.087   2.676
  187    HE2  HIS  27           HE2      HIS  27  11.791  -4.625   3.107
  188    H    ILE  28           H        ILE  28   4.390  -6.041   1.478
  189    HA   ILE  28           HA       ILE  28   2.341  -4.399   2.946
  190    HB   ILE  28           HB       ILE  28   1.886  -6.169   0.519
  191   HG12  ILE  28          HG12      ILE  28   2.189  -3.126   0.565
  192   HG13  ILE  28          HG13      ILE  28   3.442  -4.229  -0.007
  193   HG21  ILE  28          HG21      ILE  28  -0.265  -4.857   0.444
  194   HG22  ILE  28          HG22      ILE  28  -0.107  -5.746   1.952
  195   HG23  ILE  28          HG23      ILE  28   0.209  -4.005   1.911
  196   HD11  ILE  28          HD11      ILE  28   1.927  -5.106  -1.743
  197   HD12  ILE  28          HD12      ILE  28   0.713  -3.904  -1.266
  198   HD13  ILE  28          HD13      ILE  28   2.271  -3.370  -1.908
  199    H    ARG  29           H        ARG  29   2.128  -5.278   4.827
  200    HA   ARG  29           HA       ARG  29   2.052  -8.229   5.240
  201    HB2  ARG  29           HB2      ARG  29   2.512  -5.975   7.238
  202    HB3  ARG  29           HB3      ARG  29   2.738  -7.703   7.520
  203    HG2  ARG  29           HG2      ARG  29   4.633  -7.668   5.880
  204    HG3  ARG  29           HG3      ARG  29   4.416  -5.919   5.694
  205    HD2  ARG  29           HD2      ARG  29   4.782  -5.656   8.156
  206    HD3  ARG  29           HD3      ARG  29   5.128  -7.384   8.274
  207    HE   ARG  29           HE       ARG  29   6.862  -5.265   7.259
  208   HH11  ARG  29          HH11      ARG  29   6.406  -8.779   7.050
  209   HH12  ARG  29          HH12      ARG  29   8.044  -9.021   6.529
  210   HH21  ARG  29          HH21      ARG  29   8.851  -5.624   6.639
  211   HH22  ARG  29          HH22      ARG  29   9.445  -7.235   6.282
  212    H    ILE  30           H        ILE  30   0.716  -8.783   7.296
  213    HA   ILE  30           HA       ILE  30  -1.780  -7.136   7.497
  214    HB   ILE  30           HB       ILE  30  -1.511 -10.154   7.648
  215   HG12  ILE  30          HG12      ILE  30  -3.153  -8.381   5.780
  216   HG13  ILE  30          HG13      ILE  30  -1.649  -9.191   5.345
  217   HG21  ILE  30          HG21      ILE  30  -3.951 -10.195   8.155
  218   HG22  ILE  30          HG22      ILE  30  -3.046  -9.412   9.417
  219   HG23  ILE  30          HG23      ILE  30  -3.955  -8.425   8.247
  220   HD11  ILE  30          HD11      ILE  30  -2.723 -11.408   5.786
  221   HD12  ILE  30          HD12      ILE  30  -4.275 -10.565   6.026
  222   HD13  ILE  30          HD13      ILE  30  -3.469 -10.483   4.465
  223    H    GLN  31           H        GLN  31  -2.501  -6.746   9.585
  224    HA   GLN  31           HA       GLN  31  -0.517  -7.183  11.768
  225    HB2  GLN  31           HB2      GLN  31  -1.403  -4.889  11.319
  226    HB3  GLN  31           HB3      GLN  31  -3.029  -5.464  11.728
  227    HG2  GLN  31           HG2      GLN  31  -2.339  -5.976  14.012
  228    HG3  GLN  31           HG3      GLN  31  -0.650  -5.614  13.628
  229   HE21  GLN  31          HE21      GLN  31  -0.266  -3.247  12.808
  230   HE22  GLN  31          HE22      GLN  31  -1.194  -2.020  13.649
  231    H    GLN  32           H        GLN  32  -0.968  -8.404  13.562
  232    HA   GLN  32           HA       GLN  32  -2.759 -10.566  13.135
  233    HB2  GLN  32           HB2      GLN  32  -1.836 -11.517  15.105
  234    HB3  GLN  32           HB3      GLN  32  -0.531 -10.758  14.214
  235    HG2  GLN  32           HG2      GLN  32  -1.899  -9.610  16.698
  236    HG3  GLN  32           HG3      GLN  32  -0.383 -10.485  16.687
  237   HE21  GLN  32          HE21      GLN  32  -0.615  -7.865  17.790
  238   HE22  GLN  32          HE22      GLN  32   0.371  -6.809  16.789
  239    H    ARG  33           H        ARG  33  -4.467 -11.363  14.324
  240    HA   ARG  33           HA       ARG  33  -6.411  -9.316  14.962
  241    HB2  ARG  33           HB2      ARG  33  -6.546 -12.358  14.903
  242    HB3  ARG  33           HB3      ARG  33  -7.942 -11.303  15.175
  243    HG2  ARG  33           HG2      ARG  33  -7.688 -10.264  12.990
  244    HG3  ARG  33           HG3      ARG  33  -6.183 -11.148  12.683
  245    HD2  ARG  33           HD2      ARG  33  -7.370 -13.285  12.726
  246    HD3  ARG  33           HD3      ARG  33  -8.902 -12.454  13.077
  247    HE   ARG  33           HE       ARG  33  -8.215 -11.162  10.847
  248   HH11  ARG  33          HH11      ARG  33  -8.166 -14.675  11.340
  249   HH12  ARG  33          HH12      ARG  33  -8.408 -14.983   9.646
  250   HH21  ARG  33          HH21      ARG  33  -8.552 -11.605   8.783
  251   HH22  ARG  33          HH22      ARG  33  -8.624 -13.247   8.185
  252    H    ASN  34           H        ASN  34  -7.359  -8.817  16.817
  253    HA   ASN  34           HA       ASN  34  -7.114 -10.240  19.324
  254    HB2  ASN  34           HB2      ASN  34  -4.819  -9.182  19.057
  255    HB3  ASN  34           HB3      ASN  34  -5.586  -7.604  19.095
  256   HD21  ASN  34          HD21      ASN  34  -5.136 -10.654  20.980
  257   HD22  ASN  34          HD22      ASN  34  -5.297  -9.879  22.546
  258    H    GLY  35           H        GLY  35  -7.377  -7.142  20.400
  259    HA2  GLY  35           HA2      GLY  35 -10.279  -6.945  20.222
  260    HA3  GLY  35           HA3      GLY  35  -9.153  -5.724  20.866
  261    H    ARG  36           H        ARG  36  -7.636  -5.835  18.231
  262    HA   ARG  36           HA       ARG  36  -9.336  -4.054  16.585
  263    HB2  ARG  36           HB2      ARG  36  -6.441  -4.877  16.134
  264    HB3  ARG  36           HB3      ARG  36  -7.339  -3.596  15.311
  265    HG2  ARG  36           HG2      ARG  36  -7.595  -2.459  17.602
  266    HG3  ARG  36           HG3      ARG  36  -6.466  -3.670  18.226
  267    HD2  ARG  36           HD2      ARG  36  -5.080  -1.863  17.756
  268    HD3  ARG  36           HD3      ARG  36  -4.858  -2.920  16.357
  269    HE   ARG  36           HE       ARG  36  -6.881  -0.725  16.243
  270   HH11  ARG  36          HH11      ARG  36  -3.776  -1.945  14.960
  271   HH12  ARG  36          HH12      ARG  36  -3.681  -0.582  13.863
  272   HH21  ARG  36          HH21      ARG  36  -6.599   0.923  14.694
  273   HH22  ARG  36          HH22      ARG  36  -5.160   0.895  13.695
  274    H    LYS  37           H        LYS  37  -9.720  -4.447  14.389
  275    HA   LYS  37           HA       LYS  37 -10.283  -7.198  13.597
  276    HB2  LYS  37           HB2      LYS  37 -10.437  -4.572  12.052
  277    HB3  LYS  37           HB3      LYS  37 -11.148  -6.107  11.541
  278    HG2  LYS  37           HG2      LYS  37 -12.565  -6.107  13.620
  279    HG3  LYS  37           HG3      LYS  37 -11.989  -4.470  13.965
  280    HD2  LYS  37           HD2      LYS  37 -13.508  -5.352  11.472
  281    HD3  LYS  37           HD3      LYS  37 -14.181  -4.457  12.840
  282    HE2  LYS  37           HE2      LYS  37 -12.628  -2.569  12.383
  283    HE3  LYS  37           HE3      LYS  37 -11.942  -3.458  11.018
  284    HZ1  LYS  37           HZ1      LYS  37 -13.594  -1.901  10.259
  285    HZ2  LYS  37           HZ2      LYS  37 -14.755  -2.549  11.212
  286    HZ3  LYS  37           HZ3      LYS  37 -14.134  -3.413   9.968
  287    H    THR  38           H        THR  38  -9.748  -7.581  11.065
  288    HA   THR  38           HA       THR  38  -6.876  -7.963  10.725
  289    HB   THR  38           HB       THR  38  -9.010  -8.045   8.546
  290    HG1  THR  38           HG1      THR  38  -9.771  -9.526   9.880
  291   HG21  THR  38          HG21      THR  38  -7.486  -9.727   7.561
  292   HG22  THR  38          HG22      THR  38  -6.341  -9.487   8.899
  293   HG23  THR  38          HG23      THR  38  -6.668  -8.170   7.745
  294    H    LEU  39           H        LEU  39  -5.447  -6.542   9.879
  295    HA   LEU  39           HA       LEU  39  -6.378  -4.211   8.269
  296    HB2  LEU  39           HB2      LEU  39  -4.438  -4.132  10.623
  297    HB3  LEU  39           HB3      LEU  39  -4.725  -2.792   9.532
  298    HG   LEU  39           HG       LEU  39  -6.845  -4.006  11.361
  299   HD11  LEU  39          HD11      LEU  39  -5.026  -2.957  12.635
  300   HD12  LEU  39          HD12      LEU  39  -6.517  -2.008  12.742
  301   HD13  LEU  39          HD13      LEU  39  -5.198  -1.468  11.678
  302   HD21  LEU  39          HD21      LEU  39  -6.847  -1.459   9.676
  303   HD22  LEU  39          HD22      LEU  39  -8.088  -1.906  10.869
  304   HD23  LEU  39          HD23      LEU  39  -7.858  -2.901   9.431
  305    H    THR  40           H        THR  40  -5.021  -3.635   6.652
  306    HA   THR  40           HA       THR  40  -2.659  -5.368   6.074
  307    HB   THR  40           HB       THR  40  -4.249  -3.429   4.362
  308    HG1  THR  40           HG1      THR  40  -5.115  -5.452   4.946
  309   HG21  THR  40          HG21      THR  40  -1.889  -3.427   3.568
  310   HG22  THR  40          HG22      THR  40  -2.920  -4.357   2.472
  311   HG23  THR  40          HG23      THR  40  -1.870  -5.207   3.628
  312    H    THR  41           H        THR  41  -0.758  -4.697   6.766
  313    HA   THR  41           HA       THR  41  -0.260  -1.834   7.368
  314    HB   THR  41           HB       THR  41   1.858  -3.024   8.460
  315    HG1  THR  41           HG1      THR  41   1.197  -5.004   9.360
  316   HG21  THR  41          HG21      THR  41   0.146  -1.624   9.568
  317   HG22  THR  41          HG22      THR  41   0.591  -3.024  10.562
  318   HG23  THR  41          HG23      THR  41  -0.947  -3.024   9.658
  319    H    VAL  42           H        VAL  42   0.596  -0.723   5.848
  320    HA   VAL  42           HA       VAL  42   2.428  -1.991   3.848
  321    HB   VAL  42           HB       VAL  42   1.349   0.840   3.797
  322   HG11  VAL  42          HG11      VAL  42   2.627  -0.912   1.648
  323   HG12  VAL  42          HG12      VAL  42   1.954   0.715   1.396
  324   HG13  VAL  42          HG13      VAL  42   3.372   0.499   2.423
  325   HG21  VAL  42          HG21      VAL  42  -0.276   0.040   2.116
  326   HG22  VAL  42          HG22      VAL  42   0.247  -1.637   2.418
  327   HG23  VAL  42          HG23      VAL  42  -0.569  -0.700   3.689
  328    H    GLN  43           H        GLN  43   4.518  -1.793   4.034
  329    HA   GLN  43           HA       GLN  43   5.800   0.375   5.665
  330    HB2  GLN  43           HB2      GLN  43   5.563  -1.719   6.949
  331    HB3  GLN  43           HB3      GLN  43   6.245  -2.640   5.622
  332    HG2  GLN  43           HG2      GLN  43   8.443  -1.447   5.964
  333    HG3  GLN  43           HG3      GLN  43   7.722  -0.613   7.350
  334   HE21  GLN  43          HE21      GLN  43   8.200  -1.643   9.314
  335   HE22  GLN  43          HE22      GLN  43   8.549  -3.370   9.436
  336    H    GLY  44           H        GLY  44   7.958   0.931   5.008
  337    HA2  GLY  44           HA2      GLY  44   9.872   0.953   3.749
  338    HA3  GLY  44           HA3      GLY  44   9.336  -0.552   2.974
  339    H    VAL  45           H        VAL  45   6.921   1.579   2.339
  340    HA   VAL  45           HA       VAL  45   7.483   1.990  -0.376
  341    HB   VAL  45           HB       VAL  45   5.260   2.169   0.451
  342   HG11  VAL  45          HG11      VAL  45   4.362   4.090   1.613
  343   HG12  VAL  45          HG12      VAL  45   5.651   3.378   2.593
  344   HG13  VAL  45          HG13      VAL  45   5.953   4.868   1.667
  345   HG21  VAL  45          HG21      VAL  45   4.474   4.038  -0.886
  346   HG22  VAL  45          HG22      VAL  45   6.074   4.806  -0.842
  347   HG23  VAL  45          HG23      VAL  45   5.835   3.271  -1.707
  348    HA   PRO  46           HA       PRO  46  10.775   5.029  -0.427
  349    HB2  PRO  46           HB2      PRO  46   9.412   5.773  -3.023
  350    HB3  PRO  46           HB3      PRO  46  11.138   5.621  -2.698
  351    HG2  PRO  46           HG2      PRO  46   9.848   3.590  -3.912
  352    HG3  PRO  46           HG3      PRO  46  10.972   3.213  -2.563
  353    HD2  PRO  46           HD2      PRO  46   7.951   3.432  -2.486
  354    HD3  PRO  46           HD3      PRO  46   9.028   2.206  -1.750
  355    H    GLU  47           H        GLU  47  11.043   6.962   0.342
  356    HA   GLU  47           HA       GLU  47   8.887   8.370   1.455
  357    HB2  GLU  47           HB2      GLU  47  11.781   9.233   1.034
  358    HB3  GLU  47           HB3      GLU  47  10.650   9.940   2.198
  359    HG2  GLU  47           HG2      GLU  47  11.554   8.516   3.671
  360    HG3  GLU  47           HG3      GLU  47  10.510   7.306   2.931
  361    H    GLU  48           H        GLU  48  10.121   8.711  -1.694
  362    HA   GLU  48           HA       GLU  48   9.374  11.476  -2.202
  363    HB2  GLU  48           HB2      GLU  48   9.717  10.969  -4.526
  364    HB3  GLU  48           HB3      GLU  48  11.040  10.309  -3.569
  365    HG2  GLU  48           HG2      GLU  48   9.978   8.040  -3.713
  366    HG3  GLU  48           HG3      GLU  48   8.706   8.720  -4.734
  367    H    TYR  49           H        TYR  49   7.540   8.547  -1.856
  368    HA   TYR  49           HA       TYR  49   5.139   9.666  -3.201
  369    HB2  TYR  49           HB2      TYR  49   5.612   6.963  -1.897
  370    HB3  TYR  49           HB3      TYR  49   4.186   7.457  -2.788
  371    HD1  TYR  49           HD1      TYR  49   4.671   8.353  -5.272
  372    HD2  TYR  49           HD2      TYR  49   7.263   5.710  -3.054
  373    HE1  TYR  49           HE1      TYR  49   5.635   7.514  -7.403
  374    HE2  TYR  49           HE2      TYR  49   8.208   4.856  -5.185
  375    HH   TYR  49           HH       TYR  49   7.088   6.021  -8.386
  376    H    ASP  50           H        ASP  50   3.644  10.739  -2.043
  377    HA   ASP  50           HA       ASP  50   3.887  11.082   0.831
  378    HB2  ASP  50           HB2      ASP  50   1.784  11.996  -1.168
  379    HB3  ASP  50           HB3      ASP  50   1.771  12.413   0.544
  380    H    LEU  51           H        LEU  51   3.068   9.846   2.393
  381    HA   LEU  51           HA       LEU  51   1.464   7.538   1.948
  382    HB2  LEU  51           HB2      LEU  51   1.797   9.167   4.503
  383    HB3  LEU  51           HB3      LEU  51   1.224   7.503   4.400
  384    HG   LEU  51           HG       LEU  51   4.033   8.523   3.831
  385   HD11  LEU  51          HD11      LEU  51   2.911   6.654   5.968
  386   HD12  LEU  51          HD12      LEU  51   3.391   8.349   6.210
  387   HD13  LEU  51          HD13      LEU  51   4.612   7.133   5.787
  388   HD21  LEU  51          HD21      LEU  51   4.701   6.169   3.524
  389   HD22  LEU  51          HD22      LEU  51   3.583   6.680   2.257
  390   HD23  LEU  51          HD23      LEU  51   3.007   5.659   3.598
  391    H    LYS  52           H        LYS  52   0.514  10.820   2.915
  392    HA   LYS  52           HA       LYS  52  -2.285  10.399   3.221
  393    HB2  LYS  52           HB2      LYS  52  -0.704  12.844   2.311
  394    HB3  LYS  52           HB3      LYS  52  -2.429  12.851   2.711
  395    HG2  LYS  52           HG2      LYS  52  -1.931  12.105   5.018
  396    HG3  LYS  52           HG3      LYS  52  -0.208  12.032   4.641
  397    HD2  LYS  52           HD2      LYS  52  -0.640  14.056   5.854
  398    HD3  LYS  52           HD3      LYS  52  -0.189  14.472   4.195
  399    HE2  LYS  52           HE2      LYS  52  -2.586  14.814   3.625
  400    HE3  LYS  52           HE3      LYS  52  -3.050  14.339   5.265
  401    HZ1  LYS  52           HZ1      LYS  52  -1.393  16.708   4.581
  402    HZ2  LYS  52           HZ2      LYS  52  -1.827  16.272   6.097
  403    HZ3  LYS  52           HZ3      LYS  52  -2.964  16.750   5.027
  404    H    ARG  53           H        ARG  53  -0.407  10.941   0.204
  405    HA   ARG  53           HA       ARG  53  -2.750  11.063  -1.492
  406    HB2  ARG  53           HB2      ARG  53  -0.605  11.972  -2.227
  407    HB3  ARG  53           HB3      ARG  53   0.140  10.378  -2.151
  408    HG2  ARG  53           HG2      ARG  53  -0.350  10.989  -4.447
  409    HG3  ARG  53           HG3      ARG  53  -1.267   9.562  -3.977
  410    HD2  ARG  53           HD2      ARG  53  -3.294  10.973  -3.656
  411    HD3  ARG  53           HD3      ARG  53  -2.355  12.408  -4.127
  412    HE   ARG  53           HE       ARG  53  -2.053  10.513  -6.185
  413   HH11  ARG  53          HH11      ARG  53  -4.716  12.423  -4.851
  414   HH12  ARG  53          HH12      ARG  53  -5.609  12.383  -6.340
  415   HH21  ARG  53          HH21      ARG  53  -3.252  10.510  -8.077
  416   HH22  ARG  53          HH22      ARG  53  -4.785  11.322  -8.142
  417    H    ILE  54           H        ILE  54  -0.671   8.371  -0.360
  418    HA   ILE  54           HA       ILE  54  -1.937   6.257  -1.872
  419    HB   ILE  54           HB       ILE  54  -0.579   6.141   0.846
  420   HG12  ILE  54          HG12      ILE  54   0.507   5.539  -1.940
  421   HG13  ILE  54          HG13      ILE  54   0.851   6.996  -1.037
  422   HG21  ILE  54          HG21      ILE  54  -1.412   3.935  -1.081
  423   HG22  ILE  54          HG22      ILE  54  -0.360   3.693   0.329
  424   HG23  ILE  54          HG23      ILE  54  -2.021   4.207   0.562
  425   HD11  ILE  54          HD11      ILE  54   2.724   5.590  -0.784
  426   HD12  ILE  54          HD12      ILE  54   1.888   5.591   0.777
  427   HD13  ILE  54          HD13      ILE  54   1.740   4.196  -0.315
  428    H    LEU  55           H        LEU  55  -2.738   7.589   1.423
  429    HA   LEU  55           HA       LEU  55  -5.089   6.068   1.797
  430    HB2  LEU  55           HB2      LEU  55  -4.783   8.989   2.616
  431    HB3  LEU  55           HB3      LEU  55  -5.850   7.779   3.276
  432    HG   LEU  55           HG       LEU  55  -2.908   8.160   3.745
  433   HD11  LEU  55          HD11      LEU  55  -5.294   7.709   5.580
  434   HD12  LEU  55          HD12      LEU  55  -4.574   9.284   5.176
  435   HD13  LEU  55          HD13      LEU  55  -3.637   8.091   6.089
  436   HD21  LEU  55          HD21      LEU  55  -4.416   5.579   4.331
  437   HD22  LEU  55          HD22      LEU  55  -2.837   6.041   5.012
  438   HD23  LEU  55          HD23      LEU  55  -2.986   5.788   3.272
  439    H    LYS  56           H        LYS  56  -4.789   9.261   0.110
  440    HA   LYS  56           HA       LYS  56  -7.585   9.492  -0.424
  441    HB2  LYS  56           HB2      LYS  56  -5.123  10.684  -1.761
  442    HB3  LYS  56           HB3      LYS  56  -6.748  11.094  -2.272
  443    HG2  LYS  56           HG2      LYS  56  -5.667  11.513   0.549
  444    HG3  LYS  56           HG3      LYS  56  -5.720  12.745  -0.702
  445    HD2  LYS  56           HD2      LYS  56  -8.134  11.392   0.585
  446    HD3  LYS  56           HD3      LYS  56  -7.527  13.014   0.910
  447    HE2  LYS  56           HE2      LYS  56  -7.943  13.639  -1.480
  448    HE3  LYS  56           HE3      LYS  56  -8.639  12.037  -1.762
  449    HZ1  LYS  56           HZ1      LYS  56 -10.356  13.675  -1.288
  450    HZ2  LYS  56           HZ2      LYS  56  -9.694  14.041   0.157
  451    HZ3  LYS  56           HZ3      LYS  56 -10.339  12.559  -0.096
  452    H    VAL  57           H        VAL  57  -5.032   8.006  -2.450
  453    HA   VAL  57           HA       VAL  57  -6.814   7.491  -4.669
  454    HB   VAL  57           HB       VAL  57  -4.234   6.064  -3.913
  455   HG11  VAL  57          HG11      VAL  57  -5.948   5.917  -6.436
  456   HG12  VAL  57          HG12      VAL  57  -4.248   5.441  -6.405
  457   HG13  VAL  57          HG13      VAL  57  -5.411   4.568  -5.404
  458   HG21  VAL  57          HG21      VAL  57  -4.031   8.507  -4.419
  459   HG22  VAL  57          HG22      VAL  57  -3.219   7.489  -5.613
  460   HG23  VAL  57          HG23      VAL  57  -4.796   8.226  -5.989
  461    H    LEU  58           H        LEU  58  -5.797   5.413  -1.915
  462    HA   LEU  58           HA       LEU  58  -7.365   3.143  -2.795
  463    HB2  LEU  58           HB2      LEU  58  -6.166   3.807  -0.078
  464    HB3  LEU  58           HB3      LEU  58  -6.789   2.229  -0.567
  465    HG   LEU  58           HG       LEU  58  -4.397   3.646  -1.847
  466   HD11  LEU  58          HD11      LEU  58  -4.494   1.199  -0.072
  467   HD12  LEU  58          HD12      LEU  58  -4.002   2.817   0.467
  468   HD13  LEU  58          HD13      LEU  58  -3.045   1.954  -0.754
  469   HD21  LEU  58          HD21      LEU  58  -3.986   1.432  -2.928
  470   HD22  LEU  58          HD22      LEU  58  -5.375   2.321  -3.552
  471   HD23  LEU  58          HD23      LEU  58  -5.625   0.941  -2.446
  472    H    LYS  59           H        LYS  59  -8.168   5.868  -0.625
  473    HA   LYS  59           HA       LYS  59 -10.790   4.777   0.058
  474    HB2  LYS  59           HB2      LYS  59  -9.592   7.574   0.205
  475    HB3  LYS  59           HB3      LYS  59 -11.212   7.157   0.787
  476    HG2  LYS  59           HG2      LYS  59 -10.285   5.481   2.316
  477    HG3  LYS  59           HG3      LYS  59  -8.650   5.821   1.777
  478    HD2  LYS  59           HD2      LYS  59  -8.976   8.238   2.525
  479    HD3  LYS  59           HD3      LYS  59 -10.510   7.716   3.263
  480    HE2  LYS  59           HE2      LYS  59  -9.189   5.961   4.535
  481    HE3  LYS  59           HE3      LYS  59  -7.706   6.665   3.892
  482    HZ1  LYS  59           HZ1      LYS  59  -8.330   8.753   5.033
  483    HZ2  LYS  59           HZ2      LYS  59  -8.192   7.507   6.094
  484    HZ3  LYS  59           HZ3      LYS  59  -9.672   8.039   5.645
  485    H    LYS  60           H        LYS  60  -9.609   6.807  -2.613
  486    HA   LYS  60           HA       LYS  60 -12.239   7.458  -3.645
  487    HB2  LYS  60           HB2      LYS  60 -10.321   8.899  -3.999
  488    HB3  LYS  60           HB3      LYS  60  -9.428   7.607  -4.810
  489    HG2  LYS  60           HG2      LYS  60 -11.081   7.618  -6.661
  490    HG3  LYS  60           HG3      LYS  60 -11.982   8.911  -5.853
  491    HD2  LYS  60           HD2      LYS  60 -10.127  10.442  -6.074
  492    HD3  LYS  60           HD3      LYS  60  -9.035   9.167  -6.631
  493    HE2  LYS  60           HE2      LYS  60 -11.564   9.948  -8.149
  494    HE3  LYS  60           HE3      LYS  60 -10.014  10.757  -8.406
  495    HZ1  LYS  60           HZ1      LYS  60  -9.048   8.625  -9.024
  496    HZ2  LYS  60           HZ2      LYS  60 -10.328   8.955  -9.990
  497    HZ3  LYS  60           HZ3      LYS  60 -10.448   7.837  -8.798
  498    H    ASP  61           H        ASP  61  -9.699   5.348  -5.078
  499    HA   ASP  61           HA       ASP  61 -11.675   4.375  -7.032
  500    HB2  ASP  61           HB2      ASP  61  -8.669   4.015  -6.789
  501    HB3  ASP  61           HB3      ASP  61  -9.653   3.425  -8.131
  502    H    PHE  62           H        PHE  62  -9.818   2.921  -4.348
  503    HA   PHE  62           HA       PHE  62 -10.879   0.225  -4.993
  504    HB2  PHE  62           HB2      PHE  62  -8.989   1.227  -2.831
  505    HB3  PHE  62           HB3      PHE  62  -9.556  -0.413  -2.970
  506    HD1  PHE  62           HD1      PHE  62  -7.698   2.220  -4.934
  507    HD2  PHE  62           HD2      PHE  62  -8.371  -1.977  -4.199
  508    HE1  PHE  62           HE1      PHE  62  -5.735   1.657  -6.328
  509    HE2  PHE  62           HE2      PHE  62  -6.393  -2.525  -5.586
  510    HZ   PHE  62           HZ       PHE  62  -5.076  -0.728  -6.657
  511    H    ALA  63           H        ALA  63 -11.845   2.943  -3.178
  512    HA   ALA  63           HA       ALA  63 -13.432   3.396  -1.637
  513    HB1  ALA  63           HB1      ALA  63 -15.481   2.105  -1.661
  514    HB2  ALA  63           HB2      ALA  63 -14.864   2.244  -3.315
  515    HB3  ALA  63           HB3      ALA  63 -14.668   0.723  -2.413
  516    H    CYS  64           H        CYS  64 -11.000   2.195  -0.692
  517    HA   CYS  64           HA       CYS  64 -11.709   0.434   1.579
  518    HB2  CYS  64           HB2      CYS  64  -9.084   1.608   0.527
  519    HB3  CYS  64           HB3      CYS  64  -9.193   0.556   1.944
  520    HG   CYS  64           HG       CYS  64 -10.399  -1.453   0.720
  521    H    ASN  65           H        ASN  65 -10.134   1.244   3.574
  522    HA   ASN  65           HA       ASN  65 -10.280   4.097   4.060
  523    HB2  ASN  65           HB2      ASN  65 -12.529   3.250   4.859
  524    HB3  ASN  65           HB3      ASN  65 -11.677   2.247   6.030
  525   HD21  ASN  65          HD21      ASN  65 -13.013   3.537   7.616
  526   HD22  ASN  65          HD22      ASN  65 -12.399   5.107   8.106
  527    H    GLY  66           H        GLY  66  -8.892   4.702   5.921
  528    HA2  GLY  66           HA2      GLY  66  -7.106   2.901   7.189
  529    HA3  GLY  66           HA3      GLY  66  -6.400   3.322   5.654
  530    H    ASN  67           H        ASN  67  -4.928   3.852   7.593
  531    HA   ASN  67           HA       ASN  67  -4.761   6.759   7.941
  532    HB2  ASN  67           HB2      ASN  67  -4.819   6.676  10.405
  533    HB3  ASN  67           HB3      ASN  67  -6.353   6.199   9.698
  534   HD21  ASN  67          HD21      ASN  67  -7.148   4.071  10.097
  535   HD22  ASN  67          HD22      ASN  67  -6.276   2.930  11.105
  536    H    ILE  68           H        ILE  68  -2.804   7.390   9.217
  537    HA   ILE  68           HA       ILE  68  -0.492   5.576   8.605
  538    HB   ILE  68           HB       ILE  68  -0.629   8.588   9.017
  539   HG12  ILE  68          HG12      ILE  68   0.181   7.172   6.455
  540   HG13  ILE  68          HG13      ILE  68  -1.510   7.501   6.774
  541   HG21  ILE  68          HG21      ILE  68   1.537   7.747   9.814
  542   HG22  ILE  68          HG22      ILE  68   1.750   6.792   8.332
  543   HG23  ILE  68          HG23      ILE  68   1.774   8.564   8.278
  544   HD11  ILE  68          HD11      ILE  68  -0.624   9.279   5.415
  545   HD12  ILE  68          HD12      ILE  68  -1.047   9.918   7.011
  546   HD13  ILE  68          HD13      ILE  68   0.657   9.623   6.596
  547    H    VAL  69           H        VAL  69   0.802   4.856  10.226
  548    HA   VAL  69           HA       VAL  69   0.598   6.040  12.973
  549    HB   VAL  69           HB       VAL  69   0.482   3.054  12.343
  550   HG11  VAL  69          HG11      VAL  69   0.172   2.771  14.811
  551   HG12  VAL  69          HG12      VAL  69   1.767   3.380  14.389
  552   HG13  VAL  69          HG13      VAL  69   0.537   4.497  15.029
  553   HG21  VAL  69          HG21      VAL  69  -1.628   4.912  13.529
  554   HG22  VAL  69          HG22      VAL  69  -1.710   4.038  11.980
  555   HG23  VAL  69          HG23      VAL  69  -1.747   3.143  13.499
  556    H    LYS  70           H        LYS  70   2.549   6.113  14.044
  557    HA   LYS  70           HA       LYS  70   4.941   4.919  12.696
  558    HB2  LYS  70           HB2      LYS  70   4.938   7.384  13.063
  559    HB3  LYS  70           HB3      LYS  70   4.865   7.099  14.810
  560    HG2  LYS  70           HG2      LYS  70   7.014   5.843  14.689
  561    HG3  LYS  70           HG3      LYS  70   7.051   6.073  12.930
  562    HD2  LYS  70           HD2      LYS  70   7.143   8.536  13.256
  563    HD3  LYS  70           HD3      LYS  70   7.120   8.298  15.018
  564    HE2  LYS  70           HE2      LYS  70   9.225   6.974  14.858
  565    HE3  LYS  70           HE3      LYS  70   9.245   7.218  13.105
  566    HZ1  LYS  70           HZ1      LYS  70   9.448   9.611  13.506
  567    HZ2  LYS  70           HZ2      LYS  70  10.673   8.815  14.236
  568    HZ3  LYS  70           HZ3      LYS  70   9.429   9.386  15.127
  569    H    ASP  71           H        ASP  71   5.220   2.911  13.386
  570    HA   ASP  71           HA       ASP  71   4.393   2.031  16.052
  571    HB2  ASP  71           HB2      ASP  71   3.965   0.795  13.868
  572    HB3  ASP  71           HB3      ASP  71   5.692   0.509  13.787
  573    HA   PRO  72           HA       PRO  72   8.518   2.229  17.879
  574    HB2  PRO  72           HB2      PRO  72   7.706  -0.337  19.253
  575    HB3  PRO  72           HB3      PRO  72   8.452   1.131  19.954
  576    HG2  PRO  72           HG2      PRO  72   5.802   0.662  20.242
  577    HG3  PRO  72           HG3      PRO  72   6.384   2.318  19.852
  578    HD2  PRO  72           HD2      PRO  72   5.216   0.241  17.997
  579    HD3  PRO  72           HD3      PRO  72   4.891   1.999  18.088
  580    H    GLU  73           H        GLU  73   7.394  -0.842  16.436
  581    HA   GLU  73           HA       GLU  73  10.227  -1.747  16.023
  582    HB2  GLU  73           HB2      GLU  73   7.622  -3.337  15.993
  583    HB3  GLU  73           HB3      GLU  73   9.253  -3.971  15.734
  584    HG2  GLU  73           HG2      GLU  73   9.862  -3.072  18.024
  585    HG3  GLU  73           HG3      GLU  73   8.149  -2.742  18.293
  586    H    MET  74           H        MET  74   7.046  -1.557  14.387
  587    HA   MET  74           HA       MET  74   8.164  -2.286  11.784
  588    HB2  MET  74           HB2      MET  74   5.403  -1.297  12.598
  589    HB3  MET  74           HB3      MET  74   5.836  -1.755  10.964
  590    HG2  MET  74           HG2      MET  74   6.457  -4.032  11.800
  591    HG3  MET  74           HG3      MET  74   5.905  -3.555  13.412
  592    HE1  MET  74           HE1      MET  74   3.144  -6.067  12.270
  593    HE2  MET  74           HE2      MET  74   4.886  -6.142  11.925
  594    HE3  MET  74           HE3      MET  74   4.316  -5.634  13.531
  595    H    GLY  75           H        GLY  75   7.871   0.776  13.392
  596    HA2  GLY  75           HA2      GLY  75   8.663   2.862  12.699
  597    HA3  GLY  75           HA3      GLY  75   8.998   2.197  11.088
  598    H    GLU  76           H        GLU  76   8.113   4.243  10.279
  599    HA   GLU  76           HA       GLU  76   5.354   4.893  10.670
  600    HB2  GLU  76           HB2      GLU  76   7.353   6.415  10.086
  601    HB3  GLU  76           HB3      GLU  76   7.110   5.882   8.411
  602    HG2  GLU  76           HG2      GLU  76   4.754   6.641   8.558
  603    HG3  GLU  76           HG3      GLU  76   5.008   7.090  10.248
  604    H    ILE  77           H        ILE  77   3.668   3.935   9.832
  605    HA   ILE  77           HA       ILE  77   3.755   2.473   7.242
  606    HB   ILE  77           HB       ILE  77   2.548   0.587   8.353
  607   HG12  ILE  77          HG12      ILE  77   3.392   1.890  10.977
  608   HG13  ILE  77          HG13      ILE  77   1.738   1.725  10.382
  609   HG21  ILE  77          HG21      ILE  77   5.317   0.943   9.535
  610   HG22  ILE  77          HG22      ILE  77   4.490  -0.561   9.062
  611   HG23  ILE  77          HG23      ILE  77   5.010   0.581   7.825
  612   HD11  ILE  77          HD11      ILE  77   3.610  -0.497  11.256
  613   HD12  ILE  77          HD12      ILE  77   2.106   0.027  12.023
  614   HD13  ILE  77          HD13      ILE  77   2.060  -0.783  10.442
  615    H    ILE  78           H        ILE  78   1.787   2.083   6.251
  616    HA   ILE  78           HA       ILE  78  -0.577   3.641   7.233
  617    HB   ILE  78           HB       ILE  78   0.025   2.362   4.550
  618   HG12  ILE  78          HG12      ILE  78  -0.534   5.294   5.124
  619   HG13  ILE  78          HG13      ILE  78   1.101   4.636   5.205
  620   HG21  ILE  78          HG21      ILE  78  -2.346   2.040   4.949
  621   HG22  ILE  78          HG22      ILE  78  -2.530   3.715   5.506
  622   HG23  ILE  78          HG23      ILE  78  -2.174   3.354   3.806
  623   HD11  ILE  78          HD11      ILE  78   0.710   5.606   3.012
  624   HD12  ILE  78          HD12      ILE  78   0.956   3.852   2.883
  625   HD13  ILE  78          HD13      ILE  78  -0.678   4.554   2.744
  626    H    GLN  79           H        GLN  79  -2.288   2.609   8.041
  627    HA   GLN  79           HA       GLN  79  -2.504  -0.376   7.899
  628    HB2  GLN  79           HB2      GLN  79  -3.636   1.671   9.868
  629    HB3  GLN  79           HB3      GLN  79  -4.091  -0.040   9.828
  630    HG2  GLN  79           HG2      GLN  79  -1.806  -0.719  10.340
  631    HG3  GLN  79           HG3      GLN  79  -1.233   0.950  10.254
  632   HE21  GLN  79          HE21      GLN  79  -0.381   0.309  12.478
  633   HE22  GLN  79          HE22      GLN  79  -1.469   0.629  13.814
  634    H    LEU  80           H        LEU  80  -3.873  -0.942   6.286
  635    HA   LEU  80           HA       LEU  80  -6.211   0.785   5.615
  636    HB2  LEU  80           HB2      LEU  80  -4.350  -0.216   3.894
  637    HB3  LEU  80           HB3      LEU  80  -5.411  -1.620   3.991
  638    HG   LEU  80           HG       LEU  80  -7.325  -0.195   3.237
  639   HD11  LEU  80          HD11      LEU  80  -6.809   1.996   2.169
  640   HD12  LEU  80          HD12      LEU  80  -5.121   1.872   2.708
  641   HD13  LEU  80          HD13      LEU  80  -6.421   2.060   3.889
  642   HD21  LEU  80          HD21      LEU  80  -4.868  -0.336   1.439
  643   HD22  LEU  80          HD22      LEU  80  -6.522  -0.049   0.849
  644   HD23  LEU  80          HD23      LEU  80  -6.099  -1.577   1.622
  645    H    GLN  81           H        GLN  81  -8.309  -0.125   5.651
  646    HA   GLN  81           HA       GLN  81  -8.767  -2.149   7.656
  647    HB2  GLN  81           HB2      GLN  81 -10.567  -0.679   5.706
  648    HB3  GLN  81           HB3      GLN  81 -11.194  -1.909   6.798
  649    HG2  GLN  81           HG2      GLN  81  -9.628   0.528   7.736
  650    HG3  GLN  81           HG3      GLN  81 -11.388   0.468   7.638
  651   HE21  GLN  81          HE21      GLN  81  -9.992   1.008  10.085
  652   HE22  GLN  81          HE22      GLN  81 -10.315  -0.345  11.154
  653    H    GLY  82           H        GLY  82  -9.109  -4.246   7.557
  654    HA2  GLY  82           HA2      GLY  82  -9.538  -6.374   6.745
  655    HA3  GLY  82           HA3      GLY  82  -9.951  -5.696   5.166
  656    H    ASP  83           H        ASP  83  -8.815  -7.780   4.622
  657    HA   ASP  83           HA       ASP  83  -5.869  -7.577   4.441
  658    HB2  ASP  83           HB2      ASP  83  -5.955  -9.861   3.671
  659    HB3  ASP  83           HB3      ASP  83  -6.714  -9.665   5.240
  660    H    GLN  84           H        GLN  84  -5.396  -6.091   2.921
  661    HA   GLN  84           HA       GLN  84  -6.540  -6.313   0.170
  662    HB2  GLN  84           HB2      GLN  84  -5.482  -3.787   1.452
  663    HB3  GLN  84           HB3      GLN  84  -6.517  -3.937   0.034
  664    HG2  GLN  84           HG2      GLN  84  -7.268  -4.302   2.955
  665    HG3  GLN  84           HG3      GLN  84  -7.785  -3.023   1.883
  666   HE21  GLN  84          HE21      GLN  84  -9.608  -4.387   3.358
  667   HE22  GLN  84          HE22      GLN  84 -10.610  -5.401   2.301
  668    H    ARG  85           H        ARG  85  -4.072  -7.572   1.343
  669    HA   ARG  85           HA       ARG  85  -1.865  -6.099   0.617
  670    HB2  ARG  85           HB2      ARG  85  -0.550  -8.132   0.962
  671    HB3  ARG  85           HB3      ARG  85  -1.770  -7.884   2.205
  672    HG2  ARG  85           HG2      ARG  85  -3.270  -9.535   0.995
  673    HG3  ARG  85           HG3      ARG  85  -1.918  -9.880  -0.098
  674    HD2  ARG  85           HD2      ARG  85  -0.558 -10.634   1.816
  675    HD3  ARG  85           HD3      ARG  85  -1.860 -10.212   2.930
  676    HE   ARG  85           HE       ARG  85  -3.021 -11.931   1.065
  677   HH11  ARG  85          HH11      ARG  85  -0.391 -12.232   3.398
  678   HH12  ARG  85          HH12      ARG  85  -0.635 -13.952   3.583
  679   HH21  ARG  85          HH21      ARG  85  -3.295 -14.135   1.358
  680   HH22  ARG  85          HH22      ARG  85  -2.266 -15.005   2.453
  681    H    ALA  86           H        ALA  86  -3.519  -8.451  -1.460
  682    HA   ALA  86           HA       ALA  86  -1.698  -8.156  -3.714
  683    HB1  ALA  86           HB1      ALA  86  -3.113 -10.150  -3.350
  684    HB2  ALA  86           HB2      ALA  86  -4.579  -9.159  -3.527
  685    HB3  ALA  86           HB3      ALA  86  -3.482  -9.385  -4.908
  686    H    LYS  87           H        LYS  87  -4.727  -6.547  -2.729
  687    HA   LYS  87           HA       LYS  87  -5.123  -5.022  -5.140
  688    HB2  LYS  87           HB2      LYS  87  -6.028  -4.507  -2.270
  689    HB3  LYS  87           HB3      LYS  87  -6.635  -3.670  -3.687
  690    HG2  LYS  87           HG2      LYS  87  -7.476  -5.854  -4.604
  691    HG3  LYS  87           HG3      LYS  87  -6.923  -6.645  -3.111
  692    HD2  LYS  87           HD2      LYS  87  -8.328  -4.924  -1.843
  693    HD3  LYS  87           HD3      LYS  87  -9.065  -4.496  -3.392
  694    HE2  LYS  87           HE2      LYS  87  -9.942  -6.742  -3.681
  695    HE3  LYS  87           HE3      LYS  87  -8.964  -7.354  -2.338
  696    HZ1  LYS  87           HZ1      LYS  87 -10.228  -5.956  -0.833
  697    HZ2  LYS  87           HZ2      LYS  87 -11.229  -6.997  -1.616
  698    HZ3  LYS  87           HZ3      LYS  87 -11.187  -5.418  -2.053
  699    H    VAL  88           H        VAL  88  -3.543  -4.175  -2.033
  700    HA   VAL  88           HA       VAL  88  -2.706  -1.565  -2.924
  701    HB   VAL  88           HB       VAL  88  -1.600  -3.296  -0.694
  702   HG11  VAL  88          HG11      VAL  88  -0.611  -1.191   0.189
  703   HG12  VAL  88          HG12      VAL  88   0.129  -1.630  -1.343
  704   HG13  VAL  88          HG13      VAL  88  -1.088  -0.338  -1.292
  705   HG21  VAL  88          HG21      VAL  88  -2.909  -1.732   0.736
  706   HG22  VAL  88          HG22      VAL  88  -3.500  -0.902  -0.726
  707   HG23  VAL  88          HG23      VAL  88  -3.970  -2.575  -0.400
  708    H    CYS  89           H        CYS  89  -1.068  -4.785  -3.157
  709    HA   CYS  89           HA       CYS  89   1.362  -3.874  -4.318
  710    HB2  CYS  89           HB2      CYS  89   0.858  -6.198  -3.559
  711    HB3  CYS  89           HB3      CYS  89  -0.235  -6.409  -4.935
  712    HG   CYS  89           HG       CYS  89   2.008  -7.665  -5.450
  713    H    GLU  90           H        GLU  90  -1.708  -4.749  -5.983
  714    HA   GLU  90           HA       GLU  90  -0.938  -3.985  -8.573
  715    HB2  GLU  90           HB2      GLU  90  -2.958  -5.305  -7.892
  716    HB3  GLU  90           HB3      GLU  90  -3.736  -3.798  -7.386
  717    HG2  GLU  90           HG2      GLU  90  -3.578  -2.922  -9.677
  718    HG3  GLU  90           HG3      GLU  90  -2.668  -4.353 -10.181
  719    H    PHE  91           H        PHE  91  -2.286  -1.865  -5.954
  720    HA   PHE  91           HA       PHE  91  -2.515   0.511  -7.532
  721    HB2  PHE  91           HB2      PHE  91  -3.574   0.612  -5.450
  722    HB3  PHE  91           HB3      PHE  91  -2.236  -0.116  -4.597
  723    HD1  PHE  91           HD1      PHE  91  -3.145   3.020  -6.464
  724    HD2  PHE  91           HD2      PHE  91  -0.706   1.199  -3.422
  725    HE1  PHE  91           HE1      PHE  91  -2.164   5.244  -5.898
  726    HE2  PHE  91           HE2      PHE  91   0.244   3.417  -2.849
  727    HZ   PHE  91           HZ       PHE  91  -0.531   5.454  -4.077
  728    H    MET  92           H        MET  92   0.240  -0.722  -5.588
  729    HA   MET  92           HA       MET  92   2.006   1.479  -6.048
  730    HB2  MET  92           HB2      MET  92   2.609  -1.445  -5.514
  731    HB3  MET  92           HB3      MET  92   3.786  -0.147  -5.366
  732    HG2  MET  92           HG2      MET  92   1.207  -0.144  -3.777
  733    HG3  MET  92           HG3      MET  92   2.607  -1.057  -3.239
  734    HE1  MET  92           HE1      MET  92   2.070   1.988  -0.813
  735    HE2  MET  92           HE2      MET  92   0.780   1.268  -1.794
  736    HE3  MET  92           HE3      MET  92   1.979   0.222  -1.007
  737    H    ILE  93           H        ILE  93   1.533  -1.562  -7.869
  738    HA   ILE  93           HA       ILE  93   3.546  -0.984  -9.884
  739    HB   ILE  93           HB       ILE  93   1.150  -2.860  -9.953
  740   HG12  ILE  93          HG12      ILE  93   4.077  -3.575  -9.438
  741   HG13  ILE  93          HG13      ILE  93   2.947  -3.250  -8.138
  742   HG21  ILE  93          HG21      ILE  93   2.351  -4.040 -11.773
  743   HG22  ILE  93          HG22      ILE  93   2.011  -2.383 -12.247
  744   HG23  ILE  93          HG23      ILE  93   3.648  -2.838 -11.715
  745   HD11  ILE  93          HD11      ILE  93   2.714  -5.517 -10.139
  746   HD12  ILE  93          HD12      ILE  93   3.052  -5.609  -8.404
  747   HD13  ILE  93          HD13      ILE  93   1.457  -5.079  -8.955
  748    H    SER  94           H        SER  94  -0.014  -0.563  -9.872
  749    HA   SER  94           HA       SER  94  -0.113   0.369 -12.594
  750    HB2  SER  94           HB2      SER  94  -1.948  -0.814 -11.533
  751    HB3  SER  94           HB3      SER  94  -2.121   0.457 -10.312
  752    HG   SER  94           HG       SER  94  -3.600   0.475 -12.229
  753    H    GLN  95           H        GLN  95  -0.393   2.186  -9.484
  754    HA   GLN  95           HA       GLN  95  -0.805   4.689 -11.044
  755    HB2  GLN  95           HB2      GLN  95  -1.197   4.054  -8.096
  756    HB3  GLN  95           HB3      GLN  95  -1.610   5.575  -8.883
  757    HG2  GLN  95           HG2      GLN  95  -2.887   2.862  -9.468
  758    HG3  GLN  95           HG3      GLN  95  -3.606   4.183  -8.562
  759   HE21  GLN  95          HE21      GLN  95  -3.121   2.892 -11.798
  760   HE22  GLN  95          HE22      GLN  95  -3.866   4.255 -12.615
  761    H    LEU  96           H        LEU  96   1.538   3.341  -8.678
  762    HA   LEU  96           HA       LEU  96   3.036   5.901  -8.697
  763    HB2  LEU  96           HB2      LEU  96   3.923   3.283  -7.454
  764    HB3  LEU  96           HB3      LEU  96   4.514   4.890  -7.136
  765    HG   LEU  96           HG       LEU  96   1.771   3.827  -6.347
  766   HD11  LEU  96          HD11      LEU  96   2.619   4.074  -4.069
  767   HD12  LEU  96          HD12      LEU  96   4.166   4.709  -4.678
  768   HD13  LEU  96          HD13      LEU  96   3.696   3.030  -5.014
  769   HD21  LEU  96          HD21      LEU  96   2.949   6.618  -5.984
  770   HD22  LEU  96          HD22      LEU  96   1.524   6.011  -5.123
  771   HD23  LEU  96          HD23      LEU  96   1.478   6.189  -6.880
  772    H    GLY  97           H        GLY  97   2.900   3.059 -10.599
  773    HA2  GLY  97           HA2      GLY  97   4.029   2.536 -12.550
  774    HA3  GLY  97           HA3      GLY  97   5.094   3.944 -12.309
  775    H    LEU  98           H        LEU  98   4.884   1.720  -9.633
  776    HA   LEU  98           HA       LEU  98   7.706   1.094  -9.861
  777    HB2  LEU  98           HB2      LEU  98   5.541   0.182  -7.937
  778    HB3  LEU  98           HB3      LEU  98   7.223  -0.288  -7.782
  779    HG   LEU  98           HG       LEU  98   6.315   2.633  -7.791
  780   HD11  LEU  98          HD11      LEU  98   6.925   0.774  -5.468
  781   HD12  LEU  98          HD12      LEU  98   5.337   1.460  -5.884
  782   HD13  LEU  98          HD13      LEU  98   6.639   2.528  -5.339
  783   HD21  LEU  98          HD21      LEU  98   8.560   3.005  -6.753
  784   HD22  LEU  98          HD22      LEU  98   8.693   2.376  -8.394
  785   HD23  LEU  98          HD23      LEU  98   8.951   1.294  -7.006
  786    H    GLN  99           H        GLN  99   8.573  -1.143  -9.780
  787    HA   GLN  99           HA       GLN  99   7.149  -2.894 -11.735
  788    HB2  GLN  99           HB2      GLN  99  10.005  -2.975 -10.676
  789    HB3  GLN  99           HB3      GLN  99   9.292  -4.126 -11.820
  790    HG2  GLN  99           HG2      GLN  99   8.886  -2.266 -13.432
  791    HG3  GLN  99           HG3      GLN  99   9.614  -1.130 -12.298
  792   HE21  GLN  99          HE21      GLN  99  11.255  -0.530 -13.873
  793   HE22  GLN  99          HE22      GLN  99  12.566  -1.644 -14.228
  794    H    LYS 100           H        LYS 100   6.595  -5.049 -11.209
  795    HA   LYS 100           HA       LYS 100   5.525  -5.505  -8.664
  796    HB2  LYS 100           HB2      LYS 100   4.904  -6.610 -10.762
  797    HB3  LYS 100           HB3      LYS 100   6.372  -7.606 -10.681
  798    HG2  LYS 100           HG2      LYS 100   5.634  -8.705  -8.680
  799    HG3  LYS 100           HG3      LYS 100   4.450  -7.448  -8.324
  800    HD2  LYS 100           HD2      LYS 100   3.243  -9.296  -9.020
  801    HD3  LYS 100           HD3      LYS 100   3.135  -8.135 -10.342
  802    HE2  LYS 100           HE2      LYS 100   4.946  -9.353 -11.563
  803    HE3  LYS 100           HE3      LYS 100   5.049 -10.522 -10.240
  804    HZ1  LYS 100           HZ1      LYS 100   2.654 -10.081 -11.941
  805    HZ2  LYS 100           HZ2      LYS 100   2.750 -11.163 -10.716
  806    HZ3  LYS 100           HZ3      LYS 100   3.672 -11.353 -12.050
  807    H    LYS 101           H        LYS 101   8.730  -6.402  -9.855
  808    HA   LYS 101           HA       LYS 101   9.684  -8.022  -7.745
  809    HB2  LYS 101           HB2      LYS 101  11.862  -7.602  -8.659
  810    HB3  LYS 101           HB3      LYS 101  10.695  -7.775  -9.970
  811    HG2  LYS 101           HG2      LYS 101  10.587  -5.218 -10.077
  812    HG3  LYS 101           HG3      LYS 101  11.886  -5.173  -8.885
  813    HD2  LYS 101           HD2      LYS 101  12.819  -4.857 -11.055
  814    HD3  LYS 101           HD3      LYS 101  13.347  -6.439 -10.452
  815    HE2  LYS 101           HE2      LYS 101  11.900  -7.622 -11.928
  816    HE3  LYS 101           HE3      LYS 101  10.880  -6.200 -12.206
  817    HZ1  LYS 101           HZ1      LYS 101  12.600  -5.187 -13.463
  818    HZ2  LYS 101           HZ2      LYS 101  12.343  -6.674 -14.095
  819    HZ3  LYS 101           HZ3      LYS 101  13.670  -6.408 -13.172
  820    H    ASN 102           H        ASN 102   9.170  -4.541  -7.636
  821    HA   ASN 102           HA       ASN 102  11.034  -4.072  -5.430
  822    HB2  ASN 102           HB2      ASN 102   8.706  -2.361  -6.404
  823    HB3  ASN 102           HB3      ASN 102  10.023  -1.863  -5.341
  824   HD21  ASN 102          HD21      ASN 102  12.349  -2.626  -6.558
  825   HD22  ASN 102          HD22      ASN 102  12.440  -1.898  -8.149
  826    H    ILE 103           H        ILE 103   8.043  -5.687  -5.499
  827    HA   ILE 103           HA       ILE 103   7.235  -4.726  -2.776
  828    HB   ILE 103           HB       ILE 103   5.505  -5.854  -5.002
  829   HG12  ILE 103          HG12      ILE 103   5.575  -2.937  -4.098
  830   HG13  ILE 103          HG13      ILE 103   6.520  -3.505  -5.470
  831   HG21  ILE 103          HG21      ILE 103   3.633  -4.989  -3.553
  832   HG22  ILE 103          HG22      ILE 103   4.552  -6.264  -2.777
  833   HG23  ILE 103          HG23      ILE 103   4.823  -4.570  -2.311
  834   HD11  ILE 103          HD11      ILE 103   4.472  -4.344  -6.569
  835   HD12  ILE 103          HD12      ILE 103   3.510  -3.582  -5.282
  836   HD13  ILE 103          HD13      ILE 103   4.531  -2.587  -6.340
  837    H    LYS 104           H        LYS 104   6.937  -6.089  -1.206
  838    HA   LYS 104           HA       LYS 104   7.043  -9.051  -1.633
  839    HB2  LYS 104           HB2      LYS 104   7.824  -7.391   0.802
  840    HB3  LYS 104           HB3      LYS 104   7.895  -9.148   0.679
  841    HG2  LYS 104           HG2      LYS 104   9.629  -7.183  -0.866
  842    HG3  LYS 104           HG3      LYS 104  10.091  -8.144   0.539
  843    HD2  LYS 104           HD2      LYS 104   9.504 -10.232  -0.858
  844    HD3  LYS 104           HD3      LYS 104   9.453  -9.136  -2.262
  845    HE2  LYS 104           HE2      LYS 104  11.780  -8.367  -1.654
  846    HE3  LYS 104           HE3      LYS 104  11.792  -9.551  -0.340
  847    HZ1  LYS 104           HZ1      LYS 104  12.890 -10.409  -2.328
  848    HZ2  LYS 104           HZ2      LYS 104  11.539 -10.215  -3.226
  849    HZ3  LYS 104           HZ3      LYS 104  11.565 -11.308  -2.008
  850    H    ILE 105           H        ILE 105   5.320 -10.198  -0.888
  851    HA   ILE 105           HA       ILE 105   3.128  -8.785   0.618
  852    HB   ILE 105           HB       ILE 105   2.984 -11.038  -1.431
  853   HG12  ILE 105          HG12      ILE 105   1.893  -8.176  -1.432
  854   HG13  ILE 105          HG13      ILE 105   3.243  -8.767  -2.399
  855   HG21  ILE 105          HG21      ILE 105   0.764  -9.797   0.235
  856   HG22  ILE 105          HG22      ILE 105   0.535 -11.014  -1.040
  857   HG23  ILE 105          HG23      ILE 105   1.385 -11.453   0.427
  858   HD11  ILE 105          HD11      ILE 105   0.320  -9.528  -2.716
  859   HD12  ILE 105          HD12      ILE 105   1.358  -8.654  -3.843
  860   HD13  ILE 105          HD13      ILE 105   1.658 -10.373  -3.538
  861    H    HIS 106           H        HIS 106   2.710  -9.490   2.587
  862    HA   HIS 106           HA       HIS 106   3.790 -12.144   3.489
  863    HB2  HIS 106           HB2      HIS 106   3.745  -9.562   5.068
  864    HB3  HIS 106           HB3      HIS 106   4.457 -11.086   5.564
  865    HD2  HIS 106           HD2      HIS 106   5.193  -7.944   3.574
  866    HE1  HIS 106           HE1      HIS 106   8.720 -10.317   3.372
  867    HE2  HIS 106           HE2      HIS 106   7.756  -8.003   2.966
  868    H    GLY 107           H        GLY 107   2.874 -12.777   5.664
  869    HA2  GLY 107           HA2      GLY 107  -0.110 -12.461   5.799
  870    HA3  GLY 107           HA3      GLY 107   0.859 -13.771   6.503
  871    H    PHE 108           H        PHE 108   0.250 -13.602   8.569
  872    HA   PHE 108           HA       PHE 108   1.343 -11.395  10.168
  873    HB2  PHE 108           HB2      PHE 108  -0.618 -11.062  11.488
  874    HB3  PHE 108           HB3      PHE 108  -0.972 -10.710   9.818
  875    HD1  PHE 108           HD1      PHE 108  -2.457 -12.208   8.470
  876    HD2  PHE 108           HD2      PHE 108  -1.779 -12.853  12.677
  877    HE1  PHE 108           HE1      PHE 108  -4.527 -13.570   8.593
  878    HE2  PHE 108           HE2      PHE 108  -3.852 -14.217  12.799
  879    HZ   PHE 108           HZ       PHE 108  -5.233 -14.568  10.758
  Start of MODEL   10
    1    H1   MET   1           H        MET   1  17.233 -11.194  29.974
    2    H2   MET   1           H2       MET   1  15.934 -10.311  30.417
    3    H3   MET   1           H3       MET   1  16.241 -11.726  31.143
    4    HA   MET   1           HA       MET   1  18.266 -10.871  32.175
    5    HB2  MET   1           HB2      MET   1  18.890  -9.368  30.365
    6    HB3  MET   1           HB3      MET   1  17.539  -8.297  30.733
    7    HG2  MET   1           HG2      MET   1  19.724  -7.484  31.597
    8    HG3  MET   1           HG3      MET   1  18.489  -7.647  32.823
    9    HE1  MET   1           HE1      MET   1  21.859  -8.921  31.371
   10    HE2  MET   1           HE2      MET   1  22.228 -10.351  32.354
   11    HE3  MET   1           HE3      MET   1  20.901 -10.408  31.179
   12    H    SER   2           H        SER   2  18.035 -10.525  34.310
   13    HA   SER   2           HA       SER   2  15.375  -9.685  35.327
   14    HB2  SER   2           HB2      SER   2  16.185 -10.887  37.363
   15    HB3  SER   2           HB3      SER   2  16.126 -11.891  35.906
   16    HG   SER   2           HG       SER   2  18.098 -12.164  37.102
   17    H    ILE   3           H        ILE   3  18.618  -8.379  35.264
   18    HA   ILE   3           HA       ILE   3  18.625  -7.209  37.859
   19    HB   ILE   3           HB       ILE   3  20.587  -7.718  36.340
   20   HG12  ILE   3          HG12      ILE   3  20.603  -4.977  37.666
   21   HG13  ILE   3          HG13      ILE   3  20.720  -6.519  38.519
   22   HG21  ILE   3          HG21      ILE   3  21.377  -6.097  34.751
   23   HG22  ILE   3          HG22      ILE   3  19.691  -6.408  34.343
   24   HG23  ILE   3          HG23      ILE   3  20.124  -4.925  35.206
   25   HD11  ILE   3          HD11      ILE   3  22.813  -7.040  37.250
   26   HD12  ILE   3          HD12      ILE   3  22.734  -5.418  36.517
   27   HD13  ILE   3          HD13      ILE   3  22.934  -5.590  38.267
   28    H    GLU   4           H        GLU   4  17.232  -5.966  34.917
   29    HA   GLU   4           HA       GLU   4  15.762  -3.901  36.282
   30    HB2  GLU   4           HB2      GLU   4  17.975  -2.761  36.059
   31    HB3  GLU   4           HB3      GLU   4  17.919  -3.008  34.313
   32    HG2  GLU   4           HG2      GLU   4  15.942  -1.562  34.139
   33    HG3  GLU   4           HG3      GLU   4  15.833  -1.448  35.898
   34    H    ASN   5           H        ASN   5  13.921  -3.435  35.130
   35    HA   ASN   5           HA       ASN   5  13.531  -4.708  32.478
   36    HB2  ASN   5           HB2      ASN   5  11.870  -5.143  34.216
   37    HB3  ASN   5           HB3      ASN   5  11.590  -3.412  34.432
   38   HD21  ASN   5          HD21      ASN   5  11.471  -5.994  31.880
   39   HD22  ASN   5          HD22      ASN   5  10.126  -5.258  31.026
   40    H    LEU   6           H        LEU   6  14.115  -3.522  30.767
   41    HA   LEU   6           HA       LEU   6  14.177  -0.584  30.803
   42    HB2  LEU   6           HB2      LEU   6  14.939  -2.719  28.775
   43    HB3  LEU   6           HB3      LEU   6  14.827  -1.022  28.333
   44    HG   LEU   6           HG       LEU   6  16.520  -0.412  30.019
   45   HD11  LEU   6          HD11      LEU   6  16.788  -3.422  30.462
   46   HD12  LEU   6          HD12      LEU   6  16.371  -2.190  31.680
   47   HD13  LEU   6          HD13      LEU   6  17.985  -2.214  30.976
   48   HD21  LEU   6          HD21      LEU   6  18.436  -1.331  28.766
   49   HD22  LEU   6          HD22      LEU   6  17.128  -0.863  27.669
   50   HD23  LEU   6          HD23      LEU   6  17.389  -2.580  28.054
   51    H    LYS   7           H        LYS   7  12.938   0.799  29.614
   52    HA   LYS   7           HA       LYS   7  10.287  -0.211  28.666
   53    HB2  LYS   7           HB2      LYS   7  11.104   2.623  29.414
   54    HB3  LYS   7           HB3      LYS   7   9.476   2.036  29.107
   55    HG2  LYS   7           HG2      LYS   7  11.241   1.345  31.491
   56    HG3  LYS   7           HG3      LYS   7   9.810   2.372  31.475
   57    HD2  LYS   7           HD2      LYS   7   8.409   0.396  30.851
   58    HD3  LYS   7           HD3      LYS   7   9.855  -0.636  30.956
   59    HE2  LYS   7           HE2      LYS   7  10.173   0.060  33.322
   60    HE3  LYS   7           HE3      LYS   7   8.709   1.048  33.227
   61    HZ1  LYS   7           HZ1      LYS   7   8.830  -1.899  32.889
   62    HZ2  LYS   7           HZ2      LYS   7   7.458  -1.003  32.770
   63    HZ3  LYS   7           HZ3      LYS   7   8.242  -1.116  34.200
   64    H    SER   8           H        SER   8   9.282   1.219  26.905
   65    HA   SER   8           HA       SER   8  11.040   1.356  24.563
   66    HB2  SER   8           HB2      SER   8   8.167   2.293  24.901
   67    HB3  SER   8           HB3      SER   8   9.028   2.055  23.374
   68    HG   SER   8           HG       SER   8   9.099  -0.184  23.801
   69    H    PHE   9           H        PHE   9  11.931   3.138  23.623
   70    HA   PHE   9           HA       PHE   9  11.302   5.878  24.560
   71    HB2  PHE   9           HB2      PHE   9  14.088   4.639  24.579
   72    HB3  PHE   9           HB3      PHE   9  13.739   6.337  24.839
   73    HD1  PHE   9           HD1      PHE   9  12.076   6.914  26.819
   74    HD2  PHE   9           HD2      PHE   9  14.337   3.255  26.484
   75    HE1  PHE   9           HE1      PHE   9  11.901   6.576  29.274
   76    HE2  PHE   9           HE2      PHE   9  14.169   2.928  28.936
   77    HZ   PHE   9           HZ       PHE   9  12.949   4.585  30.337
   78    H    ASP  10           H        ASP  10  12.401   7.523  23.225
   79    HA   ASP  10           HA       ASP  10  13.492   6.749  20.643
   80    HB2  ASP  10           HB2      ASP  10  11.934   7.962  19.274
   81    HB3  ASP  10           HB3      ASP  10  11.091   6.706  20.160
   82    HA   PRO  11           HA       PRO  11  15.640  10.516  21.662
   83    HB2  PRO  11           HB2      PRO  11  17.585  10.471  19.829
   84    HB3  PRO  11           HB3      PRO  11  17.291   9.031  20.830
   85    HG2  PRO  11           HG2      PRO  11  16.250   9.550  18.019
   86    HG3  PRO  11           HG3      PRO  11  17.140   8.114  18.620
   87    HD2  PRO  11           HD2      PRO  11  14.366   8.340  18.520
   88    HD3  PRO  11           HD3      PRO  11  15.258   7.267  19.653
   89    H    PHE  12           H        PHE  12  16.837  11.993  19.362
   90    HA   PHE  12           HA       PHE  12  14.553  13.590  18.313
   91    HB2  PHE  12           HB2      PHE  12  16.914  14.707  19.884
   92    HB3  PHE  12           HB3      PHE  12  15.640  15.652  19.130
   93    HD1  PHE  12           HD1      PHE  12  13.273  15.526  19.990
   94    HD2  PHE  12           HD2      PHE  12  16.587  13.710  22.071
   95    HE1  PHE  12           HE1      PHE  12  11.910  15.405  22.063
   96    HE2  PHE  12           HE2      PHE  12  15.219  13.591  24.140
   97    HZ   PHE  12           HZ       PHE  12  12.880  14.437  24.140
   98    H    ALA  13           H        ALA  13  16.441  11.723  17.045
   99    HA   ALA  13           HA       ALA  13  18.623  13.063  15.796
  100    HB1  ALA  13           HB1      ALA  13  18.784  10.988  14.468
  101    HB2  ALA  13           HB2      ALA  13  18.511  10.626  16.182
  102    HB3  ALA  13           HB3      ALA  13  17.171  10.495  15.019
  103    H    ASP  14           H        ASP  14  19.014  13.541  13.620
  104    HA   ASP  14           HA       ASP  14  16.916  13.940  11.644
  105    HB2  ASP  14           HB2      ASP  14  16.504  15.844  13.194
  106    HB3  ASP  14           HB3      ASP  14  18.190  16.334  13.039
  107    H    THR  15           H        THR  15  17.778  14.618   9.595
  108    HA   THR  15           HA       THR  15  20.595  15.062   9.141
  109    HB   THR  15           HB       THR  15  20.560  12.618   9.677
  110    HG1  THR  15           HG1      THR  15  21.906  12.163   7.942
  111   HG21  THR  15          HG21      THR  15  19.749  11.026   8.027
  112   HG22  THR  15          HG22      THR  15  19.118  12.329   7.003
  113   HG23  THR  15          HG23      THR  15  18.392  12.011   8.594
  114    H    GLY  16           H        GLY  16  21.094  15.001   6.766
  115    HA2  GLY  16           HA2      GLY  16  19.112  16.691   5.400
  116    HA3  GLY  16           HA3      GLY  16  20.768  16.350   4.873
  117    H    ASP  17           H        ASP  17  18.702  16.487   3.110
  118    HA   ASP  17           HA       ASP  17  17.712  13.847   2.360
  119    HB2  ASP  17           HB2      ASP  17  16.673  15.003   0.520
  120    HB3  ASP  17           HB3      ASP  17  16.392  15.891   2.008
  121    H    ASP  18           H        ASP  18  18.014  12.993   0.164
  122    HA   ASP  18           HA       ASP  18  20.447  13.522  -1.326
  123    HB2  ASP  18           HB2      ASP  18  21.295  12.171   0.612
  124    HB3  ASP  18           HB3      ASP  18  20.168  10.887   0.178
  125    H    GLU  19           H        GLU  19  20.605  12.076  -3.247
  126    HA   GLU  19           HA       GLU  19  18.012  10.885  -4.128
  127    HB2  GLU  19           HB2      GLU  19  19.595  13.001  -5.648
  128    HB3  GLU  19           HB3      GLU  19  18.268  12.043  -6.315
  129    HG2  GLU  19           HG2      GLU  19  16.734  12.985  -4.585
  130    HG3  GLU  19           HG3      GLU  19  18.046  14.019  -4.007
  131    H    THR  20           H        THR  20  18.162   9.267  -5.598
  132    HA   THR  20           HA       THR  20  20.477   8.471  -7.084
  133    HB   THR  20           HB       THR  20  21.357   7.840  -4.897
  134    HG1  THR  20           HG1      THR  20  21.883   5.789  -5.495
  135   HG21  THR  20          HG21      THR  20  18.936   6.000  -4.651
  136   HG22  THR  20          HG22      THR  20  19.276   7.415  -3.633
  137   HG23  THR  20          HG23      THR  20  20.354   6.016  -3.582
  138    H    ALA  21           H        ALA  21  20.123   6.454  -8.221
  139    HA   ALA  21           HA       ALA  21  17.312   6.022  -8.998
  140    HB1  ALA  21           HB1      ALA  21  19.920   4.743  -9.951
  141    HB2  ALA  21           HB2      ALA  21  18.328   4.570 -10.717
  142    HB3  ALA  21           HB3      ALA  21  19.123   6.154 -10.688
  143    H    THR  22           H        THR  22  19.514   4.627  -6.734
  144    HA   THR  22           HA       THR  22  18.500   1.920  -6.660
  145    HB   THR  22           HB       THR  22  20.043   3.520  -4.577
  146    HG1  THR  22           HG1      THR  22  21.823   2.548  -5.587
  147   HG21  THR  22          HG21      THR  22  19.154   1.472  -3.557
  148   HG22  THR  22          HG22      THR  22  20.879   1.264  -3.864
  149   HG23  THR  22          HG23      THR  22  19.695   0.504  -4.951
  150    H    SER  23           H        SER  23  17.028   0.964  -5.251
  151    HA   SER  23           HA       SER  23  15.619   2.587  -3.238
  152    HB2  SER  23           HB2      SER  23  13.402   2.069  -4.141
  153    HB3  SER  23           HB3      SER  23  14.345   3.073  -5.247
  154    HG   SER  23           HG       SER  23  13.284   1.387  -6.371
  155    H    ASN  24           H        ASN  24  14.342   1.401  -1.773
  156    HA   ASN  24           HA       ASN  24  15.276  -1.366  -1.307
  157    HB2  ASN  24           HB2      ASN  24  14.458  -1.000   0.958
  158    HB3  ASN  24           HB3      ASN  24  15.514   0.317   0.469
  159   HD21  ASN  24          HD21      ASN  24  12.114  -0.577   1.173
  160   HD22  ASN  24          HD22      ASN  24  11.529   1.067   1.200
  161    H    TYR  25           H        TYR  25  13.619  -2.860  -0.231
  162    HA   TYR  25           HA       TYR  25  11.367  -3.305  -1.994
  163    HB2  TYR  25           HB2      TYR  25  12.247  -4.593   0.613
  164    HB3  TYR  25           HB3      TYR  25  10.824  -5.102  -0.276
  165    HD1  TYR  25           HD1      TYR  25  11.049  -5.922  -2.666
  166    HD2  TYR  25           HD2      TYR  25  14.401  -5.452   0.006
  167    HE1  TYR  25           HE1      TYR  25  12.393  -7.494  -4.064
  168    HE2  TYR  25           HE2      TYR  25  15.744  -7.010  -1.394
  169    HH   TYR  25           HH       TYR  25  14.414  -8.543  -4.359
  170    H    ILE  26           H        ILE  26   9.231  -3.096  -1.677
  171    HA   ILE  26           HA       ILE  26   8.172  -1.579   0.693
  172    HB   ILE  26           HB       ILE  26   6.801  -2.367  -1.915
  173   HG12  ILE  26          HG12      ILE  26   8.121   0.220  -1.024
  174   HG13  ILE  26          HG13      ILE  26   8.496  -0.751  -2.442
  175   HG21  ILE  26          HG21      ILE  26   4.968  -0.898  -1.163
  176   HG22  ILE  26          HG22      ILE  26   5.248  -2.134   0.043
  177   HG23  ILE  26          HG23      ILE  26   5.870  -0.491   0.316
  178   HD11  ILE  26          HD11      ILE  26   7.336   1.195  -3.186
  179   HD12  ILE  26          HD12      ILE  26   6.235  -0.190  -3.384
  180   HD13  ILE  26          HD13      ILE  26   6.015   0.954  -2.037
  181    H    HIS  27           H        HIS  27   6.963  -2.636   2.188
  182    HA   HIS  27           HA       HIS  27   6.568  -5.589   1.837
  183    HB2  HIS  27           HB2      HIS  27   7.143  -3.997   4.357
  184    HB3  HIS  27           HB3      HIS  27   6.944  -5.740   4.256
  185    HD2  HIS  27           HD2      HIS  27   9.472  -2.956   3.828
  186    HE1  HIS  27           HE1      HIS  27  11.513  -6.500   2.656
  187    HE2  HIS  27           HE2      HIS  27  11.788  -4.026   3.208
  188    H    ILE  28           H        ILE  28   4.466  -6.146   1.698
  189    HA   ILE  28           HA       ILE  28   2.415  -4.483   3.155
  190    HB   ILE  28           HB       ILE  28   1.866  -6.196   0.711
  191   HG12  ILE  28          HG12      ILE  28   2.109  -3.151   0.759
  192   HG13  ILE  28          HG13      ILE  28   3.403  -4.201   0.189
  193   HG21  ILE  28          HG21      ILE  28  -0.097  -5.839   2.145
  194   HG22  ILE  28          HG22      ILE  28   0.270  -4.112   2.309
  195   HG23  ILE  28          HG23      ILE  28  -0.266  -4.756   0.765
  196   HD11  ILE  28          HD11      ILE  28   1.931  -5.157  -1.538
  197   HD12  ILE  28          HD12      ILE  28   0.659  -4.011  -1.070
  198   HD13  ILE  28          HD13      ILE  28   2.192  -3.408  -1.713
  199    H    ARG  29           H        ARG  29   1.678  -5.389   4.868
  200    HA   ARG  29           HA       ARG  29   1.789  -8.348   5.271
  201    HB2  ARG  29           HB2      ARG  29   2.276  -6.549   7.599
  202    HB3  ARG  29           HB3      ARG  29   2.969  -8.114   7.212
  203    HG2  ARG  29           HG2      ARG  29   4.467  -6.929   5.521
  204    HG3  ARG  29           HG3      ARG  29   3.772  -5.398   6.071
  205    HD2  ARG  29           HD2      ARG  29   5.736  -5.514   7.257
  206    HD3  ARG  29           HD3      ARG  29   4.543  -6.044   8.431
  207    HE   ARG  29           HE       ARG  29   5.241  -8.363   8.038
  208   HH11  ARG  29          HH11      ARG  29   7.606  -5.903   6.982
  209   HH12  ARG  29          HH12      ARG  29   8.858  -7.096   6.829
  210   HH21  ARG  29          HH21      ARG  29   6.946  -9.785   7.877
  211   HH22  ARG  29          HH22      ARG  29   8.506  -9.230   7.367
  212    H    ILE  30           H        ILE  30   0.534  -8.884   7.404
  213    HA   ILE  30           HA       ILE  30  -1.921  -7.165   7.703
  214    HB   ILE  30           HB       ILE  30  -1.720 -10.178   8.017
  215   HG12  ILE  30          HG12      ILE  30  -3.234  -8.544   5.924
  216   HG13  ILE  30          HG13      ILE  30  -1.734  -9.416   5.624
  217   HG21  ILE  30          HG21      ILE  30  -3.316  -9.132   9.627
  218   HG22  ILE  30          HG22      ILE  30  -4.134  -8.330   8.267
  219   HG23  ILE  30          HG23      ILE  30  -4.154 -10.096   8.435
  220   HD11  ILE  30          HD11      ILE  30  -4.423 -10.642   6.295
  221   HD12  ILE  30          HD12      ILE  30  -3.476 -10.796   4.819
  222   HD13  ILE  30          HD13      ILE  30  -2.891 -11.557   6.303
  223    H    GLN  31           H        GLN  31  -2.505  -6.644   9.791
  224    HA   GLN  31           HA       GLN  31  -0.366  -6.952  11.801
  225    HB2  GLN  31           HB2      GLN  31  -1.370  -4.722  11.342
  226    HB3  GLN  31           HB3      GLN  31  -2.948  -5.326  11.857
  227    HG2  GLN  31           HG2      GLN  31  -1.867  -4.014  13.633
  228    HG3  GLN  31           HG3      GLN  31  -2.097  -5.678  14.149
  229   HE21  GLN  31          HE21      GLN  31   0.324  -3.201  13.377
  230   HE22  GLN  31          HE22      GLN  31   1.710  -4.196  13.781
  231    H    GLN  32           H        GLN  32  -0.546  -8.079  13.704
  232    HA   GLN  32           HA       GLN  32  -2.659 -10.126  13.786
  233    HB2  GLN  32           HB2      GLN  32  -1.340 -11.148  15.564
  234    HB3  GLN  32           HB3      GLN  32  -0.423 -10.895  14.084
  235    HG2  GLN  32           HG2      GLN  32   0.688  -8.906  15.118
  236    HG3  GLN  32           HG3      GLN  32  -0.212  -9.192  16.611
  237   HE21  GLN  32          HE21      GLN  32   2.228 -10.691  14.400
  238   HE22  GLN  32          HE22      GLN  32   2.927 -11.692  15.663
  239    H    ARG  33           H        ARG  33  -4.426 -10.045  14.927
  240    HA   ARG  33           HA       ARG  33  -4.668  -8.397  17.382
  241    HB2  ARG  33           HB2      ARG  33  -6.388  -8.157  14.873
  242    HB3  ARG  33           HB3      ARG  33  -6.960  -7.667  16.474
  243    HG2  ARG  33           HG2      ARG  33  -5.069  -6.109  16.715
  244    HG3  ARG  33           HG3      ARG  33  -4.488  -6.528  15.090
  245    HD2  ARG  33           HD2      ARG  33  -6.387  -5.573  14.033
  246    HD3  ARG  33           HD3      ARG  33  -7.287  -5.481  15.561
  247    HE   ARG  33           HE       ARG  33  -4.897  -3.961  15.810
  248   HH11  ARG  33          HH11      ARG  33  -7.962  -3.703  14.060
  249   HH12  ARG  33          HH12      ARG  33  -8.065  -1.983  14.327
  250   HH21  ARG  33          HH21      ARG  33  -5.051  -1.741  16.038
  251   HH22  ARG  33          HH22      ARG  33  -6.406  -0.884  15.376
  252    H    ASN  34           H        ASN  34  -6.151  -9.137  18.851
  253    HA   ASN  34           HA       ASN  34  -7.002 -11.920  18.641
  254    HB2  ASN  34           HB2      ASN  34  -7.689 -11.695  20.913
  255    HB3  ASN  34           HB3      ASN  34  -6.110 -10.945  20.741
  256   HD21  ASN  34          HD21      ASN  34  -8.458 -10.546  22.712
  257   HD22  ASN  34          HD22      ASN  34  -8.699  -8.807  22.691
  258    H    GLY  35           H        GLY  35  -8.554  -8.792  18.224
  259    HA2  GLY  35           HA2      GLY  35 -11.285  -9.940  17.962
  260    HA3  GLY  35           HA3      GLY  35 -10.831  -8.226  17.883
  261    H    ARG  36           H        ARG  36 -12.570  -9.438  16.091
  262    HA   ARG  36           HA       ARG  36 -11.339 -10.288  13.660
  263    HB2  ARG  36           HB2      ARG  36 -13.557 -10.257  12.733
  264    HB3  ARG  36           HB3      ARG  36 -13.601 -10.916  14.365
  265    HG2  ARG  36           HG2      ARG  36 -14.392  -8.675  15.212
  266    HG3  ARG  36           HG3      ARG  36 -14.451  -8.092  13.545
  267    HD2  ARG  36           HD2      ARG  36 -16.015 -10.465  14.644
  268    HD3  ARG  36           HD3      ARG  36 -16.661  -8.828  14.438
  269    HE   ARG  36           HE       ARG  36 -15.686  -9.485  11.930
  270   HH11  ARG  36          HH11      ARG  36 -18.138 -10.900  14.053
  271   HH12  ARG  36          HH12      ARG  36 -19.040 -11.562  12.723
  272   HH21  ARG  36          HH21      ARG  36 -16.890 -10.375  10.261
  273   HH22  ARG  36          HH22      ARG  36 -18.344 -11.261  10.608
  274    H    LYS  37           H        LYS  37 -11.357  -7.162  14.843
  275    HA   LYS  37           HA       LYS  37 -11.642  -5.664  12.365
  276    HB2  LYS  37           HB2      LYS  37 -10.941  -3.750  13.769
  277    HB3  LYS  37           HB3      LYS  37 -12.324  -4.641  14.393
  278    HG2  LYS  37           HG2      LYS  37 -10.926  -5.735  16.098
  279    HG3  LYS  37           HG3      LYS  37  -9.479  -4.951  15.452
  280    HD2  LYS  37           HD2      LYS  37 -10.456  -2.724  15.981
  281    HD3  LYS  37           HD3      LYS  37 -11.897  -3.527  16.642
  282    HE2  LYS  37           HE2      LYS  37 -10.458  -4.707  18.308
  283    HE3  LYS  37           HE3      LYS  37  -9.034  -3.882  17.657
  284    HZ1  LYS  37           HZ1      LYS  37 -11.358  -2.534  18.924
  285    HZ2  LYS  37           HZ2      LYS  37 -10.044  -1.766  18.325
  286    HZ3  LYS  37           HZ3      LYS  37  -9.897  -2.750  19.618
  287    H    THR  38           H        THR  38 -10.026  -7.433  11.485
  288    HA   THR  38           HA       THR  38  -7.204  -7.115  11.810
  289    HB   THR  38           HB       THR  38  -8.798  -8.327   9.514
  290    HG1  THR  38           HG1      THR  38  -8.563 -10.213  10.766
  291   HG21  THR  38          HG21      THR  38  -6.793  -9.818   9.293
  292   HG22  THR  38          HG22      THR  38  -5.930  -8.795  10.464
  293   HG23  THR  38          HG23      THR  38  -6.444  -8.137   8.889
  294    H    LEU  39           H        LEU  39  -5.655  -6.113  10.567
  295    HA   LEU  39           HA       LEU  39  -6.529  -4.096   8.531
  296    HB2  LEU  39           HB2      LEU  39  -4.404  -3.744  10.690
  297    HB3  LEU  39           HB3      LEU  39  -4.837  -2.564   9.463
  298    HG   LEU  39           HG       LEU  39  -6.636  -3.482  11.749
  299   HD11  LEU  39          HD11      LEU  39  -5.079  -0.905  11.287
  300   HD12  LEU  39          HD12      LEU  39  -4.720  -2.146  12.506
  301   HD13  LEU  39          HD13      LEU  39  -6.209  -1.189  12.616
  302   HD21  LEU  39          HD21      LEU  39  -8.018  -2.799   9.854
  303   HD22  LEU  39          HD22      LEU  39  -7.048  -1.324   9.623
  304   HD23  LEU  39          HD23      LEU  39  -8.054  -1.531  11.077
  305    H    THR  40           H        THR  40  -5.184  -3.742   6.858
  306    HA   THR  40           HA       THR  40  -2.809  -5.482   6.377
  307    HB   THR  40           HB       THR  40  -4.377  -3.549   4.621
  308    HG1  THR  40           HG1      THR  40  -5.225  -5.635   5.191
  309   HG21  THR  40          HG21      THR  40  -2.013  -3.539   3.862
  310   HG22  THR  40          HG22      THR  40  -3.029  -4.453   2.741
  311   HG23  THR  40          HG23      THR  40  -1.992  -5.320   3.893
  312    H    THR  41           H        THR  41  -0.771  -4.656   6.598
  313    HA   THR  41           HA       THR  41  -0.442  -1.739   7.185
  314    HB   THR  41           HB       THR  41   1.715  -2.587   8.333
  315    HG1  THR  41           HG1      THR  41   1.432  -4.652   9.243
  316   HG21  THR  41          HG21      THR  41  -0.188  -1.511   9.457
  317   HG22  THR  41          HG22      THR  41   0.452  -2.839  10.443
  318   HG23  THR  41          HG23      THR  41  -1.057  -3.062   9.521
  319    H    VAL  42           H        VAL  42   0.583  -0.612   5.803
  320    HA   VAL  42           HA       VAL  42   2.356  -1.913   3.760
  321    HB   VAL  42           HB       VAL  42   1.286   0.919   3.706
  322   HG11  VAL  42          HG11      VAL  42   3.291   0.552   2.318
  323   HG12  VAL  42          HG12      VAL  42   2.519  -0.846   1.546
  324   HG13  VAL  42          HG13      VAL  42   1.866   0.790   1.303
  325   HG21  VAL  42          HG21      VAL  42  -0.654  -0.589   3.625
  326   HG22  VAL  42          HG22      VAL  42  -0.366   0.135   2.047
  327   HG23  VAL  42          HG23      VAL  42   0.136  -1.551   2.356
  328    H    GLN  43           H        GLN  43   4.438  -1.669   3.923
  329    HA   GLN  43           HA       GLN  43   5.698   0.394   5.695
  330    HB2  GLN  43           HB2      GLN  43   5.350  -1.692   6.918
  331    HB3  GLN  43           HB3      GLN  43   5.976  -2.636   5.588
  332    HG2  GLN  43           HG2      GLN  43   8.252  -1.653   5.977
  333    HG3  GLN  43           HG3      GLN  43   7.590  -0.749   7.348
  334   HE21  GLN  43          HE21      GLN  43   7.869  -1.805   9.339
  335   HE22  GLN  43          HE22      GLN  43   8.056  -3.555   9.481
  336    H    GLY  44           H        GLY  44   7.857   0.973   5.102
  337    HA2  GLY  44           HA2      GLY  44   9.788   1.059   3.856
  338    HA3  GLY  44           HA3      GLY  44   9.283  -0.426   3.023
  339    H    VAL  45           H        VAL  45   6.794   1.629   2.436
  340    HA   VAL  45           HA       VAL  45   7.357   2.095  -0.256
  341    HB   VAL  45           HB       VAL  45   5.126   2.223   0.569
  342   HG11  VAL  45          HG11      VAL  45   4.182   4.132   1.720
  343   HG12  VAL  45          HG12      VAL  45   5.486   3.453   2.706
  344   HG13  VAL  45          HG13      VAL  45   5.757   4.942   1.769
  345   HG21  VAL  45          HG21      VAL  45   5.900   4.865  -0.741
  346   HG22  VAL  45          HG22      VAL  45   5.671   3.320  -1.591
  347   HG23  VAL  45          HG23      VAL  45   4.308   4.087  -0.774
  348    HA   PRO  46           HA       PRO  46  10.607   5.148  -0.259
  349    HB2  PRO  46           HB2      PRO  46   9.286   5.899  -2.876
  350    HB3  PRO  46           HB3      PRO  46  11.010   5.763  -2.523
  351    HG2  PRO  46           HG2      PRO  46   9.756   3.717  -3.749
  352    HG3  PRO  46           HG3      PRO  46  10.866   3.360  -2.386
  353    HD2  PRO  46           HD2      PRO  46   7.841   3.515  -2.347
  354    HD3  PRO  46           HD3      PRO  46   8.945   2.335  -1.576
  355    H    GLU  47           H        GLU  47  10.881   7.235   0.404
  356    HA   GLU  47           HA       GLU  47   8.617   8.570   1.462
  357    HB2  GLU  47           HB2      GLU  47  10.969   8.438   2.378
  358    HB3  GLU  47           HB3      GLU  47  11.462   9.631   1.172
  359    HG2  GLU  47           HG2      GLU  47   9.946  11.295   2.187
  360    HG3  GLU  47           HG3      GLU  47   9.324  10.075   3.305
  361    H    GLU  48           H        GLU  48  10.026   8.887  -1.668
  362    HA   GLU  48           HA       GLU  48   9.193  11.581  -2.287
  363    HB2  GLU  48           HB2      GLU  48   9.594  11.001  -4.582
  364    HB3  GLU  48           HB3      GLU  48  10.902  10.380  -3.579
  365    HG2  GLU  48           HG2      GLU  48   9.855   8.102  -3.673
  366    HG3  GLU  48           HG3      GLU  48   8.598   8.741  -4.738
  367    H    TYR  49           H        TYR  49   7.401   8.624  -1.898
  368    HA   TYR  49           HA       TYR  49   5.011   9.676  -3.312
  369    HB2  TYR  49           HB2      TYR  49   5.487   7.020  -1.919
  370    HB3  TYR  49           HB3      TYR  49   4.068   7.477  -2.843
  371    HD1  TYR  49           HD1      TYR  49   4.590   8.330  -5.343
  372    HD2  TYR  49           HD2      TYR  49   7.151   5.751  -3.020
  373    HE1  TYR  49           HE1      TYR  49   5.616   7.467  -7.437
  374    HE2  TYR  49           HE2      TYR  49   8.154   4.863  -5.116
  375    HH   TYR  49           HH       TYR  49   7.116   5.983  -8.360
  376    H    ASP  50           H        ASP  50   3.680  10.952  -2.201
  377    HA   ASP  50           HA       ASP  50   3.838  11.370   0.638
  378    HB2  ASP  50           HB2      ASP  50   3.225  13.173  -0.817
  379    HB3  ASP  50           HB3      ASP  50   1.876  12.261  -1.493
  380    H    LEU  51           H        LEU  51   3.033  10.186   2.219
  381    HA   LEU  51           HA       LEU  51   1.457   7.860   1.843
  382    HB2  LEU  51           HB2      LEU  51   1.829   9.504   4.380
  383    HB3  LEU  51           HB3      LEU  51   1.327   7.817   4.297
  384    HG   LEU  51           HG       LEU  51   4.066   8.962   3.619
  385   HD11  LEU  51          HD11      LEU  51   3.106   7.073   5.817
  386   HD12  LEU  51          HD12      LEU  51   3.521   8.789   6.020
  387   HD13  LEU  51          HD13      LEU  51   4.776   7.623   5.566
  388   HD21  LEU  51          HD21      LEU  51   4.839   6.657   3.289
  389   HD22  LEU  51          HD22      LEU  51   3.616   7.066   2.085
  390   HD23  LEU  51          HD23      LEU  51   3.188   6.042   3.479
  391    H    LYS  52           H        LYS  52   0.447  11.137   2.821
  392    HA   LYS  52           HA       LYS  52  -2.313  10.538   3.291
  393    HB2  LYS  52           HB2      LYS  52  -0.957  13.123   2.435
  394    HB3  LYS  52           HB3      LYS  52  -2.639  12.986   2.961
  395    HG2  LYS  52           HG2      LYS  52  -1.899  12.125   5.165
  396    HG3  LYS  52           HG3      LYS  52  -0.204  12.262   4.659
  397    HD2  LYS  52           HD2      LYS  52  -0.488  14.705   4.342
  398    HD3  LYS  52           HD3      LYS  52  -2.179  14.576   4.876
  399    HE2  LYS  52           HE2      LYS  52  -1.418  13.677   7.066
  400    HE3  LYS  52           HE3      LYS  52   0.265  13.790   6.533
  401    HZ1  LYS  52           HZ1      LYS  52  -0.019  16.199   6.354
  402    HZ2  LYS  52           HZ2      LYS  52  -0.366  15.705   7.872
  403    HZ3  LYS  52           HZ3      LYS  52  -1.576  16.098   6.848
  404    H    ARG  53           H        ARG  53  -0.637  11.373   0.203
  405    HA   ARG  53           HA       ARG  53  -2.944  11.290  -1.430
  406    HB2  ARG  53           HB2      ARG  53  -0.407  11.916  -1.930
  407    HB3  ARG  53           HB3      ARG  53  -0.261  10.226  -2.366
  408    HG2  ARG  53           HG2      ARG  53  -0.683  11.497  -4.352
  409    HG3  ARG  53           HG3      ARG  53  -2.105  10.509  -4.028
  410    HD2  ARG  53           HD2      ARG  53  -2.700  12.798  -4.748
  411    HD3  ARG  53           HD3      ARG  53  -3.316  12.445  -3.151
  412    HE   ARG  53           HE       ARG  53  -1.892  14.027  -2.209
  413   HH11  ARG  53          HH11      ARG  53  -0.952  13.668  -5.604
  414   HH12  ARG  53          HH12      ARG  53   0.138  15.020  -5.531
  415   HH21  ARG  53          HH21      ARG  53  -0.458  15.722  -2.179
  416   HH22  ARG  53          HH22      ARG  53   0.398  16.177  -3.621
  417    H    ILE  54           H        ILE  54  -0.850   8.646  -0.267
  418    HA   ILE  54           HA       ILE  54  -2.125   6.497  -1.737
  419    HB   ILE  54           HB       ILE  54  -0.540   6.365   0.845
  420   HG12  ILE  54          HG12      ILE  54   0.330   5.928  -2.048
  421   HG13  ILE  54          HG13      ILE  54   0.704   7.358  -1.109
  422   HG21  ILE  54          HG21      ILE  54  -1.372   4.207  -1.150
  423   HG22  ILE  54          HG22      ILE  54  -0.259   3.958   0.211
  424   HG23  ILE  54          HG23      ILE  54  -1.933   4.368   0.528
  425   HD11  ILE  54          HD11      ILE  54   1.744   4.564  -0.582
  426   HD12  ILE  54          HD12      ILE  54   2.644   5.999  -1.087
  427   HD13  ILE  54          HD13      ILE  54   1.948   5.927   0.542
  428    H    LEU  55           H        LEU  55  -2.792   7.912   1.539
  429    HA   LEU  55           HA       LEU  55  -5.050   6.257   2.086
  430    HB2  LEU  55           HB2      LEU  55  -4.819   9.206   2.831
  431    HB3  LEU  55           HB3      LEU  55  -5.812   7.970   3.557
  432    HG   LEU  55           HG       LEU  55  -2.852   8.423   3.864
  433   HD11  LEU  55          HD11      LEU  55  -4.441   9.617   5.321
  434   HD12  LEU  55          HD12      LEU  55  -3.477   8.460   6.250
  435   HD13  LEU  55          HD13      LEU  55  -5.157   8.069   5.824
  436   HD21  LEU  55          HD21      LEU  55  -4.319   5.866   4.614
  437   HD22  LEU  55          HD22      LEU  55  -2.716   6.353   5.216
  438   HD23  LEU  55          HD23      LEU  55  -2.934   6.047   3.494
  439    H    LYS  56           H        LYS  56  -5.003   9.507   0.518
  440    HA   LYS  56           HA       LYS  56  -7.740   9.673  -0.090
  441    HB2  LYS  56           HB2      LYS  56  -5.217  10.921  -1.124
  442    HB3  LYS  56           HB3      LYS  56  -6.575  10.958  -2.231
  443    HG2  LYS  56           HG2      LYS  56  -6.599  12.989  -0.981
  444    HG3  LYS  56           HG3      LYS  56  -8.006  12.024  -0.532
  445    HD2  LYS  56           HD2      LYS  56  -6.810  11.317   1.565
  446    HD3  LYS  56           HD3      LYS  56  -5.443  12.352   1.089
  447    HE2  LYS  56           HE2      LYS  56  -6.949  14.328   1.062
  448    HE3  LYS  56           HE3      LYS  56  -8.312  13.303   1.529
  449    HZ1  LYS  56           HZ1      LYS  56  -5.890  13.774   3.182
  450    HZ2  LYS  56           HZ2      LYS  56  -7.151  12.821   3.613
  451    HZ3  LYS  56           HZ3      LYS  56  -7.362  14.431   3.444
  452    H    VAL  57           H        VAL  57  -5.225   8.320  -2.263
  453    HA   VAL  57           HA       VAL  57  -7.141   7.741  -4.315
  454    HB   VAL  57           HB       VAL  57  -4.725   8.101  -4.677
  455   HG11  VAL  57          HG11      VAL  57  -3.994   6.541  -2.847
  456   HG12  VAL  57          HG12      VAL  57  -4.271   5.203  -3.975
  457   HG13  VAL  57          HG13      VAL  57  -3.097   6.502  -4.356
  458   HG21  VAL  57          HG21      VAL  57  -6.223   7.175  -6.434
  459   HG22  VAL  57          HG22      VAL  57  -4.546   6.632  -6.595
  460   HG23  VAL  57          HG23      VAL  57  -5.772   5.530  -5.930
  461    H    LEU  58           H        LEU  58  -5.866   5.625  -1.692
  462    HA   LEU  58           HA       LEU  58  -7.264   3.267  -2.671
  463    HB2  LEU  58           HB2      LEU  58  -6.093   3.944   0.050
  464    HB3  LEU  58           HB3      LEU  58  -6.712   2.360  -0.410
  465    HG   LEU  58           HG       LEU  58  -4.352   3.753  -1.768
  466   HD11  LEU  58          HD11      LEU  58  -4.386   1.398   0.147
  467   HD12  LEU  58          HD12      LEU  58  -3.908   3.046   0.587
  468   HD13  LEU  58          HD13      LEU  58  -2.957   2.131  -0.600
  469   HD21  LEU  58          HD21      LEU  58  -3.929   1.483  -2.744
  470   HD22  LEU  58          HD22      LEU  58  -5.365   2.293  -3.367
  471   HD23  LEU  58          HD23      LEU  58  -5.536   0.981  -2.170
  472    H    LYS  59           H        LYS  59  -8.211   5.884  -0.423
  473    HA   LYS  59           HA       LYS  59 -10.780   4.649   0.204
  474    HB2  LYS  59           HB2      LYS  59  -9.806   7.533   0.386
  475    HB3  LYS  59           HB3      LYS  59 -11.372   6.949   0.976
  476    HG2  LYS  59           HG2      LYS  59 -10.159   5.289   2.417
  477    HG3  LYS  59           HG3      LYS  59  -8.639   6.015   1.954
  478    HD2  LYS  59           HD2      LYS  59  -9.692   8.270   2.806
  479    HD3  LYS  59           HD3      LYS  59 -10.882   7.209   3.595
  480    HE2  LYS  59           HE2      LYS  59  -8.742   5.930   4.468
  481    HE3  LYS  59           HE3      LYS  59  -7.871   7.388   4.015
  482    HZ1  LYS  59           HZ1      LYS  59  -9.365   8.633   5.525
  483    HZ2  LYS  59           HZ2      LYS  59  -8.543   7.460   6.332
  484    HZ3  LYS  59           HZ3      LYS  59 -10.119   7.235   5.954
  485    H    LYS  60           H        LYS  60  -9.680   6.802  -2.406
  486    HA   LYS  60           HA       LYS  60 -12.329   7.289  -3.463
  487    HB2  LYS  60           HB2      LYS  60 -10.412   8.825  -3.693
  488    HB3  LYS  60           HB3      LYS  60  -9.565   7.643  -4.697
  489    HG2  LYS  60           HG2      LYS  60 -11.348   7.816  -6.417
  490    HG3  LYS  60           HG3      LYS  60 -12.264   8.904  -5.366
  491    HD2  LYS  60           HD2      LYS  60 -11.146  10.194  -7.069
  492    HD3  LYS  60           HD3      LYS  60 -10.429  10.574  -5.497
  493    HE2  LYS  60           HE2      LYS  60  -8.514   9.081  -5.988
  494    HE3  LYS  60           HE3      LYS  60  -9.260   8.603  -7.520
  495    HZ1  LYS  60           HZ1      LYS  60  -9.059  10.909  -8.264
  496    HZ2  LYS  60           HZ2      LYS  60  -7.591  10.330  -7.851
  497    HZ3  LYS  60           HZ3      LYS  60  -8.374  11.358  -6.850
  498    H    ASP  61           H        ASP  61  -9.637   5.309  -4.811
  499    HA   ASP  61           HA       ASP  61 -11.369   4.358  -6.955
  500    HB2  ASP  61           HB2      ASP  61  -8.958   5.045  -7.195
  501    HB3  ASP  61           HB3      ASP  61  -8.499   3.596  -6.308
  502    H    PHE  62           H        PHE  62  -9.785   2.797  -4.138
  503    HA   PHE  62           HA       PHE  62 -10.940   0.164  -4.834
  504    HB2  PHE  62           HB2      PHE  62  -9.045   1.064  -2.630
  505    HB3  PHE  62           HB3      PHE  62  -9.611  -0.569  -2.847
  506    HD1  PHE  62           HD2      PHE  62  -7.637   2.139  -4.542
  507    HD2  PHE  62           HD1      PHE  62  -8.553  -2.069  -4.315
  508    HE1  PHE  62           HE2      PHE  62  -5.699   1.641  -5.977
  509    HE2  PHE  62           HE1      PHE  62  -6.596  -2.564  -5.753
  510    HZ   PHE  62           HZ       PHE  62  -5.172  -0.723  -6.604
  511    H    ALA  63           H        ALA  63 -11.913   2.849  -3.012
  512    HA   ALA  63           HA       ALA  63 -13.534   3.294  -1.501
  513    HB1  ALA  63           HB1      ALA  63 -15.545   1.960  -1.505
  514    HB2  ALA  63           HB2      ALA  63 -14.918   2.055  -3.158
  515    HB3  ALA  63           HB3      ALA  63 -14.699   0.572  -2.204
  516    H    CYS  64           H        CYS  64 -11.056   2.046  -0.560
  517    HA   CYS  64           HA       CYS  64 -11.768   0.382   1.769
  518    HB2  CYS  64           HB2      CYS  64  -9.144   1.540   0.697
  519    HB3  CYS  64           HB3      CYS  64  -9.259   0.497   2.120
  520    HG   CYS  64           HG       CYS  64 -10.467  -1.518   0.904
  521    H    ASN  65           H        ASN  65 -10.233   1.189   3.777
  522    HA   ASN  65           HA       ASN  65 -10.328   4.071   4.203
  523    HB2  ASN  65           HB2      ASN  65 -12.551   3.352   5.063
  524    HB3  ASN  65           HB3      ASN  65 -11.743   2.224   6.152
  525   HD21  ASN  65          HD22      ASN  65 -12.063   3.138   8.192
  526   HD22  ASN  65          HD21      ASN  65 -11.679   4.813   8.585
  527    H    GLY  66           H        GLY  66  -8.882   4.743   5.919
  528    HA2  GLY  66           HA2      GLY  66  -7.013   2.928   7.159
  529    HA3  GLY  66           HA3      GLY  66  -6.403   3.474   5.618
  530    H    ASN  67           H        ASN  67  -4.854   3.993   7.526
  531    HA   ASN  67           HA       ASN  67  -4.735   6.866   7.824
  532    HB2  ASN  67           HB2      ASN  67  -4.962   7.147  10.138
  533    HB3  ASN  67           HB3      ASN  67  -6.352   6.185   9.671
  534   HD21  ASN  67          HD21      ASN  67  -5.917   3.641   9.909
  535   HD22  ASN  67          HD22      ASN  67  -4.995   3.181  11.338
  536    H    ILE  68           H        ILE  68  -2.744   7.572   9.091
  537    HA   ILE  68           HA       ILE  68  -0.449   5.726   8.517
  538    HB   ILE  68           HB       ILE  68  -0.544   8.732   8.963
  539   HG12  ILE  68          HG12      ILE  68   0.295   7.357   6.389
  540   HG13  ILE  68          HG13      ILE  68  -1.402   7.666   6.693
  541   HG21  ILE  68          HG21      ILE  68   1.815   6.906   8.281
  542   HG22  ILE  68          HG22      ILE  68   1.867   8.680   8.242
  543   HG23  ILE  68          HG23      ILE  68   1.602   7.853   9.771
  544   HD11  ILE  68          HD11      ILE  68  -0.954  10.085   6.986
  545   HD12  ILE  68          HD12      ILE  68   0.754   9.802   6.578
  546   HD13  ILE  68          HD13      ILE  68  -0.518   9.479   5.383
  547    H    VAL  69           H        VAL  69   0.803   4.950  10.142
  548    HA   VAL  69           HA       VAL  69   0.586   6.095  12.907
  549    HB   VAL  69           HB       VAL  69   0.442   3.125  12.210
  550   HG11  VAL  69          HG11      VAL  69   0.482   4.506  14.929
  551   HG12  VAL  69          HG12      VAL  69   0.092   2.793  14.667
  552   HG13  VAL  69          HG13      VAL  69   1.703   3.383  14.281
  553   HG21  VAL  69          HG21      VAL  69  -1.735   4.125  11.837
  554   HG22  VAL  69          HG22      VAL  69  -1.795   3.225  13.354
  555   HG23  VAL  69          HG23      VAL  69  -1.655   4.991  13.393
  556    H    LYS  70           H        LYS  70   2.521   6.105  14.023
  557    HA   LYS  70           HA       LYS  70   4.913   4.866  12.702
  558    HB2  LYS  70           HB2      LYS  70   4.799   7.400  13.197
  559    HB3  LYS  70           HB3      LYS  70   5.001   6.967  14.888
  560    HG2  LYS  70           HG2      LYS  70   6.899   6.321  12.581
  561    HG3  LYS  70           HG3      LYS  70   7.120   7.586  13.790
  562    HD2  LYS  70           HD2      LYS  70   7.245   5.816  15.571
  563    HD3  LYS  70           HD3      LYS  70   7.165   4.585  14.287
  564    HE2  LYS  70           HE2      LYS  70   9.196   5.491  13.243
  565    HE3  LYS  70           HE3      LYS  70   9.315   6.717  14.510
  566    HZ1  LYS  70           HZ1      LYS  70  10.716   4.758  14.961
  567    HZ2  LYS  70           HZ2      LYS  70   9.398   3.785  15.016
  568    HZ3  LYS  70           HZ3      LYS  70   9.603   4.959  16.138
  569    H    ASP  71           H        ASP  71   5.156   2.853  13.425
  570    HA   ASP  71           HA       ASP  71   4.321   2.035  16.118
  571    HB2  ASP  71           HB2      ASP  71   3.875   0.750  13.962
  572    HB3  ASP  71           HB3      ASP  71   5.600   0.450  13.888
  573    HA   PRO  72           HA       PRO  72   8.467   2.251  17.902
  574    HB2  PRO  72           HB2      PRO  72   7.657  -0.288  19.322
  575    HB3  PRO  72           HB3      PRO  72   8.422   1.184  19.994
  576    HG2  PRO  72           HG2      PRO  72   5.774   0.743  20.323
  577    HG3  PRO  72           HG3      PRO  72   6.361   2.386  19.892
  578    HD2  PRO  72           HD2      PRO  72   5.160   0.277  18.092
  579    HD3  PRO  72           HD3      PRO  72   4.838   2.038  18.156
  580    H    GLU  73           H        GLU  73   7.309  -0.850  16.536
  581    HA   GLU  73           HA       GLU  73  10.133  -1.762  16.087
  582    HB2  GLU  73           HB2      GLU  73   7.531  -3.355  16.170
  583    HB3  GLU  73           HB3      GLU  73   9.156  -3.998  15.891
  584    HG2  GLU  73           HG2      GLU  73   9.816  -3.023  18.138
  585    HG3  GLU  73           HG3      GLU  73   8.110  -2.692  18.437
  586    H    MET  74           H        MET  74   6.915  -1.624  14.521
  587    HA   MET  74           HA       MET  74   7.962  -2.430  11.915
  588    HB2  MET  74           HB2      MET  74   5.223  -1.361  12.719
  589    HB3  MET  74           HB3      MET  74   5.634  -1.947  11.123
  590    HG2  MET  74           HG2      MET  74   6.236  -4.164  12.119
  591    HG3  MET  74           HG3      MET  74   5.716  -3.564  13.697
  592    HE1  MET  74           HE1      MET  74   2.935  -6.143  12.763
  593    HE2  MET  74           HE2      MET  74   4.668  -6.238  12.393
  594    HE3  MET  74           HE3      MET  74   4.130  -5.636  13.977
  595    H    GLY  75           H        GLY  75   7.775   0.653  13.461
  596    HA2  GLY  75           HA2      GLY  75   8.629   2.695  12.720
  597    HA3  GLY  75           HA3      GLY  75   8.906   1.993  11.116
  598    H    GLU  76           H        GLU  76   8.123   4.091  10.333
  599    HA   GLU  76           HA       GLU  76   5.386   4.847  10.672
  600    HB2  GLU  76           HB2      GLU  76   7.477   6.267  10.062
  601    HB3  GLU  76           HB3      GLU  76   7.177   5.729   8.398
  602    HG2  GLU  76           HG2      GLU  76   4.864   6.609   8.580
  603    HG3  GLU  76           HG3      GLU  76   5.176   7.060  10.264
  604    H    ILE  77           H        ILE  77   3.675   3.955   9.807
  605    HA   ILE  77           HA       ILE  77   3.754   2.428   7.256
  606    HB   ILE  77           HB       ILE  77   2.403   0.646   8.382
  607   HG12  ILE  77          HG12      ILE  77   3.328   1.911  10.999
  608   HG13  ILE  77          HG13      ILE  77   1.671   1.899  10.389
  609   HG21  ILE  77          HG21      ILE  77   5.180   0.853   9.580
  610   HG22  ILE  77          HG22      ILE  77   4.265  -0.608   9.136
  611   HG23  ILE  77          HG23      ILE  77   4.860   0.472   7.878
  612   HD11  ILE  77          HD11      ILE  77   1.719  -0.610  10.483
  613   HD12  ILE  77          HD12      ILE  77   3.304  -0.503  11.279
  614   HD13  ILE  77          HD13      ILE  77   1.874   0.195  12.055
  615    H    ILE  78           H        ILE  78   1.828   2.168   6.191
  616    HA   ILE  78           HA       ILE  78  -0.512   3.802   7.116
  617    HB   ILE  78           HB       ILE  78   0.154   2.573   4.426
  618   HG12  ILE  78          HG12      ILE  78  -0.402   5.496   5.019
  619   HG13  ILE  78          HG13      ILE  78   1.223   4.829   5.193
  620   HG21  ILE  78          HG21      ILE  78  -2.229   2.274   4.725
  621   HG22  ILE  78          HG22      ILE  78  -2.412   3.926   5.347
  622   HG23  ILE  78          HG23      ILE  78  -2.011   3.634   3.643
  623   HD11  ILE  78          HD11      ILE  78  -0.404   4.733   2.627
  624   HD12  ILE  78          HD12      ILE  78   0.927   5.836   2.977
  625   HD13  ILE  78          HD13      ILE  78   1.241   4.091   2.865
  626    H    GLN  79           H        GLN  79  -2.252   2.812   7.869
  627    HA   GLN  79           HA       GLN  79  -2.505  -0.163   7.790
  628    HB2  GLN  79           HB2      GLN  79  -3.861   1.994   9.455
  629    HB3  GLN  79           HB3      GLN  79  -4.295   0.284   9.493
  630    HG2  GLN  79           HG2      GLN  79  -2.068  -0.300  10.347
  631    HG3  GLN  79           HG3      GLN  79  -1.553   1.388  10.268
  632   HE21  GLN  79          HE21      GLN  79  -1.425  -0.085  12.694
  633   HE22  GLN  79          HE22      GLN  79  -2.607   0.612  13.786
  634    H    LEU  80           H        LEU  80  -4.138  -1.005   6.529
  635    HA   LEU  80           HA       LEU  80  -6.359   0.758   5.623
  636    HB2  LEU  80           HB2      LEU  80  -4.430  -0.194   3.931
  637    HB3  LEU  80           HB3      LEU  80  -5.470  -1.616   3.989
  638    HG   LEU  80           HG       LEU  80  -7.387  -0.180   3.220
  639   HD11  LEU  80          HD11      LEU  80  -6.852   2.030   2.193
  640   HD12  LEU  80          HD12      LEU  80  -5.187   1.912   2.802
  641   HD13  LEU  80          HD13      LEU  80  -6.539   2.063   3.930
  642   HD21  LEU  80          HD21      LEU  80  -4.870  -0.274   1.494
  643   HD22  LEU  80          HD22      LEU  80  -6.509  -0.010   0.851
  644   HD23  LEU  80          HD23      LEU  80  -6.079  -1.537   1.631
  645    H    GLN  81           H        GLN  81  -8.432  -0.164   5.876
  646    HA   GLN  81           HA       GLN  81  -8.621  -2.329   7.790
  647    HB2  GLN  81           HB2      GLN  81 -10.712  -0.778   6.213
  648    HB3  GLN  81           HB3      GLN  81 -11.116  -2.092   7.317
  649    HG2  GLN  81           HG2      GLN  81  -9.866  -0.861   9.151
  650    HG3  GLN  81           HG3      GLN  81  -9.701   0.509   8.047
  651   HE21  GLN  81          HE21      GLN  81 -12.265  -1.669   9.478
  652   HE22  GLN  81          HE22      GLN  81 -13.444  -0.372   9.591
  653    H    GLY  82           H        GLY  82  -9.076  -4.454   7.606
  654    HA2  GLY  82           HA2      GLY  82  -9.776  -6.457   6.634
  655    HA3  GLY  82           HA3      GLY  82 -10.007  -5.653   5.077
  656    H    ASP  83           H        ASP  83  -8.999  -7.593   4.264
  657    HA   ASP  83           HA       ASP  83  -6.010  -7.676   4.412
  658    HB2  ASP  83           HB2      ASP  83  -7.109  -9.749   5.041
  659    HB3  ASP  83           HB3      ASP  83  -8.031  -9.765   3.537
  660    H    GLN  84           H        GLN  84  -5.416  -6.106   2.971
  661    HA   GLN  84           HA       GLN  84  -6.513  -6.167   0.193
  662    HB2  GLN  84           HB2      GLN  84  -5.426  -3.748   1.628
  663    HB3  GLN  84           HB3      GLN  84  -6.447  -3.790   0.192
  664    HG2  GLN  84           HG2      GLN  84  -7.269  -4.346   3.074
  665    HG3  GLN  84           HG3      GLN  84  -7.715  -2.967   2.104
  666   HE21  GLN  84          HE21      GLN  84  -9.700  -4.226   3.355
  667   HE22  GLN  84          HE22      GLN  84 -10.669  -5.176   2.221
  668    H    ARG  85           H        ARG  85  -4.021  -7.502   1.341
  669    HA   ARG  85           HA       ARG  85  -1.828  -5.999   0.562
  670    HB2  ARG  85           HB2      ARG  85  -0.501  -8.049   0.854
  671    HB3  ARG  85           HB3      ARG  85  -1.665  -7.766   2.146
  672    HG2  ARG  85           HG2      ARG  85  -3.238  -9.381   0.902
  673    HG3  ARG  85           HG3      ARG  85  -1.856  -9.836  -0.081
  674    HD2  ARG  85           HD2      ARG  85  -0.805 -10.942   1.677
  675    HD3  ARG  85           HD3      ARG  85  -1.481  -9.867   2.904
  676    HE   ARG  85           HE       ARG  85  -3.691 -10.911   2.491
  677   HH11  ARG  85          HH11      ARG  85  -0.824 -12.946   1.947
  678   HH12  ARG  85          HH12      ARG  85  -1.700 -14.394   2.338
  679   HH21  ARG  85          HH21      ARG  85  -4.718 -12.734   2.940
  680   HH22  ARG  85          HH22      ARG  85  -3.908 -14.288   2.890
  681    H    ALA  86           H        ALA  86  -3.495  -8.422  -1.444
  682    HA   ALA  86           HA       ALA  86  -1.746  -8.140  -3.734
  683    HB1  ALA  86           HB1      ALA  86  -3.208 -10.099  -3.352
  684    HB2  ALA  86           HB2      ALA  86  -4.651  -9.067  -3.512
  685    HB3  ALA  86           HB3      ALA  86  -3.576  -9.319  -4.903
  686    H    LYS  87           H        LYS  87  -4.727  -6.462  -2.711
  687    HA   LYS  87           HA       LYS  87  -5.109  -4.926  -5.114
  688    HB2  LYS  87           HB2      LYS  87  -5.989  -4.398  -2.238
  689    HB3  LYS  87           HB3      LYS  87  -6.581  -3.545  -3.652
  690    HG2  LYS  87           HG2      LYS  87  -7.468  -5.708  -4.575
  691    HG3  LYS  87           HG3      LYS  87  -6.923  -6.517  -3.089
  692    HD2  LYS  87           HD2      LYS  87  -8.294  -4.773  -1.810
  693    HD3  LYS  87           HD3      LYS  87  -9.036  -4.339  -3.355
  694    HE2  LYS  87           HE2      LYS  87  -9.941  -6.574  -3.638
  695    HE3  LYS  87           HE3      LYS  87  -8.962  -7.197  -2.300
  696    HZ1  LYS  87           HZ1      LYS  87 -10.198  -5.783  -0.788
  697    HZ2  LYS  87           HZ2      LYS  87 -11.219  -6.811  -1.565
  698    HZ3  LYS  87           HZ3      LYS  87 -11.159  -5.233  -2.002
  699    H    VAL  88           H        VAL  88  -3.496  -4.085  -2.013
  700    HA   VAL  88           HA       VAL  88  -2.621  -1.500  -2.962
  701    HB   VAL  88           HB       VAL  88  -1.536  -3.195  -0.690
  702   HG11  VAL  88          HG11      VAL  88  -0.516  -1.067   0.126
  703   HG12  VAL  88          HG12      VAL  88   0.220  -1.589  -1.378
  704   HG13  VAL  88          HG13      VAL  88  -0.971  -0.269  -1.390
  705   HG21  VAL  88          HG21      VAL  88  -3.392  -0.767  -0.733
  706   HG22  VAL  88          HG22      VAL  88  -3.893  -2.430  -0.394
  707   HG23  VAL  88          HG23      VAL  88  -2.806  -1.600   0.724
  708    H    CYS  89           H        CYS  89  -1.011  -4.747  -3.070
  709    HA   CYS  89           HA       CYS  89   1.432  -3.908  -4.246
  710    HB2  CYS  89           HB2      CYS  89   0.898  -6.196  -3.408
  711    HB3  CYS  89           HB3      CYS  89  -0.211  -6.437  -4.761
  712    HG   CYS  89           HG       CYS  89   3.035  -5.723  -4.910
  713    H    GLU  90           H        GLU  90  -1.633  -4.808  -5.900
  714    HA   GLU  90           HA       GLU  90  -0.838  -4.148  -8.513
  715    HB2  GLU  90           HB2      GLU  90  -2.846  -5.455  -7.826
  716    HB3  GLU  90           HB3      GLU  90  -3.634  -3.953  -7.317
  717    HG2  GLU  90           HG2      GLU  90  -3.537  -3.092  -9.607
  718    HG3  GLU  90           HG3      GLU  90  -2.591  -4.497 -10.122
  719    H    PHE  91           H        PHE  91  -2.219  -1.931  -5.985
  720    HA   PHE  91           HA       PHE  91  -2.492   0.366  -7.656
  721    HB2  PHE  91           HB2      PHE  91  -3.511   0.412  -5.495
  722    HB3  PHE  91           HB3      PHE  91  -2.035  -0.049  -4.683
  723    HD1  PHE  91           HD2      PHE  91  -3.471   2.725  -6.763
  724    HD2  PHE  91           HD1      PHE  91  -0.600   1.570  -3.768
  725    HE1  PHE  91           HE2      PHE  91  -2.758   5.091  -6.527
  726    HE2  PHE  91           HE1      PHE  91   0.090   3.941  -3.506
  727    HZ   PHE  91           HZ       PHE  91  -1.001   5.712  -4.893
  728    H    MET  92           H        MET  92   0.263  -0.700  -5.638
  729    HA   MET  92           HA       MET  92   2.002   1.497  -6.148
  730    HB2  MET  92           HB2      MET  92   2.588  -1.406  -5.508
  731    HB3  MET  92           HB3      MET  92   3.780  -0.118  -5.385
  732    HG2  MET  92           HG2      MET  92   1.168   0.020  -3.854
  733    HG3  MET  92           HG3      MET  92   2.500  -0.942  -3.254
  734    HE1  MET  92           HE1      MET  92   1.785   0.508  -1.116
  735    HE2  MET  92           HE2      MET  92   2.038   2.265  -0.987
  736    HE3  MET  92           HE3      MET  92   0.752   1.626  -2.028
  737    H    ILE  93           H        ILE  93   1.485  -1.524  -7.953
  738    HA   ILE  93           HA       ILE  93   3.611  -0.997  -9.904
  739    HB   ILE  93           HB       ILE  93   1.314  -2.994  -9.851
  740   HG12  ILE  93          HG12      ILE  93   4.280  -3.532  -9.353
  741   HG13  ILE  93          HG13      ILE  93   3.170  -3.156  -8.048
  742   HG21  ILE  93          HG21      ILE  93   2.554  -4.235 -11.608
  743   HG22  ILE  93          HG22      ILE  93   2.075  -2.645 -12.186
  744   HG23  ILE  93          HG23      ILE  93   3.757  -2.940 -11.685
  745   HD11  ILE  93          HD11      ILE  93   1.728  -5.100  -8.726
  746   HD12  ILE  93          HD12      ILE  93   3.009  -5.575  -9.870
  747   HD13  ILE  93          HD13      ILE  93   3.341  -5.516  -8.130
  748    H    SER  94           H        SER  94   0.048  -0.697  -9.923
  749    HA   SER  94           HA       SER  94   0.007   0.084 -12.727
  750    HB2  SER  94           HB2      SER  94  -2.205   0.057 -10.644
  751    HB3  SER  94           HB3      SER  94  -2.416   0.175 -12.402
  752    HG   SER  94           HG       SER  94  -1.538  -2.000 -10.830
  753    H    GLN  95           H        GLN  95   0.034   1.993  -9.754
  754    HA   GLN  95           HA       GLN  95  -0.661   4.449 -11.361
  755    HB2  GLN  95           HB2      GLN  95  -1.106   3.847  -8.418
  756    HB3  GLN  95           HB3      GLN  95  -1.452   5.385  -9.197
  757    HG2  GLN  95           HG2      GLN  95  -2.804   2.747  -9.943
  758    HG3  GLN  95           HG3      GLN  95  -3.465   3.950  -8.851
  759   HE21  GLN  95          HE21      GLN  95  -2.483   3.499 -12.329
  760   HE22  GLN  95          HE22      GLN  95  -3.590   4.745 -12.884
  761    H    LEU  96           H        LEU  96   1.609   3.234  -8.822
  762    HA   LEU  96           HA       LEU  96   3.097   5.781  -8.986
  763    HB2  LEU  96           HB2      LEU  96   4.012   3.253  -7.591
  764    HB3  LEU  96           HB3      LEU  96   4.544   4.890  -7.338
  765    HG   LEU  96           HG       LEU  96   1.819   3.780  -6.560
  766   HD11  LEU  96          HD11      LEU  96   2.608   4.167  -4.276
  767   HD12  LEU  96          HD12      LEU  96   4.144   4.819  -4.886
  768   HD13  LEU  96          HD13      LEU  96   3.740   3.113  -5.146
  769   HD21  LEU  96          HD21      LEU  96   1.476   6.109  -7.219
  770   HD22  LEU  96          HD22      LEU  96   2.894   6.621  -6.280
  771   HD23  LEU  96          HD23      LEU  96   1.452   5.997  -5.455
  772    H    GLY  97           H        GLY  97   3.037   2.868 -10.765
  773    HA2  GLY  97           HA2      GLY  97   4.217   2.284 -12.669
  774    HA3  GLY  97           HA3      GLY  97   5.284   3.695 -12.439
  775    H    LEU  98           H        LEU  98   4.989   1.576  -9.693
  776    HA   LEU  98           HA       LEU  98   7.803   0.898  -9.834
  777    HB2  LEU  98           HB2      LEU  98   5.591   0.077  -7.925
  778    HB3  LEU  98           HB3      LEU  98   7.267  -0.381  -7.712
  779    HG   LEU  98           HG       LEU  98   6.352   2.536  -7.863
  780   HD11  LEU  98          HD11      LEU  98   5.335   1.455  -5.930
  781   HD12  LEU  98          HD12      LEU  98   6.637   2.526  -5.396
  782   HD13  LEU  98          HD13      LEU  98   6.905   0.766  -5.460
  783   HD21  LEU  98          HD21      LEU  98   8.742   2.264  -8.403
  784   HD22  LEU  98          HD22      LEU  98   8.975   1.245  -6.963
  785   HD23  LEU  98          HD23      LEU  98   8.570   2.966  -6.793
  786    H    GLN  99           H        GLN  99   8.623  -1.360  -9.639
  787    HA   GLN  99           HA       GLN  99   7.265  -3.118 -11.632
  788    HB2  GLN  99           HB2      GLN  99  10.029  -3.251 -10.360
  789    HB3  GLN  99           HB3      GLN  99   9.385  -4.401 -11.538
  790    HG2  GLN  99           HG2      GLN  99   9.264  -2.674 -13.257
  791    HG3  GLN  99           HG3      GLN  99   9.768  -1.432 -12.109
  792   HE21  GLN  99          HE21      GLN  99  12.018  -1.219 -11.596
  793   HE22  GLN  99          HE22      GLN  99  13.230  -2.209 -12.392
  794    H    LYS 100           H        LYS 100   6.682  -5.275 -11.130
  795    HA   LYS 100           HA       LYS 100   5.570  -5.825  -8.621
  796    HB2  LYS 100           HB2      LYS 100   4.982  -6.982 -10.706
  797    HB3  LYS 100           HB3      LYS 100   6.594  -7.678 -10.817
  798    HG2  LYS 100           HG2      LYS 100   5.046  -9.365 -10.108
  799    HG3  LYS 100           HG3      LYS 100   6.173  -9.046  -8.795
  800    HD2  LYS 100           HD2      LYS 100   4.438  -7.674  -7.643
  801    HD3  LYS 100           HD3      LYS 100   3.324  -7.968  -9.003
  802    HE2  LYS 100           HE2      LYS 100   3.521 -10.432  -8.572
  803    HE3  LYS 100           HE3      LYS 100   4.547 -10.087  -7.173
  804    HZ1  LYS 100           HZ1      LYS 100   1.722  -9.222  -7.492
  805    HZ2  LYS 100           HZ2      LYS 100   2.664  -8.862  -6.202
  806    HZ3  LYS 100           HZ3      LYS 100   2.247 -10.417  -6.508
  807    H    LYS 101           H        LYS 101   8.809  -6.629  -9.793
  808    HA   LYS 101           HA       LYS 101   9.752  -8.221  -7.648
  809    HB2  LYS 101           HB2      LYS 101  11.917  -7.888  -8.592
  810    HB3  LYS 101           HB3      LYS 101  10.742  -8.025  -9.897
  811    HG2  LYS 101           HG2      LYS 101  10.721  -5.441  -9.949
  812    HG3  LYS 101           HG3      LYS 101  12.085  -5.493  -8.837
  813    HD2  LYS 101           HD2      LYS 101  12.914  -5.184 -11.052
  814    HD3  LYS 101           HD3      LYS 101  13.371  -6.813 -10.517
  815    HE2  LYS 101           HE2      LYS 101  11.747  -7.857 -11.921
  816    HE3  LYS 101           HE3      LYS 101  10.837  -6.354 -12.135
  817    HZ1  LYS 101           HZ1      LYS 101  13.557  -6.767 -13.232
  818    HZ2  LYS 101           HZ2      LYS 101  12.565  -5.475 -13.486
  819    HZ3  LYS 101           HZ3      LYS 101  12.176  -6.940 -14.093
  820    H    ASN 102           H        ASN 102   9.183  -4.766  -7.569
  821    HA   ASN 102           HA       ASN 102  11.095  -4.247  -5.404
  822    HB2  ASN 102           HB2      ASN 102   8.745  -2.562  -6.372
  823    HB3  ASN 102           HB3      ASN 102  10.061  -2.046  -5.316
  824   HD21  ASN 102          HD21      ASN 102  12.373  -2.937  -6.614
  825   HD22  ASN 102          HD22      ASN 102  12.456  -2.140  -8.171
  826    H    ILE 103           H        ILE 103   8.076  -5.857  -5.420
  827    HA   ILE 103           HA       ILE 103   7.361  -4.853  -2.685
  828    HB   ILE 103           HB       ILE 103   5.498  -5.985  -4.795
  829   HG12  ILE 103          HG12      ILE 103   6.033  -3.059  -4.076
  830   HG13  ILE 103          HG13      ILE 103   6.485  -3.844  -5.592
  831   HG21  ILE 103          HG21      ILE 103   4.989  -4.500  -2.164
  832   HG22  ILE 103          HG22      ILE 103   3.736  -5.051  -3.289
  833   HG23  ILE 103          HG23      ILE 103   4.714  -6.231  -2.445
  834   HD11  ILE 103          HD11      ILE 103   4.082  -4.297  -6.062
  835   HD12  ILE 103          HD12      ILE 103   3.675  -3.278  -4.655
  836   HD13  ILE 103          HD13      ILE 103   4.554  -2.589  -6.034
  837    H    LYS 104           H        LYS 104   7.275  -6.161  -1.077
  838    HA   LYS 104           HA       LYS 104   7.251  -9.135  -1.413
  839    HB2  LYS 104           HB2      LYS 104   8.007  -7.367   0.952
  840    HB3  LYS 104           HB3      LYS 104   8.030  -9.128   0.945
  841    HG2  LYS 104           HG2      LYS 104   9.834  -7.333  -0.725
  842    HG3  LYS 104           HG3      LYS 104  10.259  -8.155   0.775
  843    HD2  LYS 104           HD2      LYS 104   9.694 -10.363  -0.394
  844    HD3  LYS 104           HD3      LYS 104   9.616  -9.431  -1.910
  845    HE2  LYS 104           HE2      LYS 104  11.945  -8.601  -1.456
  846    HE3  LYS 104           HE3      LYS 104  11.996  -9.593   0.005
  847    HZ1  LYS 104           HZ1      LYS 104  13.058 -10.711  -1.866
  848    HZ2  LYS 104           HZ2      LYS 104  11.689 -10.650  -2.756
  849    HZ3  LYS 104           HZ3      LYS 104  11.745 -11.563  -1.400
  850    H    ILE 105           H        ILE 105   5.367 -10.131  -0.953
  851    HA   ILE 105           HA       ILE 105   3.327  -8.784   0.806
  852    HB   ILE 105           HB       ILE 105   2.983 -10.996  -1.257
  853   HG12  ILE 105          HG12      ILE 105   1.906  -8.132  -1.114
  854   HG13  ILE 105          HG13      ILE 105   3.171  -8.703  -2.201
  855   HG21  ILE 105          HG21      ILE 105   0.564 -10.907  -0.599
  856   HG22  ILE 105          HG22      ILE 105   1.580 -11.457   0.715
  857   HG23  ILE 105          HG23      ILE 105   0.996  -9.782   0.713
  858   HD11  ILE 105          HD11      ILE 105   0.229  -9.456  -2.276
  859   HD12  ILE 105          HD12      ILE 105   1.175  -8.587  -3.485
  860   HD13  ILE 105          HD13      ILE 105   1.487 -10.308  -3.211
  861    H    HIS 106           H        HIS 106   3.326  -9.435   2.816
  862    HA   HIS 106           HA       HIS 106   4.731 -11.966   3.562
  863    HB2  HIS 106           HB2      HIS 106   4.029  -9.436   5.097
  864    HB3  HIS 106           HB3      HIS 106   4.817 -10.847   5.800
  865    HD2  HIS 106           HD2      HIS 106   5.544  -7.801   3.645
  866    HE1  HIS 106           HE1      HIS 106   9.225  -9.909   3.985
  867    HE2  HIS 106           HE2      HIS 106   8.149  -7.724   3.259
  868    H    GLY 107           H        GLY 107   1.566 -10.384   3.954
  869    HA2  GLY 107           HA2      GLY 107  -0.453 -11.164   4.874
  870    HA3  GLY 107           HA3      GLY 107   0.219 -12.802   4.841
  871    H    PHE 108           H        PHE 108  -0.205 -13.539   6.834
  872    HA   PHE 108           HA       PHE 108   1.557 -12.873   8.934
  873    HB2  PHE 108           HB2      PHE 108   0.169 -12.240  10.698
  874    HB3  PHE 108           HB3      PHE 108  -0.049 -11.087   9.419
  875    HD1  PHE 108           HD2      PHE 108  -2.182 -13.437   8.112
  876    HD2  PHE 108           HD1      PHE 108  -1.765 -11.027  11.666
  877    HE1  PHE 108           HE2      PHE 108  -4.618 -13.542   8.469
  878    HE2  PHE 108           HE1      PHE 108  -4.222 -11.132  12.013
  879    HZ   PHE 108           HZ       PHE 108  -5.652 -12.395  10.420
  Start of MODEL   11
    1    H1   MET   1           H        MET   1  -5.814  13.704  41.962
    2    H2   MET   1           H2       MET   1  -6.427  12.583  40.970
    3    H3   MET   1           H3       MET   1  -7.360  13.210  42.141
    4    HA   MET   1           HA       MET   1  -7.972  14.170  39.974
    5    HB2  MET   1           HB2      MET   1  -8.218  15.497  42.073
    6    HB3  MET   1           HB3      MET   1  -6.635  16.224  41.778
    7    HG2  MET   1           HG2      MET   1  -7.484  17.203  39.660
    8    HG3  MET   1           HG3      MET   1  -9.046  16.411  39.915
    9    HE1  MET   1           HE1      MET   1 -10.216  18.715  39.479
   10    HE2  MET   1           HE2      MET   1  -9.816  20.212  40.344
   11    HE3  MET   1           HE3      MET   1  -8.627  19.476  39.251
   12    H    SER   2           H        SER   2  -7.423  15.113  38.024
   13    HA   SER   2           HA       SER   2  -4.542  15.728  37.458
   14    HB2  SER   2           HB2      SER   2  -6.504  14.255  35.656
   15    HB3  SER   2           HB3      SER   2  -4.872  14.781  35.207
   16    HG   SER   2           HG       SER   2  -4.942  12.559  35.859
   17    H    ILE   3           H        ILE   3  -4.188  17.391  35.925
   18    HA   ILE   3           HA       ILE   3  -6.496  19.009  34.990
   19    HB   ILE   3           HB       ILE   3  -5.435  21.084  35.764
   20   HG12  ILE   3          HG12      ILE   3  -3.621  19.344  37.497
   21   HG13  ILE   3          HG13      ILE   3  -3.102  20.195  36.038
   22   HG21  ILE   3          HG21      ILE   3  -6.095  19.252  38.101
   23   HG22  ILE   3          HG22      ILE   3  -6.298  21.013  38.008
   24   HG23  ILE   3          HG23      ILE   3  -7.298  19.967  37.004
   25   HD11  ILE   3          HD11      ILE   3  -2.483  21.518  37.941
   26   HD12  ILE   3          HD12      ILE   3  -3.790  22.359  37.079
   27   HD13  ILE   3          HD13      ILE   3  -4.130  21.480  38.591
   28    H    GLU   4           H        GLU   4  -5.876  20.670  33.424
   29    HA   GLU   4           HA       GLU   4  -3.312  20.612  32.111
   30    HB2  GLU   4           HB2      GLU   4  -4.048  19.782  29.940
   31    HB3  GLU   4           HB3      GLU   4  -4.189  18.532  31.169
   32    HG2  GLU   4           HG2      GLU   4  -6.655  19.014  31.332
   33    HG3  GLU   4           HG3      GLU   4  -6.480  20.185  30.020
   34    H    ASN   5           H        ASN   5  -3.220  22.156  30.317
   35    HA   ASN   5           HA       ASN   5  -5.341  24.032  29.799
   36    HB2  ASN   5           HB2      ASN   5  -4.294  26.003  30.885
   37    HB3  ASN   5           HB3      ASN   5  -4.887  24.828  32.040
   38   HD21  ASN   5          HD21      ASN   5  -3.382  23.759  33.433
   39   HD22  ASN   5          HD22      ASN   5  -1.687  24.212  33.471
   40    H    LEU   6           H        LEU   6  -4.748  25.699  28.370
   41    HA   LEU   6           HA       LEU   6  -3.801  26.749  26.623
   42    HB2  LEU   6           HB2      LEU   6  -1.140  25.579  27.538
   43    HB3  LEU   6           HB3      LEU   6  -1.360  26.846  26.349
   44    HG   LEU   6           HG       LEU   6  -2.152  27.086  29.284
   45   HD11  LEU   6          HD11      LEU   6   0.234  28.234  27.774
   46   HD12  LEU   6          HD12      LEU   6   0.291  26.922  28.972
   47   HD13  LEU   6          HD13      LEU   6  -0.184  28.553  29.472
   48   HD21  LEU   6          HD21      LEU   6  -3.531  28.567  27.897
   49   HD22  LEU   6          HD22      LEU   6  -2.083  29.169  27.056
   50   HD23  LEU   6          HD23      LEU   6  -2.334  29.517  28.780
   51    H    LYS   7           H        LYS   7  -2.347  23.469  26.771
   52    HA   LYS   7           HA       LYS   7  -2.237  23.218  23.894
   53    HB2  LYS   7           HB2      LYS   7  -1.502  20.955  24.302
   54    HB3  LYS   7           HB3      LYS   7  -0.675  22.070  25.387
   55    HG2  LYS   7           HG2      LYS   7  -2.222  21.391  27.241
   56    HG3  LYS   7           HG3      LYS   7  -3.010  20.247  26.137
   57    HD2  LYS   7           HD2      LYS   7  -0.860  19.055  25.828
   58    HD3  LYS   7           HD3      LYS   7  -0.067  20.201  26.933
   59    HE2  LYS   7           HE2      LYS   7  -1.605  19.510  28.757
   60    HE3  LYS   7           HE3      LYS   7  -2.411  18.380  27.658
   61    HZ1  LYS   7           HZ1      LYS   7  -0.752  17.255  29.023
   62    HZ2  LYS   7           HZ2      LYS   7   0.442  18.223  28.470
   63    HZ3  LYS   7           HZ3      LYS   7  -0.303  17.179  27.455
   64    H    SER   8           H        SER   8  -3.361  21.776  22.528
   65    HA   SER   8           HA       SER   8  -5.763  20.366  23.205
   66    HB2  SER   8           HB2      SER   8  -6.538  22.814  23.344
   67    HB3  SER   8           HB3      SER   8  -6.245  22.899  21.602
   68    HG   SER   8           HG       SER   8  -8.437  22.338  22.155
   69    H    PHE   9           H        PHE   9  -6.942  19.744  21.070
   70    HA   PHE   9           HA       PHE   9  -4.944  18.859  19.088
   71    HB2  PHE   9           HB2      PHE   9  -6.604  17.261  19.893
   72    HB3  PHE   9           HB3      PHE   9  -7.920  18.330  19.423
   73    HD1  PHE   9           HD1      PHE   9  -5.087  16.288  18.057
   74    HD2  PHE   9           HD2      PHE   9  -8.800  18.308  17.192
   75    HE1  PHE   9           HE1      PHE   9  -5.089  15.316  15.771
   76    HE2  PHE   9           HE2      PHE   9  -8.794  17.337  14.907
   77    HZ   PHE   9           HZ       PHE   9  -6.937  15.844  14.191
   78    H    ASP  10           H        ASP  10  -5.081  19.265  16.877
   79    HA   ASP  10           HA       ASP  10  -7.104  20.957  15.743
   80    HB2  ASP  10           HB2      ASP  10  -5.717  22.697  14.827
   81    HB3  ASP  10           HB3      ASP  10  -5.599  22.716  16.575
   82    HA   PRO  11           HA       PRO  11  -6.115  18.131  12.549
   83    HB2  PRO  11           HB2      PRO  11  -7.699  18.961  10.489
   84    HB3  PRO  11           HB3      PRO  11  -8.360  18.426  12.063
   85    HG2  PRO  11           HG2      PRO  11  -7.793  21.272  11.187
   86    HG3  PRO  11           HG3      PRO  11  -9.328  20.606  11.836
   87    HD2  PRO  11           HD2      PRO  11  -7.548  21.835  13.479
   88    HD3  PRO  11           HD3      PRO  11  -8.434  20.379  14.006
   89    H    PHE  12           H        PHE  12  -4.537  21.011  12.435
   90    HA   PHE  12           HA       PHE  12  -3.875  21.111   9.582
   91    HB2  PHE  12           HB2      PHE  12  -3.131  22.874  11.939
   92    HB3  PHE  12           HB3      PHE  12  -2.633  23.156  10.286
   93    HD1  PHE  12           HD1      PHE  12  -5.812  22.615  12.282
   94    HD2  PHE  12           HD2      PHE  12  -3.919  24.547   8.918
   95    HE1  PHE  12           HE1      PHE  12  -7.873  23.930  11.870
   96    HE2  PHE  12           HE2      PHE  12  -5.992  25.838   8.497
   97    HZ   PHE  12           HZ       PHE  12  -7.973  25.537   9.973
   98    H    ALA  13           H        ALA  13  -2.996  18.870   9.860
   99    HA   ALA  13           HA       ALA  13  -0.457  18.347  11.053
  100    HB1  ALA  13           HB1      ALA  13  -0.510  16.329   9.623
  101    HB2  ALA  13           HB2      ALA  13  -2.088  16.608  10.381
  102    HB3  ALA  13           HB3      ALA  13  -1.833  17.025   8.668
  103    H    ASP  14           H        ASP  14   1.550  17.823   9.952
  104    HA   ASP  14           HA       ASP  14   2.617  20.042   8.540
  105    HB2  ASP  14           HB2      ASP  14   3.898  18.607  10.063
  106    HB3  ASP  14           HB3      ASP  14   3.711  17.238   8.964
  107    H    THR  15           H        THR  15   3.079  20.465   6.449
  108    HA   THR  15           HA       THR  15   1.766  19.001   4.301
  109    HB   THR  15           HB       THR  15   2.967  20.718   2.873
  110    HG1  THR  15           HG1      THR  15   3.925  22.429   4.016
  111   HG21  THR  15          HG21      THR  15   1.267  21.792   5.175
  112   HG22  THR  15          HG22      THR  15   0.647  21.050   3.684
  113   HG23  THR  15          HG23      THR  15   1.537  22.580   3.605
  114    H    GLY  16           H        GLY  16   5.102  19.388   5.426
  115    HA2  GLY  16           HA2      GLY  16   6.801  17.772   5.327
  116    HA3  GLY  16           HA3      GLY  16   5.914  16.873   4.083
  117    H    ASP  17           H        ASP  17   8.412  16.960   3.659
  118    HA   ASP  17           HA       ASP  17   8.882  18.760   1.352
  119    HB2  ASP  17           HB2      ASP  17  10.781  18.389   3.711
  120    HB3  ASP  17           HB3      ASP  17  11.276  19.026   2.151
  121    H    ASP  18           H        ASP  18  10.760  17.966   0.042
  122    HA   ASP  18           HA       ASP  18  11.469  15.121   0.326
  123    HB2  ASP  18           HB2      ASP  18   9.348  15.054  -0.916
  124    HB3  ASP  18           HB3      ASP  18   9.975  16.218  -2.087
  125    H    GLU  19           H        GLU  19  13.210  14.490  -0.880
  126    HA   GLU  19           HA       GLU  19  14.796  16.357  -2.505
  127    HB2  GLU  19           HB2      GLU  19  15.875  15.302   0.153
  128    HB3  GLU  19           HB3      GLU  19  16.861  16.006  -1.129
  129    HG2  GLU  19           HG2      GLU  19  15.543  18.138  -0.917
  130    HG3  GLU  19           HG3      GLU  19  14.729  17.444   0.494
  131    H    THR  20           H        THR  20  14.619  13.194  -0.835
  132    HA   THR  20           HA       THR  20  15.258  11.611  -3.129
  133    HB   THR  20           HB       THR  20  17.525  12.540  -2.600
  134    HG1  THR  20           HG1      THR  20  18.472  10.531  -2.821
  135   HG21  THR  20          HG21      THR  20  17.354  12.588  -0.107
  136   HG22  THR  20          HG22      THR  20  18.768  11.696  -0.688
  137   HG23  THR  20          HG23      THR  20  17.350  10.811  -0.089
  138    H    ALA  21           H        ALA  21  15.794   9.279  -2.257
  139    HA   ALA  21           HA       ALA  21  14.319   8.515   0.162
  140    HB1  ALA  21           HB1      ALA  21  12.494   8.872  -1.470
  141    HB2  ALA  21           HB2      ALA  21  13.290   7.776  -2.620
  142    HB3  ALA  21           HB3      ALA  21  12.655   7.147  -1.088
  143    H    THR  22           H        THR  22  14.180   6.025   0.275
  144    HA   THR  22           HA       THR  22  16.310   4.530  -1.044
  145    HB   THR  22           HB       THR  22  17.492   5.866   0.710
  146    HG1  THR  22           HG1      THR  22  18.690   4.081   1.326
  147   HG21  THR  22          HG21      THR  22  16.044   4.032   2.678
  148   HG22  THR  22          HG22      THR  22  15.759   5.778   2.509
  149   HG23  THR  22          HG23      THR  22  17.339   5.190   3.046
  150    H    SER  23           H        SER  23  16.558   2.420   0.095
  151    HA   SER  23           HA       SER  23  15.783   0.348   0.704
  152    HB2  SER  23           HB2      SER  23  14.030   1.372   2.194
  153    HB3  SER  23           HB3      SER  23  12.914   1.308   0.808
  154    HG   SER  23           HG       SER  23  12.710  -0.598   2.005
  155    H    ASN  24           H        ASN  24  15.526  -1.336  -0.655
  156    HA   ASN  24           HA       ASN  24  14.414  -0.831  -3.359
  157    HB2  ASN  24           HB2      ASN  24  15.669  -2.672  -4.086
  158    HB3  ASN  24           HB3      ASN  24  16.738  -1.771  -3.024
  159   HD21  ASN  24          HD21      ASN  24  15.429  -4.854  -3.706
  160   HD22  ASN  24          HD22      ASN  24  15.853  -5.638  -2.197
  161    H    TYR  25           H        TYR  25  13.307  -2.152  -0.406
  162    HA   TYR  25           HA       TYR  25  11.231  -3.737  -1.842
  163    HB2  TYR  25           HB2      TYR  25  12.577  -4.409   0.775
  164    HB3  TYR  25           HB3      TYR  25  11.078  -5.147   0.229
  165    HD1  TYR  25           HD1      TYR  25  11.296  -5.864  -2.481
  166    HD2  TYR  25           HD2      TYR  25  14.350  -5.934   0.562
  167    HE1  TYR  25           HE1      TYR  25  12.535  -7.583  -3.775
  168    HE2  TYR  25           HE2      TYR  25  15.553  -7.722  -0.688
  169    HH   TYR  25           HH       TYR  25  14.379  -8.964  -3.849
  170    H    ILE  26           H        ILE  26   9.268  -3.317  -1.529
  171    HA   ILE  26           HA       ILE  26   8.246  -1.608   0.715
  172    HB   ILE  26           HB       ILE  26   6.905  -2.475  -1.886
  173   HG12  ILE  26          HG12      ILE  26   8.325   0.116  -1.173
  174   HG13  ILE  26          HG13      ILE  26   8.734  -1.010  -2.460
  175   HG21  ILE  26          HG21      ILE  26   5.148  -0.863  -1.286
  176   HG22  ILE  26          HG22      ILE  26   5.341  -2.020   0.018
  177   HG23  ILE  26          HG23      ILE  26   6.041  -0.396   0.179
  178   HD11  ILE  26          HD11      ILE  26   6.307   0.805  -2.391
  179   HD12  ILE  26          HD12      ILE  26   7.702   0.867  -3.478
  180   HD13  ILE  26          HD13      ILE  26   6.564  -0.494  -3.586
  181    H    HIS  27           H        HIS  27   7.050  -2.613   2.264
  182    HA   HIS  27           HA       HIS  27   6.624  -5.570   1.979
  183    HB2  HIS  27           HB2      HIS  27   7.230  -3.922   4.455
  184    HB3  HIS  27           HB3      HIS  27   6.997  -5.662   4.400
  185    HD2  HIS  27           HD2      HIS  27   9.600  -2.973   3.982
  186    HE1  HIS  27           HE1      HIS  27  11.523  -6.566   2.758
  187    HE2  HIS  27           HE2      HIS  27  11.881  -4.109   3.344
  188    H    ILE  28           H        ILE  28   4.534  -6.070   1.766
  189    HA   ILE  28           HA       ILE  28   2.463  -4.427   3.210
  190    HB   ILE  28           HB       ILE  28   1.989  -6.265   0.840
  191   HG12  ILE  28          HG12      ILE  28   2.050  -3.210   0.817
  192   HG13  ILE  28          HG13      ILE  28   3.398  -4.201   0.259
  193   HG21  ILE  28          HG21      ILE  28  -0.221  -4.910   0.876
  194   HG22  ILE  28          HG22      ILE  28   0.003  -6.025   2.225
  195   HG23  ILE  28          HG23      ILE  28   0.279  -4.282   2.437
  196   HD11  ILE  28          HD11      ILE  28   1.948  -5.273  -1.436
  197   HD12  ILE  28          HD12      ILE  28   0.636  -4.163  -0.988
  198   HD13  ILE  28          HD13      ILE  28   2.139  -3.523  -1.655
  199    H    ARG  29           H        ARG  29   2.044  -5.229   5.056
  200    HA   ARG  29           HA       ARG  29   2.102  -8.166   5.620
  201    HB2  ARG  29           HB2      ARG  29   2.530  -5.804   7.495
  202    HB3  ARG  29           HB3      ARG  29   2.749  -7.513   7.882
  203    HG2  ARG  29           HG2      ARG  29   4.663  -7.589   6.274
  204    HG3  ARG  29           HG3      ARG  29   4.442  -5.861   5.948
  205    HD2  ARG  29           HD2      ARG  29   4.779  -5.405   8.390
  206    HD3  ARG  29           HD3      ARG  29   5.164  -7.111   8.632
  207    HE   ARG  29           HE       ARG  29   6.847  -5.029   7.460
  208   HH11  ARG  29          HH11      ARG  29   6.476  -8.558   7.531
  209   HH12  ARG  29          HH12      ARG  29   8.104  -8.802   6.981
  210   HH21  ARG  29          HH21      ARG  29   8.832  -5.389   6.828
  211   HH22  ARG  29          HH22      ARG  29   9.466  -7.007   6.594
  212    H    ILE  30           H        ILE  30   0.675  -8.656   7.632
  213    HA   ILE  30           HA       ILE  30  -1.719  -6.872   7.842
  214    HB   ILE  30           HB       ILE  30  -1.775  -9.909   7.746
  215   HG12  ILE  30          HG12      ILE  30  -3.051  -7.833   5.898
  216   HG13  ILE  30          HG13      ILE  30  -1.619  -8.784   5.506
  217   HG21  ILE  30          HG21      ILE  30  -4.071  -7.951   8.205
  218   HG22  ILE  30          HG22      ILE  30  -4.210  -9.713   8.094
  219   HG23  ILE  30          HG23      ILE  30  -3.366  -9.008   9.448
  220   HD11  ILE  30          HD11      ILE  30  -4.412  -9.897   5.920
  221   HD12  ILE  30          HD12      ILE  30  -3.514  -9.756   4.412
  222   HD13  ILE  30          HD13      ILE  30  -2.947 -10.878   5.669
  223    H    GLN  31           H        GLN  31  -2.475  -6.548   9.861
  224    HA   GLN  31           HA       GLN  31  -0.608  -7.104  12.088
  225    HB2  GLN  31           HB2      GLN  31  -1.382  -4.818  11.705
  226    HB3  GLN  31           HB3      GLN  31  -3.065  -5.344  11.705
  227    HG2  GLN  31           HG2      GLN  31  -2.487  -4.188  13.783
  228    HG3  GLN  31           HG3      GLN  31  -3.006  -5.836  14.073
  229   HE21  GLN  31          HE21      GLN  31  -1.804  -6.773  15.704
  230   HE22  GLN  31          HE22      GLN  31  -0.085  -6.464  15.969
  231    H    GLN  32           H        GLN  32  -0.976  -8.651  13.604
  232    HA   GLN  32           HA       GLN  32  -3.361 -10.285  13.575
  233    HB2  GLN  32           HB2      GLN  32  -2.367 -11.524  15.332
  234    HB3  GLN  32           HB3      GLN  32  -1.141 -11.212  14.122
  235    HG2  GLN  32           HG2      GLN  32  -1.401  -9.668  16.753
  236    HG3  GLN  32           HG3      GLN  32  -0.406 -11.091  16.533
  237   HE21  GLN  32          HE21      GLN  32   0.962  -9.003  17.476
  238   HE22  GLN  32          HE22      GLN  32   1.951  -8.303  16.203
  239    H    ARG  33           H        ARG  33  -4.973 -10.498  15.158
  240    HA   ARG  33           HA       ARG  33  -5.393  -8.399  17.137
  241    HB2  ARG  33           HB2      ARG  33  -7.472  -7.539  15.916
  242    HB3  ARG  33           HB3      ARG  33  -5.903  -6.984  15.386
  243    HG2  ARG  33           HG2      ARG  33  -7.413  -7.392  13.525
  244    HG3  ARG  33           HG3      ARG  33  -5.959  -8.357  13.418
  245    HD2  ARG  33           HD2      ARG  33  -7.822  -9.658  12.668
  246    HD3  ARG  33           HD3      ARG  33  -7.214 -10.359  14.156
  247    HE   ARG  33           HE       ARG  33  -9.503  -8.437  14.276
  248   HH11  ARG  33          HH11      ARG  33  -8.529 -11.823  14.671
  249   HH12  ARG  33          HH12      ARG  33 -10.144 -12.313  15.087
  250   HH21  ARG  33          HH22      ARG  33 -11.468  -9.097  14.852
  251   HH22  ARG  33          HH21      ARG  33 -11.801 -10.770  15.241
  252    H    ASN  34           H        ASN  34  -7.418  -8.422  18.174
  253    HA   ASN  34           HA       ASN  34  -9.369 -10.510  17.724
  254    HB2  ASN  34           HB2      ASN  34  -9.309 -11.505  19.934
  255    HB3  ASN  34           HB3      ASN  34  -7.771 -11.759  19.127
  256   HD21  ASN  34          HD21      ASN  34  -9.321 -10.441  21.957
  257   HD22  ASN  34          HD22      ASN  34  -7.868  -9.772  22.674
  258    H    GLY  35           H        GLY  35 -11.402  -9.862  18.451
  259    HA2  GLY  35           HA2      GLY  35 -13.054  -8.489  19.314
  260    HA3  GLY  35           HA3      GLY  35 -11.836  -7.723  20.355
  261    H    ARG  36           H        ARG  36 -11.118  -7.590  16.981
  262    HA   ARG  36           HA       ARG  36 -12.417  -5.048  16.392
  263    HB2  ARG  36           HB2      ARG  36 -10.421  -3.690  16.250
  264    HB3  ARG  36           HB3      ARG  36 -10.599  -4.300  17.890
  265    HG2  ARG  36           HG2      ARG  36  -8.903  -6.075  17.409
  266    HG3  ARG  36           HG3      ARG  36  -8.695  -5.426  15.777
  267    HD2  ARG  36           HD2      ARG  36  -8.138  -3.919  18.363
  268    HD3  ARG  36           HD3      ARG  36  -6.929  -4.703  17.354
  269    HE   ARG  36           HE       ARG  36  -7.414  -3.160  15.543
  270   HH11  ARG  36          HH11      ARG  36  -8.672  -2.094  18.684
  271   HH12  ARG  36          HH12      ARG  36  -8.758  -0.435  18.176
  272   HH21  ARG  36          HH21      ARG  36  -7.546  -1.007  14.975
  273   HH22  ARG  36          HH22      ARG  36  -8.127   0.168  16.116
  274    H    LYS  37           H        LYS  37 -11.604  -4.145  14.240
  275    HA   LYS  37           HA       LYS  37 -11.715  -6.197  12.227
  276    HB2  LYS  37           HB2      LYS  37 -11.078  -3.218  12.072
  277    HB3  LYS  37           HB3      LYS  37 -11.278  -4.264  10.663
  278    HG2  LYS  37           HG2      LYS  37 -13.595  -4.811  11.379
  279    HG3  LYS  37           HG3      LYS  37 -13.426  -3.698  12.754
  280    HD2  LYS  37           HD2      LYS  37 -13.018  -1.817  11.204
  281    HD3  LYS  37           HD3      LYS  37 -13.125  -2.921   9.816
  282    HE2  LYS  37           HE2      LYS  37 -15.465  -3.473  10.429
  283    HE3  LYS  37           HE3      LYS  37 -15.372  -2.370  11.809
  284    HZ1  LYS  37           HZ1      LYS  37 -15.029  -1.541   8.977
  285    HZ2  LYS  37           HZ2      LYS  37 -15.038  -0.541  10.265
  286    HZ3  LYS  37           HZ3      LYS  37 -16.404  -1.336   9.847
  287    H    THR  38           H        THR  38 -10.250  -6.904  10.723
  288    HA   THR  38           HA       THR  38  -7.418  -7.077  11.318
  289    HB   THR  38           HB       THR  38  -8.930  -7.730   8.756
  290    HG1  THR  38           HG1      THR  38  -9.083  -9.783   9.702
  291   HG21  THR  38          HG21      THR  38  -6.261  -8.723   9.872
  292   HG22  THR  38          HG22      THR  38  -6.505  -7.763   8.391
  293   HG23  THR  38          HG23      THR  38  -7.102  -9.421   8.470
  294    H    LEU  39           H        LEU  39  -5.697  -6.037  10.327
  295    HA   LEU  39           HA       LEU  39  -6.301  -3.753   8.500
  296    HB2  LEU  39           HB2      LEU  39  -4.416  -3.729  10.890
  297    HB3  LEU  39           HB3      LEU  39  -4.571  -2.436   9.714
  298    HG   LEU  39           HG       LEU  39  -6.807  -3.354  11.582
  299   HD11  LEU  39          HD11      LEU  39  -4.918  -2.357  12.812
  300   HD12  LEU  39          HD12      LEU  39  -6.330  -1.284  12.823
  301   HD13  LEU  39          HD13      LEU  39  -4.968  -0.938  11.741
  302   HD21  LEU  39          HD21      LEU  39  -7.718  -2.297   9.573
  303   HD22  LEU  39          HD22      LEU  39  -6.584  -0.938   9.718
  304   HD23  LEU  39          HD23      LEU  39  -7.864  -1.182  10.928
  305    H    THR  40           H        THR  40  -5.061  -3.605   6.805
  306    HA   THR  40           HA       THR  40  -2.685  -5.332   6.347
  307    HB   THR  40           HB       THR  40  -4.358  -3.495   4.573
  308    HG1  THR  40           HG1      THR  40  -5.071  -5.606   5.289
  309   HG21  THR  40          HG21      THR  40  -2.020  -3.433   3.729
  310   HG22  THR  40          HG22      THR  40  -3.027  -4.451   2.690
  311   HG23  THR  40          HG23      THR  40  -1.920  -5.206   3.858
  312    H    THR  41           H        THR  41  -0.744  -4.570   6.883
  313    HA   THR  41           HA       THR  41  -0.331  -1.668   7.386
  314    HB   THR  41           HB       THR  41   1.775  -2.721   8.591
  315    HG1  THR  41           HG1      THR  41   1.164  -4.691   9.565
  316   HG21  THR  41          HG21      THR  41  -1.063  -2.799   9.711
  317   HG22  THR  41          HG22      THR  41  -0.015  -1.362   9.609
  318   HG23  THR  41          HG23      THR  41   0.440  -2.714  10.661
  319    H    VAL  42           H        VAL  42   0.622  -0.585   5.919
  320    HA   VAL  42           HA       VAL  42   2.436  -1.922   3.948
  321    HB   VAL  42           HB       VAL  42   1.301   0.881   3.785
  322   HG11  VAL  42          HG11      VAL  42   1.846   0.640   1.370
  323   HG12  VAL  42          HG12      VAL  42   3.291   0.522   2.379
  324   HG13  VAL  42          HG13      VAL  42   2.572  -0.950   1.699
  325   HG21  VAL  42          HG21      VAL  42  -0.592  -0.706   3.795
  326   HG22  VAL  42          HG22      VAL  42  -0.357  -0.007   2.199
  327   HG23  VAL  42          HG23      VAL  42   0.205  -1.668   2.530
  328    H    GLN  43           H        GLN  43   4.524  -1.639   4.036
  329    HA   GLN  43           HA       GLN  43   5.819   0.587   5.567
  330    HB2  GLN  43           HB2      GLN  43   5.588  -1.425   6.973
  331    HB3  GLN  43           HB3      GLN  43   6.223  -2.432   5.692
  332    HG2  GLN  43           HG2      GLN  43   8.454  -1.275   5.930
  333    HG3  GLN  43           HG3      GLN  43   7.777  -0.346   7.275
  334   HE21  GLN  43          HE21      GLN  43   8.323  -1.267   9.272
  335   HE22  GLN  43          HE22      GLN  43   8.633  -2.992   9.484
  336    H    GLY  44           H        GLY  44   8.083   0.955   4.889
  337    HA2  GLY  44           HA2      GLY  44   9.947   0.835   3.552
  338    HA3  GLY  44           HA3      GLY  44   9.279  -0.632   2.809
  339    H    VAL  45           H        VAL  45   6.918   1.448   2.169
  340    HA   VAL  45           HA       VAL  45   7.486   1.996  -0.524
  341    HB   VAL  45           HB       VAL  45   5.255   2.120   0.334
  342   HG11  VAL  45          HG11      VAL  45   4.345   4.001   1.551
  343   HG12  VAL  45          HG12      VAL  45   5.650   3.281   2.504
  344   HG13  VAL  45          HG13      VAL  45   5.927   4.796   1.614
  345   HG21  VAL  45          HG21      VAL  45   5.798   3.258  -1.797
  346   HG22  VAL  45          HG22      VAL  45   4.464   4.045  -0.946
  347   HG23  VAL  45          HG23      VAL  45   6.079   4.776  -0.911
  348    HA   PRO  46           HA       PRO  46  10.783   4.980  -0.362
  349    HB2  PRO  46           HB2      PRO  46   9.482   5.920  -2.928
  350    HB3  PRO  46           HB3      PRO  46  11.205   5.720  -2.585
  351    HG2  PRO  46           HG2      PRO  46   9.901   3.790  -3.939
  352    HG3  PRO  46           HG3      PRO  46  10.998   3.317  -2.600
  353    HD2  PRO  46           HD2      PRO  46   7.978   3.557  -2.558
  354    HD3  PRO  46           HD3      PRO  46   9.041   2.292  -1.866
  355    H    GLU  47           H        GLU  47  11.043   6.967   0.532
  356    HA   GLU  47           HA       GLU  47   8.801   8.257   1.629
  357    HB2  GLU  47           HB2      GLU  47  11.153   8.036   2.534
  358    HB3  GLU  47           HB3      GLU  47  11.648   9.341   1.451
  359    HG2  GLU  47           HG2      GLU  47  10.167  10.908   2.619
  360    HG3  GLU  47           HG3      GLU  47   9.463   9.593   3.567
  361    H    GLU  48           H        GLU  48  10.156   8.788  -1.469
  362    HA   GLU  48           HA       GLU  48   9.349  11.542  -1.868
  363    HB2  GLU  48           HB2      GLU  48   9.738  11.124  -4.215
  364    HB3  GLU  48           HB3      GLU  48  11.071  10.491  -3.251
  365    HG2  GLU  48           HG2      GLU  48  10.156   8.192  -3.491
  366    HG3  GLU  48           HG3      GLU  48   8.815   8.819  -4.455
  367    H    TYR  49           H        TYR  49   7.554   8.558  -1.711
  368    HA   TYR  49           HA       TYR  49   5.183   9.696  -3.082
  369    HB2  TYR  49           HB2      TYR  49   5.640   6.995  -1.771
  370    HB3  TYR  49           HB3      TYR  49   4.183   7.501  -2.606
  371    HD1  TYR  49           HD1      TYR  49   4.447   8.287  -5.096
  372    HD2  TYR  49           HD2      TYR  49   7.351   5.888  -2.999
  373    HE1  TYR  49           HE1      TYR  49   5.345   7.483  -7.270
  374    HE2  TYR  49           HE2      TYR  49   8.255   5.089  -5.170
  375    HH   TYR  49           HH       TYR  49   6.865   6.103  -8.320
  376    H    ASP  50           H        ASP  50   3.715  10.817  -1.993
  377    HA   ASP  50           HA       ASP  50   3.847  11.197   0.877
  378    HB2  ASP  50           HB2      ASP  50   3.290  13.026  -0.604
  379    HB3  ASP  50           HB3      ASP  50   1.914  12.140  -1.264
  380    H    LEU  51           H        LEU  51   2.982   9.956   2.391
  381    HA   LEU  51           HA       LEU  51   1.362   7.672   1.874
  382    HB2  LEU  51           HB2      LEU  51   1.717   9.204   4.481
  383    HB3  LEU  51           HB3      LEU  51   1.151   7.542   4.320
  384    HG   LEU  51           HG       LEU  51   3.952   8.606   3.779
  385   HD11  LEU  51          HD11      LEU  51   4.546   7.142   5.674
  386   HD12  LEU  51          HD12      LEU  51   2.849   6.639   5.837
  387   HD13  LEU  51          HD13      LEU  51   3.312   8.327   6.146
  388   HD21  LEU  51          HD21      LEU  51   4.651   6.286   3.358
  389   HD22  LEU  51          HD22      LEU  51   3.506   6.822   2.126
  390   HD23  LEU  51          HD23      LEU  51   2.969   5.738   3.433
  391    H    LYS  52           H        LYS  52   0.444  10.933   2.943
  392    HA   LYS  52           HA       LYS  52  -2.349  10.497   3.343
  393    HB2  LYS  52           HB2      LYS  52  -0.888  12.979   2.381
  394    HB3  LYS  52           HB3      LYS  52  -2.525  12.948   3.018
  395    HG2  LYS  52           HG2      LYS  52  -1.769  12.312   5.220
  396    HG3  LYS  52           HG3      LYS  52  -0.108  12.069   4.671
  397    HD2  LYS  52           HD2      LYS  52  -1.540  14.758   4.591
  398    HD3  LYS  52           HD3      LYS  52  -0.476  14.221   5.902
  399    HE2  LYS  52           HE2      LYS  52   1.405  13.963   4.304
  400    HE3  LYS  52           HE3      LYS  52   0.367  14.477   2.978
  401    HZ1  LYS  52           HZ1      LYS  52   1.701  16.304   3.767
  402    HZ2  LYS  52           HZ2      LYS  52   1.134  16.175   5.292
  403    HZ3  LYS  52           HZ3      LYS  52   0.128  16.631   4.080
  404    H    ARG  53           H        ARG  53  -0.531  11.188   0.331
  405    HA   ARG  53           HA       ARG  53  -2.871  11.317  -1.355
  406    HB2  ARG  53           HB2      ARG  53  -0.673  12.307  -1.961
  407    HB3  ARG  53           HB3      ARG  53   0.016  10.690  -2.094
  408    HG2  ARG  53           HG2      ARG  53  -0.473  11.535  -4.289
  409    HG3  ARG  53           HG3      ARG  53  -1.534  10.166  -3.960
  410    HD2  ARG  53           HD2      ARG  53  -3.392  11.743  -3.445
  411    HD3  ARG  53           HD3      ARG  53  -2.297  13.111  -3.741
  412    HE   ARG  53           HE       ARG  53  -2.351  11.327  -5.997
  413   HH11  ARG  53          HH11      ARG  53  -4.307  13.871  -4.503
  414   HH12  ARG  53          HH12      ARG  53  -5.101  14.263  -6.000
  415   HH21  ARG  53          HH21      ARG  53  -3.410  11.888  -7.891
  416   HH22  ARG  53          HH22      ARG  53  -4.598  13.154  -7.888
  417    H    ILE  54           H        ILE  54  -0.744   8.619  -0.328
  418    HA   ILE  54           HA       ILE  54  -1.943   6.555  -1.970
  419    HB   ILE  54           HB       ILE  54  -0.592   6.355   0.741
  420   HG12  ILE  54          HG12      ILE  54   0.428   5.804  -2.083
  421   HG13  ILE  54          HG13      ILE  54   0.810   7.234  -1.152
  422   HG21  ILE  54          HG21      ILE  54  -1.497   4.197  -1.206
  423   HG22  ILE  54          HG22      ILE  54  -0.405   3.912   0.164
  424   HG23  ILE  54          HG23      ILE  54  -2.050   4.443   0.461
  425   HD11  ILE  54          HD11      ILE  54   1.670   4.402  -0.505
  426   HD12  ILE  54          HD12      ILE  54   2.674   5.774  -0.992
  427   HD13  ILE  54          HD13      ILE  54   1.885   5.783   0.596
  428    H    LEU  55           H        LEU  55  -2.849   7.715   1.365
  429    HA   LEU  55           HA       LEU  55  -5.207   6.166   1.583
  430    HB2  LEU  55           HB2      LEU  55  -5.019   9.042   2.553
  431    HB3  LEU  55           HB3      LEU  55  -5.997   7.732   3.165
  432    HG   LEU  55           HG       LEU  55  -3.062   8.242   3.590
  433   HD11  LEU  55          HD11      LEU  55  -3.726   8.200   5.948
  434   HD12  LEU  55          HD12      LEU  55  -5.388   7.778   5.494
  435   HD13  LEU  55          HD13      LEU  55  -4.708   9.359   5.043
  436   HD21  LEU  55          HD21      LEU  55  -3.135   5.854   3.140
  437   HD22  LEU  55          HD22      LEU  55  -4.507   5.647   4.274
  438   HD23  LEU  55          HD23      LEU  55  -2.901   6.149   4.863
  439    H    LYS  56           H        LYS  56  -4.833   9.436   0.050
  440    HA   LYS  56           HA       LYS  56  -7.539   9.827  -0.514
  441    HB2  LYS  56           HB2      LYS  56  -5.600  11.468  -0.483
  442    HB3  LYS  56           HB3      LYS  56  -5.085  10.818  -2.036
  443    HG2  LYS  56           HG2      LYS  56  -6.254  12.884  -2.334
  444    HG3  LYS  56           HG3      LYS  56  -7.185  11.570  -3.071
  445    HD2  LYS  56           HD2      LYS  56  -8.777  11.582  -1.210
  446    HD3  LYS  56           HD3      LYS  56  -7.726  12.646  -0.271
  447    HE2  LYS  56           HE2      LYS  56  -9.548  13.966  -1.118
  448    HE3  LYS  56           HE3      LYS  56  -8.065  14.467  -1.931
  449    HZ1  LYS  56           HZ1      LYS  56 -10.124  12.661  -3.088
  450    HZ2  LYS  56           HZ2      LYS  56  -8.758  13.140  -3.857
  451    HZ3  LYS  56           HZ3      LYS  56  -9.913  14.230  -3.484
  452    H    VAL  57           H        VAL  57  -5.109   8.072  -2.415
  453    HA   VAL  57           HA       VAL  57  -6.931   7.608  -4.666
  454    HB   VAL  57           HB       VAL  57  -4.365   6.139  -3.949
  455   HG11  VAL  57          HG11      VAL  57  -5.675   4.698  -5.400
  456   HG12  VAL  57          HG12      VAL  57  -6.153   6.068  -6.429
  457   HG13  VAL  57          HG13      VAL  57  -4.483   5.493  -6.429
  458   HG21  VAL  57          HG21      VAL  57  -4.039   8.558  -4.459
  459   HG22  VAL  57          HG22      VAL  57  -3.356   7.520  -5.714
  460   HG23  VAL  57          HG23      VAL  57  -4.909   8.345  -5.988
  461    H    LEU  58           H        LEU  58  -5.801   5.542  -1.905
  462    HA   LEU  58           HA       LEU  58  -7.295   3.261  -2.772
  463    HB2  LEU  58           HB2      LEU  58  -6.122   3.970  -0.057
  464    HB3  LEU  58           HB3      LEU  58  -6.730   2.377  -0.504
  465    HG   LEU  58           HG       LEU  58  -4.369   3.783  -1.840
  466   HD11  LEU  58          HD11      LEU  58  -4.429   1.377  -0.000
  467   HD12  LEU  58          HD12      LEU  58  -3.953   3.011   0.499
  468   HD13  LEU  58          HD13      LEU  58  -2.992   2.131  -0.708
  469   HD21  LEU  58          HD21      LEU  58  -5.343   2.399  -3.500
  470   HD22  LEU  58          HD22      LEU  58  -5.603   1.058  -2.349
  471   HD23  LEU  58          HD23      LEU  58  -3.962   1.517  -2.851
  472    H    LYS  59           H        LYS  59  -8.286   5.878  -0.540
  473    HA   LYS  59           HA       LYS  59 -10.740   4.504   0.212
  474    HB2  LYS  59           HB2      LYS  59  -9.965   7.447   0.378
  475    HB3  LYS  59           HB3      LYS  59 -11.423   6.722   1.077
  476    HG2  LYS  59           HG2      LYS  59  -9.873   5.112   2.337
  477    HG3  LYS  59           HG3      LYS  59  -8.537   6.149   1.856
  478    HD2  LYS  59           HD2      LYS  59  -9.867   8.117   2.883
  479    HD3  LYS  59           HD3      LYS  59 -10.932   6.874   3.577
  480    HE2  LYS  59           HE2      LYS  59  -8.743   5.804   4.490
  481    HE3  LYS  59           HE3      LYS  59  -7.955   7.321   4.063
  482    HZ1  LYS  59           HZ1      LYS  59 -10.231   7.030   5.951
  483    HZ2  LYS  59           HZ2      LYS  59  -9.535   8.465   5.547
  484    HZ3  LYS  59           HZ3      LYS  59  -8.679   7.326   6.368
  485    H    LYS  60           H        LYS  60  -9.909   6.434  -2.594
  486    HA   LYS  60           HA       LYS  60 -12.770   6.743  -3.367
  487    HB2  LYS  60           HB2      LYS  60 -10.170   7.795  -4.557
  488    HB3  LYS  60           HB3      LYS  60 -11.758   8.102  -5.239
  489    HG2  LYS  60           HG2      LYS  60 -10.797   8.974  -2.476
  490    HG3  LYS  60           HG3      LYS  60 -10.944   9.996  -3.898
  491    HD2  LYS  60           HD2      LYS  60 -13.235   8.688  -2.369
  492    HD3  LYS  60           HD3      LYS  60 -12.777  10.390  -2.353
  493    HE2  LYS  60           HE2      LYS  60 -13.270  10.549  -4.797
  494    HE3  LYS  60           HE3      LYS  60 -13.784   8.858  -4.796
  495    HZ1  LYS  60           HZ1      LYS  60 -15.538   9.460  -3.218
  496    HZ2  LYS  60           HZ2      LYS  60 -15.674  10.352  -4.579
  497    HZ3  LYS  60           HZ3      LYS  60 -15.064  11.026  -3.224
  498    H    ASP  61           H        ASP  61  -9.813   5.261  -4.785
  499    HA   ASP  61           HA       ASP  61 -11.322   4.265  -7.065
  500    HB2  ASP  61           HB2      ASP  61  -8.951   5.122  -7.106
  501    HB3  ASP  61           HB3      ASP  61  -8.456   3.673  -6.243
  502    H    PHE  62           H        PHE  62  -9.883   2.750  -4.162
  503    HA   PHE  62           HA       PHE  62 -10.929   0.075  -4.931
  504    HB2  PHE  62           HB2      PHE  62  -9.061   1.003  -2.712
  505    HB3  PHE  62           HB3      PHE  62  -9.600  -0.638  -2.934
  506    HD1  PHE  62           HD2      PHE  62  -7.689   2.101  -4.645
  507    HD2  PHE  62           HD1      PHE  62  -8.470  -2.123  -4.349
  508    HE1  PHE  62           HE2      PHE  62  -5.716   1.642  -6.055
  509    HE2  PHE  62           HE1      PHE  62  -6.461  -2.587  -5.727
  510    HZ   PHE  62           HZ       PHE  62  -5.080  -0.717  -6.587
  511    H    ALA  63           H        ALA  63 -11.937   2.749  -3.120
  512    HA   ALA  63           HA       ALA  63 -13.559   3.187  -1.608
  513    HB1  ALA  63           HB1      ALA  63 -14.933   1.895  -3.234
  514    HB2  ALA  63           HB2      ALA  63 -14.681   0.434  -2.249
  515    HB3  ALA  63           HB3      ALA  63 -15.546   1.822  -1.574
  516    H    CYS  64           H        CYS  64 -11.045   1.986  -0.664
  517    HA   CYS  64           HA       CYS  64 -11.707   0.317   1.664
  518    HB2  CYS  64           HB2      CYS  64  -9.125   1.573   0.604
  519    HB3  CYS  64           HB3      CYS  64  -9.203   0.527   2.027
  520    HG   CYS  64           HG       CYS  64 -10.342  -1.531   0.811
  521    H    ASN  65           H        ASN  65 -10.270   1.108   3.707
  522    HA   ASN  65           HA       ASN  65 -10.470   3.984   4.194
  523    HB2  ASN  65           HB2      ASN  65 -12.664   2.981   5.009
  524    HB3  ASN  65           HB3      ASN  65 -11.729   2.072   6.197
  525   HD21  ASN  65          HD21      ASN  65 -13.259   3.378   7.659
  526   HD22  ASN  65          HD22      ASN  65 -12.707   4.972   8.143
  527    H    GLY  66           H        GLY  66  -9.062   4.642   5.998
  528    HA2  GLY  66           HA2      GLY  66  -7.106   2.862   7.126
  529    HA3  GLY  66           HA3      GLY  66  -6.517   3.483   5.612
  530    H    ASN  67           H        ASN  67  -5.003   3.951   7.574
  531    HA   ASN  67           HA       ASN  67  -4.930   6.826   7.899
  532    HB2  ASN  67           HB2      ASN  67  -5.148   7.075  10.209
  533    HB3  ASN  67           HB3      ASN  67  -6.503   6.051   9.768
  534   HD21  ASN  67          HD21      ASN  67  -5.941   3.526   9.988
  535   HD22  ASN  67          HD22      ASN  67  -4.972   3.109  11.396
  536    H    ILE  68           H        ILE  68  -2.934   7.528   9.179
  537    HA   ILE  68           HA       ILE  68  -0.625   5.713   8.556
  538    HB   ILE  68           HB       ILE  68  -0.758   8.728   8.928
  539   HG12  ILE  68          HG12      ILE  68   0.022   7.273   6.378
  540   HG13  ILE  68          HG13      ILE  68  -1.665   7.601   6.713
  541   HG21  ILE  68          HG21      ILE  68   1.635   8.695   8.161
  542   HG22  ILE  68          HG22      ILE  68   1.420   7.895   9.711
  543   HG23  ILE  68          HG23      ILE  68   1.613   6.923   8.235
  544   HD11  ILE  68          HD11      ILE  68  -0.799   9.360   5.318
  545   HD12  ILE  68          HD12      ILE  68  -1.211  10.023   6.907
  546   HD13  ILE  68          HD13      ILE  68   0.490   9.730   6.481
  547    H    VAL  69           H        VAL  69   0.675   4.999  10.167
  548    HA   VAL  69           HA       VAL  69   0.467   6.191  12.916
  549    HB   VAL  69           HB       VAL  69   0.479   3.208  12.270
  550   HG11  VAL  69          HG11      VAL  69   1.766   3.581  14.308
  551   HG12  VAL  69          HG12      VAL  69   0.492   4.638  14.963
  552   HG13  VAL  69          HG13      VAL  69   0.203   2.899  14.737
  553   HG21  VAL  69          HG21      VAL  69  -1.759   4.088  11.927
  554   HG22  VAL  69          HG22      VAL  69  -1.737   3.205  13.455
  555   HG23  VAL  69          HG23      VAL  69  -1.695   4.977  13.469
  556    H    LYS  70           H        LYS  70   2.413   6.358  13.969
  557    HA   LYS  70           HA       LYS  70   4.854   5.282  12.610
  558    HB2  LYS  70           HB2      LYS  70   4.721   7.744  12.997
  559    HB3  LYS  70           HB3      LYS  70   4.685   7.439  14.743
  560    HG2  LYS  70           HG2      LYS  70   6.897   6.307  14.584
  561    HG3  LYS  70           HG3      LYS  70   6.898   6.546  12.824
  562    HD2  LYS  70           HD2      LYS  70   6.847   9.011  13.165
  563    HD3  LYS  70           HD3      LYS  70   6.875   8.761  14.926
  564    HE2  LYS  70           HE2      LYS  70   9.051   7.567  14.712
  565    HE3  LYS  70           HE3      LYS  70   9.018   7.816  12.961
  566    HZ1  LYS  70           HZ1      LYS  70   9.118   9.985  14.988
  567    HZ2  LYS  70           HZ2      LYS  70   9.088  10.216  13.369
  568    HZ3  LYS  70           HZ3      LYS  70  10.374   9.492  14.069
  569    H    ASP  71           H        ASP  71   5.158   3.257  13.277
  570    HA   ASP  71           HA       ASP  71   4.364   2.346  15.934
  571    HB2  ASP  71           HB2      ASP  71   3.973   1.110  13.749
  572    HB3  ASP  71           HB3      ASP  71   5.705   0.865  13.662
  573    HA   PRO  72           HA       PRO  72   8.461   2.654  17.797
  574    HB2  PRO  72           HB2      PRO  72   7.703   0.070  19.166
  575    HB3  PRO  72           HB3      PRO  72   8.402   1.558  19.874
  576    HG2  PRO  72           HG2      PRO  72   5.763   1.017  20.133
  577    HG3  PRO  72           HG3      PRO  72   6.305   2.687  19.749
  578    HD2  PRO  72           HD2      PRO  72   5.210   0.579  17.883
  579    HD3  PRO  72           HD3      PRO  72   4.839   2.329  17.972
  580    H    GLU  73           H        GLU  73   7.433  -0.445  16.342
  581    HA   GLU  73           HA       GLU  73  10.291  -1.279  15.968
  582    HB2  GLU  73           HB2      GLU  73   7.726  -2.933  15.896
  583    HB3  GLU  73           HB3      GLU  73   9.376  -3.527  15.658
  584    HG2  GLU  73           HG2      GLU  73   9.929  -2.615  17.959
  585    HG3  GLU  73           HG3      GLU  73   8.205  -2.333  18.204
  586    H    MET  74           H        MET  74   7.131  -1.168  14.280
  587    HA   MET  74           HA       MET  74   8.324  -1.847  11.697
  588    HB2  MET  74           HB2      MET  74   5.511  -1.010  12.504
  589    HB3  MET  74           HB3      MET  74   5.977  -1.332  10.844
  590    HG2  MET  74           HG2      MET  74   6.753  -3.619  11.558
  591    HG3  MET  74           HG3      MET  74   6.092  -3.286  13.164
  592    HE1  MET  74           HE1      MET  74   4.675  -5.501  13.012
  593    HE2  MET  74           HE2      MET  74   3.597  -5.905  11.661
  594    HE3  MET  74           HE3      MET  74   5.353  -5.820  11.399
  595    H    GLY  75           H        GLY  75   7.883   1.198  13.306
  596    HA2  GLY  75           HA2      GLY  75   8.595   3.319  12.625
  597    HA3  GLY  75           HA3      GLY  75   8.985   2.672  11.019
  598    H    GLU  76           H        GLU  76   8.006   4.645  10.159
  599    HA   GLU  76           HA       GLU  76   5.232   5.191  10.565
  600    HB2  GLU  76           HB2      GLU  76   7.169   6.773   9.925
  601    HB3  GLU  76           HB3      GLU  76   6.910   6.212   8.262
  602    HG2  GLU  76           HG2      GLU  76   4.541   6.897   8.439
  603    HG3  GLU  76           HG3      GLU  76   4.795   7.355  10.128
  604    H    ILE  77           H        ILE  77   3.579   4.149   9.779
  605    HA   ILE  77           HA       ILE  77   3.683   2.640   7.212
  606    HB   ILE  77           HB       ILE  77   2.472   0.785   8.360
  607   HG12  ILE  77          HG12      ILE  77   3.329   2.124  10.962
  608   HG13  ILE  77          HG13      ILE  77   1.673   1.974  10.369
  609   HG21  ILE  77          HG21      ILE  77   4.934   0.774   7.827
  610   HG22  ILE  77          HG22      ILE  77   5.243   1.169   9.529
  611   HG23  ILE  77          HG23      ILE  77   4.416  -0.345   9.087
  612   HD11  ILE  77          HD11      ILE  77   3.511  -0.262  11.282
  613   HD12  ILE  77          HD12      ILE  77   2.001   0.292  12.025
  614   HD13  ILE  77          HD13      ILE  77   1.962  -0.538  10.456
  615    H    ILE  78           H        ILE  78   1.763   2.280   6.175
  616    HA   ILE  78           HA       ILE  78  -0.637   3.820   7.100
  617    HB   ILE  78           HB       ILE  78   0.021   2.486   4.453
  618   HG12  ILE  78          HG12      ILE  78  -0.566   5.426   4.956
  619   HG13  ILE  78          HG13      ILE  78   1.073   4.778   5.060
  620   HG21  ILE  78          HG21      ILE  78  -2.181   3.453   3.660
  621   HG22  ILE  78          HG22      ILE  78  -2.350   2.150   4.814
  622   HG23  ILE  78          HG23      ILE  78  -2.560   3.828   5.352
  623   HD11  ILE  78          HD11      ILE  78  -0.694   4.645   2.592
  624   HD12  ILE  78          HD12      ILE  78   0.695   5.697   2.844
  625   HD13  ILE  78          HD13      ILE  78   0.937   3.942   2.751
  626    H    GLN  79           H        GLN  79  -2.367   2.796   7.856
  627    HA   GLN  79           HA       GLN  79  -2.544  -0.195   7.819
  628    HB2  GLN  79           HB2      GLN  79  -3.869   1.922   9.560
  629    HB3  GLN  79           HB3      GLN  79  -4.266   0.201   9.605
  630    HG2  GLN  79           HG2      GLN  79  -2.013  -0.341  10.381
  631    HG3  GLN  79           HG3      GLN  79  -1.513   1.350  10.269
  632   HE21  GLN  79          HE21      GLN  79  -1.308  -0.152  12.697
  633   HE22  GLN  79          HE22      GLN  79  -2.437   0.567  13.830
  634    H    LEU  80           H        LEU  80  -4.074  -0.969   6.414
  635    HA   LEU  80           HA       LEU  80  -6.362   0.776   5.604
  636    HB2  LEU  80           HB2      LEU  80  -4.418  -0.068   3.892
  637    HB3  LEU  80           HB3      LEU  80  -5.397  -1.530   3.921
  638    HG   LEU  80           HG       LEU  80  -7.378  -0.156   3.196
  639   HD11  LEU  80          HD11      LEU  80  -6.554   2.103   3.909
  640   HD12  LEU  80          HD12      LEU  80  -6.916   2.075   2.181
  641   HD13  LEU  80          HD13      LEU  80  -5.233   1.985   2.742
  642   HD21  LEU  80          HD21      LEU  80  -6.100  -1.468   1.568
  643   HD22  LEU  80          HD22      LEU  80  -4.890  -0.199   1.434
  644   HD23  LEU  80          HD23      LEU  80  -6.539   0.071   0.819
  645    H    GLN  81           H        GLN  81  -8.438  -0.193   5.786
  646    HA   GLN  81           HA       GLN  81  -8.603  -2.414   7.640
  647    HB2  GLN  81           HB2      GLN  81 -10.740  -0.920   6.070
  648    HB3  GLN  81           HB3      GLN  81 -11.078  -2.214   7.222
  649    HG2  GLN  81           HG2      GLN  81  -9.851  -0.903   8.999
  650    HG3  GLN  81           HG3      GLN  81  -9.685   0.423   7.851
  651   HE21  GLN  81          HE21      GLN  81 -10.843   1.663   9.599
  652   HE22  GLN  81          HE22      GLN  81 -12.592   1.547   9.653
  653    H    GLY  82           H        GLY  82  -8.857  -4.514   7.384
  654    HA2  GLY  82           HA2      GLY  82  -9.586  -6.514   6.364
  655    HA3  GLY  82           HA3      GLY  82  -9.643  -5.725   4.784
  656    H    ASP  83           H        ASP  83  -8.525  -7.492   3.945
  657    HA   ASP  83           HA       ASP  83  -5.654  -7.872   4.641
  658    HB2  ASP  83           HB2      ASP  83  -5.943 -10.153   4.042
  659    HB3  ASP  83           HB3      ASP  83  -7.209  -9.730   5.174
  660    H    GLN  84           H        GLN  84  -5.904  -5.809   3.092
  661    HA   GLN  84           HA       GLN  84  -6.397  -6.268   0.277
  662    HB2  GLN  84           HB2      GLN  84  -5.374  -3.722   1.558
  663    HB3  GLN  84           HB3      GLN  84  -6.331  -3.884   0.089
  664    HG2  GLN  84           HG2      GLN  84  -7.249  -4.219   2.964
  665    HG3  GLN  84           HG3      GLN  84  -7.727  -2.979   1.827
  666   HE21  GLN  84          HE21      GLN  84  -9.674  -4.195   3.134
  667   HE22  GLN  84          HE22      GLN  84 -10.573  -5.284   2.057
  668    H    ARG  85           H        ARG  85  -4.013  -7.636   1.278
  669    HA   ARG  85           HA       ARG  85  -1.682  -6.288   0.619
  670    HB2  ARG  85           HB2      ARG  85  -0.592  -8.471   0.727
  671    HB3  ARG  85           HB3      ARG  85  -1.735  -8.208   2.040
  672    HG2  ARG  85           HG2      ARG  85  -3.444  -9.539   0.588
  673    HG3  ARG  85           HG3      ARG  85  -2.053 -10.031  -0.371
  674    HD2  ARG  85           HD2      ARG  85  -0.999 -10.981   1.675
  675    HD3  ARG  85           HD3      ARG  85  -2.373 -10.454   2.635
  676    HE   ARG  85           HE       ARG  85  -2.181 -12.827   1.025
  677   HH11  ARG  85          HH11      ARG  85  -4.667 -10.446   1.917
  678   HH12  ARG  85          HH12      ARG  85  -5.921 -11.633   1.969
  679   HH21  ARG  85          HH21      ARG  85  -3.882 -14.292   1.011
  680   HH22  ARG  85          HH22      ARG  85  -5.491 -13.754   1.392
  681    H    ALA  86           H        ALA  86  -3.516  -8.467  -1.538
  682    HA   ALA  86           HA       ALA  86  -1.775  -8.085  -3.825
  683    HB1  ALA  86           HB1      ALA  86  -4.673  -9.041  -3.616
  684    HB2  ALA  86           HB2      ALA  86  -3.611  -9.221  -5.028
  685    HB3  ALA  86           HB3      ALA  86  -3.222 -10.067  -3.520
  686    H    LYS  87           H        LYS  87  -4.759  -6.473  -2.694
  687    HA   LYS  87           HA       LYS  87  -5.181  -4.853  -5.024
  688    HB2  LYS  87           HB2      LYS  87  -6.000  -4.382  -2.122
  689    HB3  LYS  87           HB3      LYS  87  -6.610  -3.503  -3.512
  690    HG2  LYS  87           HG2      LYS  87  -7.409  -5.767  -4.442
  691    HG3  LYS  87           HG3      LYS  87  -7.028  -6.435  -2.842
  692    HD2  LYS  87           HD2      LYS  87  -8.543  -4.583  -1.871
  693    HD3  LYS  87           HD3      LYS  87  -9.005  -4.220  -3.529
  694    HE2  LYS  87           HE2      LYS  87 -10.716  -5.603  -2.652
  695    HE3  LYS  87           HE3      LYS  87  -9.809  -6.594  -3.798
  696    HZ1  LYS  87           HZ1      LYS  87 -10.315  -7.715  -1.652
  697    HZ2  LYS  87           HZ2      LYS  87  -9.384  -6.621  -0.855
  698    HZ3  LYS  87           HZ3      LYS  87  -8.707  -7.654  -1.932
  699    H    VAL  88           H        VAL  88  -3.473  -4.099  -1.951
  700    HA   VAL  88           HA       VAL  88  -2.643  -1.484  -2.864
  701    HB   VAL  88           HB       VAL  88  -1.565  -3.217  -0.618
  702   HG11  VAL  88          HG11      VAL  88   0.228  -1.641  -1.269
  703   HG12  VAL  88          HG12      VAL  88  -0.934  -0.294  -1.267
  704   HG13  VAL  88          HG13      VAL  88  -0.510  -1.130   0.240
  705   HG21  VAL  88          HG21      VAL  88  -3.386  -0.762  -0.680
  706   HG22  VAL  88          HG22      VAL  88  -3.914  -2.418  -0.351
  707   HG23  VAL  88          HG23      VAL  88  -2.834  -1.602   0.790
  708    H    CYS  89           H        CYS  89  -1.020  -4.707  -3.058
  709    HA   CYS  89           HA       CYS  89   1.412  -3.850  -4.253
  710    HB2  CYS  89           HB2      CYS  89   0.861  -6.143  -3.449
  711    HB3  CYS  89           HB3      CYS  89  -0.257  -6.353  -4.805
  712    HG   CYS  89           HG       CYS  89   1.953  -7.692  -5.284
  713    H    GLU  90           H        GLU  90  -1.696  -4.683  -5.873
  714    HA   GLU  90           HA       GLU  90  -0.920  -3.948  -8.477
  715    HB2  GLU  90           HB2      GLU  90  -2.914  -5.296  -7.798
  716    HB3  GLU  90           HB3      GLU  90  -3.718  -3.804  -7.282
  717    HG2  GLU  90           HG2      GLU  90  -3.602  -2.922  -9.569
  718    HG3  GLU  90           HG3      GLU  90  -2.644  -4.318 -10.084
  719    H    PHE  91           H        PHE  91  -2.266  -1.813  -5.862
  720    HA   PHE  91           HA       PHE  91  -2.594   0.525  -7.477
  721    HB2  PHE  91           HB2      PHE  91  -3.590   0.604  -5.344
  722    HB3  PHE  91           HB3      PHE  91  -2.178  -0.027  -4.537
  723    HD1  PHE  91           HD1      PHE  91  -3.275   3.004  -6.490
  724    HD2  PHE  91           HD2      PHE  91  -0.718   1.395  -3.424
  725    HE1  PHE  91           HE1      PHE  91  -2.365   5.280  -6.035
  726    HE2  PHE  91           HE2      PHE  91   0.157   3.668  -2.955
  727    HZ   PHE  91           HZ       PHE  91  -0.704   5.623  -4.250
  728    H    MET  92           H        MET  92   0.205  -0.602  -5.559
  729    HA   MET  92           HA       MET  92   1.962   1.581  -6.082
  730    HB2  MET  92           HB2      MET  92   2.510  -1.351  -5.520
  731    HB3  MET  92           HB3      MET  92   3.740  -0.098  -5.429
  732    HG2  MET  92           HG2      MET  92   1.199   0.054  -3.781
  733    HG3  MET  92           HG3      MET  92   2.557  -0.926  -3.260
  734    HE1  MET  92           HE1      MET  92   2.211   2.237  -0.920
  735    HE2  MET  92           HE2      MET  92   0.870   1.675  -1.937
  736    HE3  MET  92           HE3      MET  92   1.893   0.495  -1.094
  737    H    ILE  93           H        ILE  93   1.538  -1.524  -7.823
  738    HA   ILE  93           HA       ILE  93   3.522  -0.939  -9.855
  739    HB   ILE  93           HB       ILE  93   1.229  -2.938  -9.808
  740   HG12  ILE  93          HG12      ILE  93   4.197  -3.486  -9.326
  741   HG13  ILE  93          HG13      ILE  93   3.100  -3.112  -8.011
  742   HG21  ILE  93          HG21      ILE  93   3.683  -2.840 -11.630
  743   HG22  ILE  93          HG22      ILE  93   2.498  -4.153 -11.579
  744   HG23  ILE  93          HG23      ILE  93   2.000  -2.564 -12.139
  745   HD11  ILE  93          HD11      ILE  93   2.878  -5.511  -9.856
  746   HD12  ILE  93          HD12      ILE  93   3.286  -5.484  -8.135
  747   HD13  ILE  93          HD13      ILE  93   1.651  -5.045  -8.654
  748    H    SER  94           H        SER  94  -0.047  -0.604  -9.854
  749    HA   SER  94           HA       SER  94  -0.146   0.201 -12.633
  750    HB2  SER  94           HB2      SER  94  -1.973  -1.005 -11.512
  751    HB3  SER  94           HB3      SER  94  -2.189   0.339 -10.382
  752    HG   SER  94           HG       SER  94  -2.796   0.239 -13.154
  753    H    GLN  95           H        GLN  95  -0.555   2.087  -9.574
  754    HA   GLN  95           HA       GLN  95  -1.048   4.530 -11.198
  755    HB2  GLN  95           HB2      GLN  95  -1.377   3.992  -8.222
  756    HB3  GLN  95           HB3      GLN  95  -1.875   5.452  -9.069
  757    HG2  GLN  95           HG2      GLN  95  -3.028   2.657  -9.506
  758    HG3  GLN  95           HG3      GLN  95  -3.795   3.981  -8.647
  759   HE21  GLN  95          HE21      GLN  95  -3.410   2.528 -11.804
  760   HE22  GLN  95          HE22      GLN  95  -4.193   3.835 -12.673
  761    H    LEU  96           H        LEU  96   1.306   3.349  -8.751
  762    HA   LEU  96           HA       LEU  96   2.784   5.921  -8.935
  763    HB2  LEU  96           HB2      LEU  96   3.581   3.421  -7.415
  764    HB3  LEU  96           HB3      LEU  96   4.222   5.032  -7.239
  765    HG   LEU  96           HG       LEU  96   1.415   4.145  -6.444
  766   HD11  LEU  96          HD11      LEU  96   2.201   4.614  -4.163
  767   HD12  LEU  96          HD12      LEU  96   3.801   5.067  -4.787
  768   HD13  LEU  96          HD13      LEU  96   3.217   3.402  -4.953
  769   HD21  LEU  96          HD21      LEU  96   1.252   6.459  -7.219
  770   HD22  LEU  96          HD22      LEU  96   2.700   6.912  -6.294
  771   HD23  LEU  96          HD23      LEU  96   1.208   6.447  -5.453
  772    H    GLY  97           H        GLY  97   2.709   2.944 -10.607
  773    HA2  GLY  97           HA2      GLY  97   3.897   2.288 -12.482
  774    HA3  GLY  97           HA3      GLY  97   4.934   3.727 -12.318
  775    H    LEU  98           H        LEU  98   4.676   1.640  -9.525
  776    HA   LEU  98           HA       LEU  98   7.528   1.231  -9.544
  777    HB2  LEU  98           HB2      LEU  98   5.297   0.273  -7.728
  778    HB3  LEU  98           HB3      LEU  98   6.975  -0.135  -7.435
  779    HG   LEU  98           HG       LEU  98   6.161   2.782  -7.773
  780   HD11  LEU  98          HD11      LEU  98   6.073   1.130  -5.230
  781   HD12  LEU  98          HD12      LEU  98   4.715   1.932  -6.025
  782   HD13  LEU  98          HD13      LEU  98   5.996   2.908  -5.292
  783   HD21  LEU  98          HD21      LEU  98   8.183   3.146  -6.392
  784   HD22  LEU  98          HD22      LEU  98   8.585   2.234  -7.847
  785   HD23  LEU  98          HD23      LEU  98   8.447   1.396  -6.286
  786    H    GLN  99           H        GLN  99   8.661  -0.805  -9.449
  787    HA   GLN  99           HA       GLN  99   7.659  -2.756 -11.419
  788    HB2  GLN  99           HB2      GLN  99  10.250  -2.646  -9.813
  789    HB3  GLN  99           HB3      GLN  99   9.849  -3.859 -11.038
  790    HG2  GLN  99           HG2      GLN  99   9.712  -2.111 -12.776
  791    HG3  GLN  99           HG3      GLN  99  10.117  -0.874 -11.581
  792   HE21  GLN  99          HE21      GLN  99  12.349  -0.627 -10.952
  793   HE22  GLN  99          HE22      GLN  99  13.614  -1.598 -11.685
  794    H    LYS 100           H        LYS 100   6.874  -4.790 -10.991
  795    HA   LYS 100           HA       LYS 100   5.692  -5.448  -8.533
  796    HB2  LYS 100           HB2      LYS 100   5.127  -6.336 -10.744
  797    HB3  LYS 100           HB3      LYS 100   6.580  -7.356 -10.718
  798    HG2  LYS 100           HG2      LYS 100   5.768  -8.629  -8.846
  799    HG3  LYS 100           HG3      LYS 100   4.584  -7.401  -8.420
  800    HD2  LYS 100           HD2      LYS 100   3.371  -9.152  -9.338
  801    HD3  LYS 100           HD3      LYS 100   3.331  -7.857 -10.515
  802    HE2  LYS 100           HE2      LYS 100   3.640  -9.857 -11.770
  803    HE3  LYS 100           HE3      LYS 100   5.180  -8.995 -11.807
  804    HZ1  LYS 100           HZ1      LYS 100   5.982 -10.517 -10.071
  805    HZ2  LYS 100           HZ2      LYS 100   5.465 -11.368 -11.365
  806    HZ3  LYS 100           HZ3      LYS 100   4.538 -11.288 -10.025
  807    H    LYS 101           H        LYS 101   8.911  -6.363  -9.719
  808    HA   LYS 101           HA       LYS 101   9.689  -8.213  -7.725
  809    HB2  LYS 101           HB2      LYS 101  11.879  -7.966  -8.603
  810    HB3  LYS 101           HB3      LYS 101  10.741  -7.822  -9.940
  811    HG2  LYS 101           HG2      LYS 101  10.960  -5.241  -9.593
  812    HG3  LYS 101           HG3      LYS 101  12.314  -5.626  -8.532
  813    HD2  LYS 101           HD2      LYS 101  13.168  -5.057 -10.679
  814    HD3  LYS 101           HD3      LYS 101  13.442  -6.793 -10.415
  815    HE2  LYS 101           HE2      LYS 101  11.717  -7.415 -11.944
  816    HE3  LYS 101           HE3      LYS 101  10.982  -5.804 -11.906
  817    HZ1  LYS 101           HZ1      LYS 101  12.257  -6.215 -13.949
  818    HZ2  LYS 101           HZ2      LYS 101  13.643  -6.343 -13.087
  819    HZ3  LYS 101           HZ3      LYS 101  12.809  -4.921 -13.119
  820    H    ASN 102           H        ASN 102   9.431  -4.738  -7.393
  821    HA   ASN 102           HA       ASN 102  11.203  -4.575  -5.058
  822    HB2  ASN 102           HB2      ASN 102   9.313  -2.569  -6.364
  823    HB3  ASN 102           HB3      ASN 102  10.273  -2.240  -4.936
  824   HD21  ASN 102          HD21      ASN 102  11.549  -0.606  -5.814
  825   HD22  ASN 102          HD22      ASN 102  12.725  -0.926  -7.076
  826    H    ILE 103           H        ILE 103   8.062  -5.860  -5.382
  827    HA   ILE 103           HA       ILE 103   7.230  -4.854  -2.677
  828    HB   ILE 103           HB       ILE 103   5.447  -5.966  -4.863
  829   HG12  ILE 103          HG12      ILE 103   6.029  -3.063  -4.087
  830   HG13  ILE 103          HG13      ILE 103   6.477  -3.839  -5.608
  831   HG21  ILE 103          HG21      ILE 103   4.854  -4.496  -2.239
  832   HG22  ILE 103          HG22      ILE 103   3.642  -5.045  -3.413
  833   HG23  ILE 103          HG23      ILE 103   4.588  -6.228  -2.535
  834   HD11  ILE 103          HD11      ILE 103   4.055  -4.211  -6.096
  835   HD12  ILE 103          HD12      ILE 103   3.676  -3.190  -4.684
  836   HD13  ILE 103          HD13      ILE 103   4.581  -2.516  -6.053
  837    H    LYS 104           H        LYS 104   7.180  -6.132  -1.068
  838    HA   LYS 104           HA       LYS 104   7.162  -9.110  -1.358
  839    HB2  LYS 104           HB2      LYS 104   8.049  -7.252   0.895
  840    HB3  LYS 104           HB3      LYS 104   7.982  -9.006   1.023
  841    HG2  LYS 104           HG2      LYS 104   9.781  -7.489  -0.911
  842    HG3  LYS 104           HG3      LYS 104  10.253  -8.117   0.669
  843    HD2  LYS 104           HD2      LYS 104   9.563 -10.437  -0.129
  844    HD3  LYS 104           HD3      LYS 104   9.394  -9.740  -1.759
  845    HE2  LYS 104           HE2      LYS 104  11.758  -8.963  -1.642
  846    HE3  LYS 104           HE3      LYS 104  11.914  -9.672  -0.031
  847    HZ1  LYS 104           HZ1      LYS 104  11.501 -11.856  -1.026
  848    HZ2  LYS 104           HZ2      LYS 104  12.790 -11.150  -1.740
  849    HZ3  LYS 104           HZ3      LYS 104  11.355 -11.199  -2.519
  850    H    ILE 105           H        ILE 105   5.231 -10.021  -0.983
  851    HA   ILE 105           HA       ILE 105   3.261  -8.734   0.890
  852    HB   ILE 105           HB       ILE 105   2.926 -10.891  -1.231
  853   HG12  ILE 105          HG12      ILE 105   1.617  -8.150  -0.842
  854   HG13  ILE 105          HG13      ILE 105   2.922  -8.497  -1.976
  855   HG21  ILE 105          HG21      ILE 105   1.653 -11.635   0.700
  856   HG22  ILE 105          HG22      ILE 105   1.016 -10.005   0.972
  857   HG23  ILE 105          HG23      ILE 105   0.516 -10.963  -0.446
  858   HD11  ILE 105          HD11      ILE 105   0.893  -8.468  -3.227
  859   HD12  ILE 105          HD12      ILE 105   1.411 -10.159  -3.131
  860   HD13  ILE 105          HD13      ILE 105   0.077  -9.562  -2.111
  861    H    HIS 106           H        HIS 106   3.302  -9.387   2.891
  862    HA   HIS 106           HA       HIS 106   4.621 -11.980   3.615
  863    HB2  HIS 106           HB2      HIS 106   4.001  -9.483   5.226
  864    HB3  HIS 106           HB3      HIS 106   4.824 -10.916   5.838
  865    HD2  HIS 106           HD2      HIS 106   5.437  -7.769   3.778
  866    HE1  HIS 106           HE1      HIS 106   9.170  -9.806   3.970
  867    HE2  HIS 106           HE2      HIS 106   8.032  -7.630   3.323
  868    H    GLY 107           H        GLY 107   1.584 -10.168   4.034
  869    HA2  GLY 107           HA2      GLY 107  -0.510 -10.806   4.857
  870    HA3  GLY 107           HA3      GLY 107   0.013 -12.494   4.724
  871    H    PHE 108           H        PHE 108  -0.588 -13.319   6.624
  872    HA   PHE 108           HA       PHE 108   1.034 -12.946   8.914
  873    HB2  PHE 108           HB2      PHE 108  -0.444 -12.258  10.571
  874    HB3  PHE 108           HB3      PHE 108  -0.475 -11.041   9.333
  875    HD1  PHE 108           HD2      PHE 108  -2.647 -12.967   7.640
  876    HD2  PHE 108           HD1      PHE 108  -2.369 -11.160  11.545
  877    HE1  PHE 108           HE2      PHE 108  -5.105 -12.913   7.790
  878    HE2  PHE 108           HE1      PHE 108  -4.846 -11.097  11.683
  879    HZ   PHE 108           HZ       PHE 108  -6.220 -11.981   9.808
  Start of MODEL   12
    1    H1   MET   1           H        MET   1  26.236  -8.845  -8.003
    2    H2   MET   1           H2       MET   1  26.311  -7.706  -6.834
    3    H3   MET   1           H3       MET   1  25.780  -7.304  -8.311
    4    HA   MET   1           HA       MET   1  23.775  -8.618  -8.081
    5    HB2  MET   1           HB2      MET   1  24.964  -9.450  -5.403
    6    HB3  MET   1           HB3      MET   1  23.304  -9.751  -5.911
    7    HG2  MET   1           HG2      MET   1  24.457 -11.743  -6.327
    8    HG3  MET   1           HG3      MET   1  24.158 -11.020  -7.898
    9    HE1  MET   1           HE1      MET   1  26.065 -13.473  -7.392
   10    HE2  MET   1           HE2      MET   1  25.794 -12.738  -8.989
   11    HE3  MET   1           HE3      MET   1  27.448 -13.048  -8.421
   12    H    SER   2           H        SER   2  21.809  -7.935  -6.961
   13    HA   SER   2           HA       SER   2  21.912  -5.197  -5.924
   14    HB2  SER   2           HB2      SER   2  19.419  -5.519  -5.830
   15    HB3  SER   2           HB3      SER   2  20.147  -5.729  -7.430
   16    HG   SER   2           HG       SER   2  18.616  -7.393  -6.933
   17    H    ILE   3           H        ILE   3  20.749  -4.592  -3.916
   18    HA   ILE   3           HA       ILE   3  21.462  -6.407  -1.657
   19    HB   ILE   3           HB       ILE   3  20.634  -3.481  -1.637
   20   HG12  ILE   3          HG12      ILE   3  22.776  -3.608  -2.749
   21   HG13  ILE   3          HG13      ILE   3  22.979  -2.946  -1.141
   22   HG21  ILE   3          HG21      ILE   3  21.697  -5.295   0.570
   23   HG22  ILE   3          HG22      ILE   3  21.553  -3.528   0.695
   24   HG23  ILE   3          HG23      ILE   3  20.107  -4.513   0.483
   25   HD11  ILE   3          HD11      ILE   3  23.672  -5.797  -1.986
   26   HD12  ILE   3          HD12      ILE   3  24.803  -4.472  -1.681
   27   HD13  ILE   3          HD13      ILE   3  23.860  -5.141  -0.340
   28    H    GLU   4           H        GLU   4  19.954  -7.561  -0.660
   29    HA   GLU   4           HA       GLU   4  17.091  -7.170  -1.256
   30    HB2  GLU   4           HB2      GLU   4  16.760  -9.332  -0.261
   31    HB3  GLU   4           HB3      GLU   4  18.047  -9.405  -1.461
   32    HG2  GLU   4           HG2      GLU   4  19.744  -9.340   0.384
   33    HG3  GLU   4           HG3      GLU   4  18.434  -9.316   1.567
   34    H    ASN   5           H        ASN   5  15.480  -7.335   0.503
   35    HA   ASN   5           HA       ASN   5  16.307  -6.583   3.214
   36    HB2  ASN   5           HB2      ASN   5  16.216  -4.403   2.037
   37    HB3  ASN   5           HB3      ASN   5  14.565  -4.752   1.510
   38   HD21  ASN   5          HD22      ASN   5  16.550  -4.415   4.533
   39   HD22  ASN   5          HD21      ASN   5  15.192  -3.818   5.484
   40    H    LEU   6           H        LEU   6  14.860  -7.145   4.762
   41    HA   LEU   6           HA       LEU   6  12.318  -8.511   3.959
   42    HB2  LEU   6           HB2      LEU   6  14.204  -9.928   4.785
   43    HB3  LEU   6           HB3      LEU   6  14.223  -9.011   6.290
   44    HG   LEU   6           HG       LEU   6  11.972  -9.858   6.861
   45   HD11  LEU   6          HD11      LEU   6  12.180 -11.438   4.252
   46   HD12  LEU   6          HD12      LEU   6  10.987 -10.174   4.623
   47   HD13  LEU   6          HD13      LEU   6  10.958 -11.696   5.515
   48   HD21  LEU   6          HD21      LEU   6  13.979 -11.099   7.564
   49   HD22  LEU   6          HD22      LEU   6  13.925 -12.056   6.066
   50   HD23  LEU   6          HD23      LEU   6  12.618 -12.193   7.263
   51    H    LYS   7           H        LYS   7  13.582  -5.889   5.826
   52    HA   LYS   7           HA       LYS   7  10.961  -5.142   6.879
   53    HB2  LYS   7           HB2      LYS   7  11.704  -6.763   8.570
   54    HB3  LYS   7           HB3      LYS   7  13.265  -5.951   8.701
   55    HG2  LYS   7           HG2      LYS   7  12.137  -3.935   9.641
   56    HG3  LYS   7           HG3      LYS   7  10.570  -4.765   9.518
   57    HD2  LYS   7           HD2      LYS   7  11.358  -6.502  11.079
   58    HD3  LYS   7           HD3      LYS   7  12.974  -5.774  11.110
   59    HE2  LYS   7           HE2      LYS   7  11.999  -3.686  12.088
   60    HE3  LYS   7           HE3      LYS   7  10.409  -4.455  12.119
   61    HZ1  LYS   7           HZ1      LYS   7  11.322  -6.131  13.629
   62    HZ2  LYS   7           HZ2      LYS   7  11.560  -4.653  14.279
   63    HZ3  LYS   7           HZ3      LYS   7  12.802  -5.439  13.577
   64    H    SER   8           H        SER   8  10.785  -2.980   7.190
   65    HA   SER   8           HA       SER   8  13.273  -1.307   7.292
   66    HB2  SER   8           HB2      SER   8  12.161  -1.174   5.039
   67    HB3  SER   8           HB3      SER   8  10.733  -0.493   5.850
   68    HG   SER   8           HG       SER   8  12.255   1.126   5.059
   69    H    PHE   9           H        PHE   9  13.080   0.614   8.555
   70    HA   PHE   9           HA       PHE   9  10.797   1.133  10.242
   71    HB2  PHE   9           HB2      PHE   9  11.683   0.412  12.346
   72    HB3  PHE   9           HB3      PHE   9  11.677  -0.966  11.270
   73    HD1  PHE   9           HD2      PHE   9  13.825  -1.865  10.332
   74    HD2  PHE   9           HD1      PHE   9  13.758   1.323  13.237
   75    HE1  PHE   9           HE2      PHE   9  16.238  -2.228  10.792
   76    HE2  PHE   9           HE1      PHE   9  16.169   0.961  13.690
   77    HZ   PHE   9           HZ       PHE   9  17.416  -0.813  12.468
   78    H    ASP  10           H        ASP  10  11.367   2.789  11.960
   79    HA   ASP  10           HA       ASP  10  13.359   4.730  10.878
   80    HB2  ASP  10           HB2      ASP  10  11.010   5.158  12.745
   81    HB3  ASP  10           HB3      ASP  10  12.131   6.399  12.184
   82    HA   PRO  11           HA       PRO  11  15.553   3.778  14.811
   83    HB2  PRO  11           HB2      PRO  11  17.992   4.792  14.149
   84    HB3  PRO  11           HB3      PRO  11  17.420   3.200  13.576
   85    HG2  PRO  11           HG2      PRO  11  17.372   5.835  12.077
   86    HG3  PRO  11           HG3      PRO  11  17.919   4.233  11.494
   87    HD2  PRO  11           HD2      PRO  11  15.417   5.229  10.987
   88    HD3  PRO  11           HD3      PRO  11  15.717   3.479  11.207
   89    H    PHE  12           H        PHE  12  15.591   6.810  12.945
   90    HA   PHE  12           HA       PHE  12  14.594   8.397  15.177
   91    HB2  PHE  12           HB2      PHE  12  16.506   9.979  15.178
   92    HB3  PHE  12           HB3      PHE  12  16.948   8.392  15.751
   93    HD1  PHE  12           HD1      PHE  12  17.256  10.758  12.881
   94    HD2  PHE  12           HD2      PHE  12  18.591   7.037  14.604
   95    HE1  PHE  12           HE1      PHE  12  19.096  10.647  11.222
   96    HE2  PHE  12           HE2      PHE  12  20.431   6.929  12.942
   97    HZ   PHE  12           HZ       PHE  12  20.685   8.732  11.244
   98    H    ALA  13           H        ALA  13  14.383   7.718  11.997
   99    HA   ALA  13           HA       ALA  13  14.676  10.312  10.768
  100    HB1  ALA  13           HB1      ALA  13  13.525   7.692   9.715
  101    HB2  ALA  13           HB2      ALA  13  13.967   9.104   8.737
  102    HB3  ALA  13           HB3      ALA  13  15.225   8.209   9.610
  103    H    ASP  14           H        ASP  14  13.168  11.592   9.790
  104    HA   ASP  14           HA       ASP  14  10.301  11.322  10.040
  105    HB2  ASP  14           HB2      ASP  14  11.262  12.048  12.390
  106    HB3  ASP  14           HB3      ASP  14  11.498  13.610  11.624
  107    H    THR  15           H        THR  15   9.528  13.965   9.628
  108    HA   THR  15           HA       THR  15  10.208  14.371   6.869
  109    HB   THR  15           HB       THR  15   8.769  16.218   8.813
  110    HG1  THR  15           HG1      THR  15   6.943  15.185   7.956
  111   HG21  THR  15          HG21      THR  15   8.769  16.099   5.753
  112   HG22  THR  15          HG22      THR  15   9.401  17.426   6.754
  113   HG23  THR  15          HG23      THR  15   7.669  17.087   6.742
  114    H    GLY  16           H        GLY  16  11.728  15.527   5.930
  115    HA2  GLY  16           HA2      GLY  16  13.354  17.539   7.460
  116    HA3  GLY  16           HA3      GLY  16  14.050  16.401   6.299
  117    H    ASP  17           H        ASP  17  14.424  19.120   6.107
  118    HA   ASP  17           HA       ASP  17  12.675  20.281   4.072
  119    HB2  ASP  17           HB2      ASP  17  13.831  21.578   5.854
  120    HB3  ASP  17           HB3      ASP  17  15.389  21.146   5.149
  121    H    ASP  18           H        ASP  18  15.531  18.284   4.005
  122    HA   ASP  18           HA       ASP  18  16.428  19.073   1.342
  123    HB2  ASP  18           HB2      ASP  18  17.931  18.385   3.232
  124    HB3  ASP  18           HB3      ASP  18  17.302  16.742   3.084
  125    H    GLU  19           H        GLU  19  16.776  17.502  -0.377
  126    HA   GLU  19           HA       GLU  19  14.323  16.163  -1.177
  127    HB2  GLU  19           HB2      GLU  19  15.815  17.439  -2.700
  128    HB3  GLU  19           HB3      GLU  19  17.080  16.226  -2.475
  129    HG2  GLU  19           HG2      GLU  19  15.660  14.514  -3.530
  130    HG3  GLU  19           HG3      GLU  19  14.313  15.655  -3.625
  131    H    THR  20           H        THR  20  13.985  13.950  -1.557
  132    HA   THR  20           HA       THR  20  16.002  11.962  -0.802
  133    HB   THR  20           HB       THR  20  14.915  12.546   1.338
  134    HG1  THR  20           HG1      THR  20  14.637  10.390   1.871
  135   HG21  THR  20          HG21      THR  20  12.394  11.306   0.132
  136   HG22  THR  20          HG22      THR  20  12.600  13.024   0.537
  137   HG23  THR  20          HG23      THR  20  12.635  11.808   1.820
  138    H    ALA  21           H        ALA  21  15.488   9.864  -1.375
  139    HA   ALA  21           HA       ALA  21  13.339   8.954  -2.997
  140    HB1  ALA  21           HB1      ALA  21  15.833   9.903  -4.496
  141    HB2  ALA  21           HB2      ALA  21  14.550   8.897  -5.194
  142    HB3  ALA  21           HB3      ALA  21  14.187  10.549  -4.683
  143    H    THR  22           H        THR  22  13.683   6.721  -3.658
  144    HA   THR  22           HA       THR  22  16.162   5.338  -3.175
  145    HB   THR  22           HB       THR  22  15.653   5.798  -0.827
  146    HG1  THR  22           HG1      THR  22  16.105   3.772  -0.206
  147   HG21  THR  22          HG21      THR  22  13.183   5.806  -0.871
  148   HG22  THR  22          HG22      THR  22  13.815   4.664   0.324
  149   HG23  THR  22          HG23      THR  22  13.180   4.060  -1.220
  150    H    SER  23           H        SER  23  16.119   3.122  -3.483
  151    HA   SER  23           HA       SER  23  13.891   2.091  -5.184
  152    HB2  SER  23           HB2      SER  23  16.707   1.025  -4.743
  153    HB3  SER  23           HB3      SER  23  15.511   0.386  -5.884
  154    HG   SER  23           HG       SER  23  17.039   1.807  -6.892
  155    H    ASN  24           H        ASN  24  14.399   2.138  -1.979
  156    HA   ASN  24           HA       ASN  24  14.653  -0.443  -1.036
  157    HB2  ASN  24           HB2      ASN  24  14.732   1.655   0.299
  158    HB3  ASN  24           HB3      ASN  24  12.973   1.775   0.193
  159   HD21  ASN  24          HD21      ASN  24  11.732   0.568   1.688
  160   HD22  ASN  24          HD22      ASN  24  12.452  -0.593   2.793
  161    H    TYR  25           H        TYR  25  13.310  -2.077  -0.262
  162    HA   TYR  25           HA       TYR  25  11.131  -2.761  -1.960
  163    HB2  TYR  25           HB2      TYR  25  12.285  -3.971   0.568
  164    HB3  TYR  25           HB3      TYR  25  10.849  -4.635  -0.182
  165    HD1  TYR  25           HD2      TYR  25  14.489  -4.059  -0.691
  166    HD2  TYR  25           HD1      TYR  25  10.887  -5.833  -2.259
  167    HE1  TYR  25           HE2      TYR  25  15.850  -5.441  -2.243
  168    HE2  TYR  25           HE1      TYR  25  12.252  -7.258  -3.778
  169    HH   TYR  25           HH       TYR  25  14.367  -7.800  -4.504
  170    H    ILE  26           H        ILE  26   8.997  -2.841  -1.730
  171    HA   ILE  26           HA       ILE  26   7.690  -1.408   0.551
  172    HB   ILE  26           HB       ILE  26   6.449  -2.418  -2.042
  173   HG12  ILE  26          HG12      ILE  26   6.331   0.271  -2.336
  174   HG13  ILE  26          HG13      ILE  26   7.825   0.175  -1.404
  175   HG21  ILE  26          HG21      ILE  26   5.446  -0.480   0.100
  176   HG22  ILE  26          HG22      ILE  26   4.581  -0.926  -1.387
  177   HG23  ILE  26          HG23      ILE  26   4.871  -2.142  -0.144
  178   HD11  ILE  26          HD11      ILE  26   8.841  -1.241  -3.143
  179   HD12  ILE  26          HD12      ILE  26   7.300  -1.261  -4.034
  180   HD13  ILE  26          HD13      ILE  26   8.211   0.251  -3.831
  181    H    HIS  27           H        HIS  27   7.151  -2.649   2.221
  182    HA   HIS  27           HA       HIS  27   6.541  -5.549   1.835
  183    HB2  HIS  27           HB2      HIS  27   7.066  -3.924   4.347
  184    HB3  HIS  27           HB3      HIS  27   6.779  -5.662   4.281
  185    HD2  HIS  27           HD2      HIS  27   9.489  -3.063   3.995
  186    HE1  HIS  27           HE1      HIS  27  11.299  -6.691   2.719
  187    HE2  HIS  27           HE2      HIS  27  11.747  -4.276   3.392
  188    H    ILE  28           H        ILE  28   4.440  -6.017   1.534
  189    HA   ILE  28           HA       ILE  28   2.346  -4.351   2.923
  190    HB   ILE  28           HB       ILE  28   1.893  -6.139   0.514
  191   HG12  ILE  28          HG12      ILE  28   2.204  -3.098   0.510
  192   HG13  ILE  28          HG13      ILE  28   3.452  -4.212  -0.049
  193   HG21  ILE  28          HG21      ILE  28  -0.087  -5.693   1.954
  194   HG22  ILE  28          HG22      ILE  28   0.231  -3.953   1.893
  195   HG23  ILE  28          HG23      ILE  28  -0.256  -4.818   0.438
  196   HD11  ILE  28          HD11      ILE  28   0.717  -3.913  -1.304
  197   HD12  ILE  28          HD12      ILE  28   2.275  -3.386  -1.960
  198   HD13  ILE  28          HD13      ILE  28   1.934  -5.119  -1.763
  199    H    ARG  29           H        ARG  29   2.015  -5.220   4.781
  200    HA   ARG  29           HA       ARG  29   2.014  -8.173   5.219
  201    HB2  ARG  29           HB2      ARG  29   2.363  -5.902   7.217
  202    HB3  ARG  29           HB3      ARG  29   2.609  -7.622   7.522
  203    HG2  ARG  29           HG2      ARG  29   4.564  -7.576   5.969
  204    HG3  ARG  29           HG3      ARG  29   4.315  -5.838   5.723
  205    HD2  ARG  29           HD2      ARG  29   4.564  -5.513   8.204
  206    HD3  ARG  29           HD3      ARG  29   4.991  -7.219   8.357
  207    HE   ARG  29           HE       ARG  29   6.646  -5.037   7.382
  208   HH11  ARG  29          HH11      ARG  29   6.348  -8.568   7.185
  209   HH12  ARG  29          HH12      ARG  29   8.001  -8.743   6.677
  210   HH21  ARG  29          HH21      ARG  29   8.713  -5.348   6.757
  211   HH22  ARG  29          HH22      ARG  29   9.328  -6.953   6.420
  212    H    ILE  30           H        ILE  30   0.616  -8.768   7.215
  213    HA   ILE  30           HA       ILE  30  -1.854  -7.117   7.460
  214    HB   ILE  30           HB       ILE  30  -1.761 -10.145   7.171
  215   HG12  ILE  30          HG12      ILE  30  -3.133  -8.032   5.445
  216   HG13  ILE  30          HG13      ILE  30  -1.664  -8.903   5.008
  217   HG21  ILE  30          HG21      ILE  30  -4.214 -10.103   7.512
  218   HG22  ILE  30          HG22      ILE  30  -3.411  -9.460   8.908
  219   HG23  ILE  30          HG23      ILE  30  -4.160  -8.344   7.749
  220   HD11  ILE  30          HD11      ILE  30  -2.898 -11.052   5.048
  221   HD12  ILE  30          HD12      ILE  30  -4.411 -10.159   5.354
  222   HD13  ILE  30          HD13      ILE  30  -3.535  -9.891   3.858
  223    H    GLN  31           H        GLN  31  -2.686  -7.035   9.553
  224    HA   GLN  31           HA       GLN  31  -0.744  -7.701  11.709
  225    HB2  GLN  31           HB2      GLN  31  -3.304  -6.050  11.778
  226    HB3  GLN  31           HB3      GLN  31  -2.113  -6.167  13.067
  227    HG2  GLN  31           HG2      GLN  31  -1.624  -4.917  10.328
  228    HG3  GLN  31           HG3      GLN  31  -1.933  -4.049  11.823
  229   HE21  GLN  31          HE21      GLN  31  -0.239  -4.103  13.554
  230   HE22  GLN  31          HE22      GLN  31   1.412  -4.433  13.041
  231    H    GLN  32           H        GLN  32  -1.690  -8.425  13.854
  232    HA   GLN  32           HA       GLN  32  -3.283 -10.811  13.572
  233    HB2  GLN  32           HB2      GLN  32  -2.532  -9.191  16.055
  234    HB3  GLN  32           HB3      GLN  32  -3.311 -10.768  16.057
  235    HG2  GLN  32           HG2      GLN  32  -1.027 -11.205  16.471
  236    HG3  GLN  32           HG3      GLN  32  -1.329 -11.717  14.818
  237   HE21  GLN  32          HE21      GLN  32   1.064 -11.585  14.521
  238   HE22  GLN  32          HE22      GLN  32   1.796 -10.007  14.281
  239    H    ARG  33           H        ARG  33  -5.438 -11.094  13.659
  240    HA   ARG  33           HA       ARG  33  -7.051  -8.799  13.136
  241    HB2  ARG  33           HB2      ARG  33  -7.774 -11.734  13.480
  242    HB3  ARG  33           HB3      ARG  33  -8.897 -10.478  12.939
  243    HG2  ARG  33           HG2      ARG  33  -7.380  -9.942  11.041
  244    HG3  ARG  33           HG3      ARG  33  -6.334 -11.291  11.497
  245    HD2  ARG  33           HD2      ARG  33  -9.294 -11.566  10.794
  246    HD3  ARG  33           HD3      ARG  33  -7.976 -11.773   9.649
  247    HE   ARG  33           HE       ARG  33  -7.248 -13.734  10.720
  248   HH11  ARG  33          HH11      ARG  33 -10.222 -12.583  12.332
  249   HH12  ARG  33          HH12      ARG  33 -10.540 -14.160  12.981
  250   HH21  ARG  33          HH21      ARG  33  -7.749 -15.701  11.633
  251   HH22  ARG  33          HH22      ARG  33  -9.164 -15.874  12.622
  252    H    ASN  34           H        ASN  34  -8.664  -7.846  14.154
  253    HA   ASN  34           HA       ASN  34  -9.151  -8.349  17.049
  254    HB2  ASN  34           HB2      ASN  34  -8.564  -6.057  16.360
  255    HB3  ASN  34           HB3      ASN  34  -9.930  -6.016  15.246
  256   HD21  ASN  34          HD21      ASN  34  -9.252  -6.715  18.760
  257   HD22  ASN  34          HD22      ASN  34 -10.686  -5.883  19.330
  258    H    GLY  35           H        GLY  35 -10.106 -10.446  16.260
  259    HA2  GLY  35           HA2      GLY  35 -11.961 -11.811  15.887
  260    HA3  GLY  35           HA3      GLY  35 -12.997 -10.381  16.060
  261    H    ARG  36           H        ARG  36 -14.151  -9.948  14.307
  262    HA   ARG  36           HA       ARG  36 -13.563 -11.039  11.680
  263    HB2  ARG  36           HB2      ARG  36 -15.666  -9.049  12.632
  264    HB3  ARG  36           HB3      ARG  36 -15.582  -9.728  11.001
  265    HG2  ARG  36           HG2      ARG  36 -15.803 -12.026  11.940
  266    HG3  ARG  36           HG3      ARG  36 -15.977 -11.334  13.566
  267    HD2  ARG  36           HD2      ARG  36 -17.990 -10.098  12.829
  268    HD3  ARG  36           HD3      ARG  36 -17.817 -10.789  11.201
  269    HE   ARG  36           HE       ARG  36 -17.870 -12.913  13.093
  270   HH11  ARG  36          HH11      ARG  36 -20.127 -10.543  11.748
  271   HH12  ARG  36          HH12      ARG  36 -21.505 -11.569  12.010
  272   HH21  ARG  36          HH21      ARG  36 -19.688 -14.186  13.406
  273   HH22  ARG  36          HH22      ARG  36 -21.256 -13.603  12.938
  274    H    LYS  37           H        LYS  37 -12.680  -8.018  13.239
  275    HA   LYS  37           HA       LYS  37 -12.163  -6.614  10.702
  276    HB2  LYS  37           HB2      LYS  37 -11.706  -5.955  13.629
  277    HB3  LYS  37           HB3      LYS  37 -11.028  -4.956  12.356
  278    HG2  LYS  37           HG2      LYS  37 -14.007  -5.541  12.627
  279    HG3  LYS  37           HG3      LYS  37 -13.187  -4.130  13.301
  280    HD2  LYS  37           HD2      LYS  37 -12.425  -3.503  10.981
  281    HD3  LYS  37           HD3      LYS  37 -13.426  -4.825  10.339
  282    HE2  LYS  37           HE2      LYS  37 -15.436  -3.801  11.391
  283    HE3  LYS  37           HE3      LYS  37 -14.433  -2.483  12.015
  284    HZ1  LYS  37           HZ1      LYS  37 -14.864  -3.087   9.141
  285    HZ2  LYS  37           HZ2      LYS  37 -13.901  -1.888   9.703
  286    HZ3  LYS  37           HZ3      LYS  37 -15.516  -1.834   9.960
  287    H    THR  38           H        THR  38 -10.342  -6.337   9.674
  288    HA   THR  38           HA       THR  38  -7.779  -7.594  10.584
  289    HB   THR  38           HB       THR  38  -8.990  -7.632   7.782
  290    HG1  THR  38           HG1      THR  38  -9.392  -9.771   8.206
  291   HG21  THR  38          HG21      THR  38  -6.481  -8.944   8.925
  292   HG22  THR  38          HG22      THR  38  -6.561  -7.726   7.628
  293   HG23  THR  38          HG23      THR  38  -7.201  -9.346   7.350
  294    H    LEU  39           H        LEU  39  -5.895  -6.487   9.846
  295    HA   LEU  39           HA       LEU  39  -6.299  -3.931   8.361
  296    HB2  LEU  39           HB2      LEU  39  -4.528  -4.365  10.797
  297    HB3  LEU  39           HB3      LEU  39  -4.423  -2.965   9.742
  298    HG   LEU  39           HG       LEU  39  -6.871  -3.706  11.404
  299   HD11  LEU  39          HD11      LEU  39  -4.933  -3.034  12.783
  300   HD12  LEU  39          HD12      LEU  39  -6.200  -1.794  12.807
  301   HD13  LEU  39          HD13      LEU  39  -4.749  -1.557  11.809
  302   HD21  LEU  39          HD21      LEU  39  -7.596  -1.367  10.864
  303   HD22  LEU  39          HD22      LEU  39  -7.527  -2.405   9.443
  304   HD23  LEU  39          HD23      LEU  39  -6.233  -1.225   9.731
  305    H    THR  40           H        THR  40  -5.122  -3.767   6.658
  306    HA   THR  40           HA       THR  40  -2.722  -5.447   6.113
  307    HB   THR  40           HB       THR  40  -4.417  -3.578   4.397
  308    HG1  THR  40           HG1      THR  40  -5.180  -5.662   4.960
  309   HG21  THR  40          HG21      THR  40  -1.960  -5.229   3.617
  310   HG22  THR  40          HG22      THR  40  -2.072  -3.452   3.578
  311   HG23  THR  40          HG23      THR  40  -3.067  -4.424   2.488
  312    H    THR  41           H        THR  41  -0.698  -4.542   6.114
  313    HA   THR  41           HA       THR  41  -0.410  -1.669   6.907
  314    HB   THR  41           HB       THR  41   1.665  -2.719   8.192
  315    HG1  THR  41           HG1      THR  41   0.863  -4.686   9.198
  316   HG21  THR  41          HG21      THR  41  -1.208  -2.772   9.219
  317   HG22  THR  41          HG22      THR  41  -0.171  -1.333   9.113
  318   HG23  THR  41          HG23      THR  41   0.276  -2.646  10.205
  319    H    VAL  42           H        VAL  42   0.685  -0.521   5.604
  320    HA   VAL  42           HA       VAL  42   2.578  -1.809   3.667
  321    HB   VAL  42           HB       VAL  42   1.508   1.025   3.602
  322   HG11  VAL  42          HG11      VAL  42   2.941  -0.650   1.490
  323   HG12  VAL  42          HG12      VAL  42   2.280   0.983   1.252
  324   HG13  VAL  42          HG13      VAL  42   3.629   0.738   2.361
  325   HG21  VAL  42          HG21      VAL  42   0.029   0.236   1.777
  326   HG22  VAL  42          HG22      VAL  42   0.547  -1.442   2.100
  327   HG23  VAL  42          HG23      VAL  42  -0.377  -0.527   3.314
  328    H    GLN  43           H        GLN  43   4.649  -1.712   4.058
  329    HA   GLN  43           HA       GLN  43   5.891   0.484   5.688
  330    HB2  GLN  43           HB2      GLN  43   5.690  -1.511   7.062
  331    HB3  GLN  43           HB3      GLN  43   6.241  -2.539   5.763
  332    HG2  GLN  43           HG2      GLN  43   8.526  -1.470   5.920
  333    HG3  GLN  43           HG3      GLN  43   7.944  -0.553   7.320
  334   HE21  GLN  43          HE21      GLN  43   7.284  -1.900   9.232
  335   HE22  GLN  43          HE22      GLN  43   7.993  -3.501   9.421
  336    H    GLY  44           H        GLY  44   8.079   1.002   5.109
  337    HA2  GLY  44           HA2      GLY  44  10.023   1.024   3.898
  338    HA3  GLY  44           HA3      GLY  44   9.517  -0.499   3.134
  339    H    VAL  45           H        VAL  45   7.068   1.416   2.335
  340    HA   VAL  45           HA       VAL  45   7.665   1.910  -0.317
  341    HB   VAL  45           HB       VAL  45   5.427   2.044   0.504
  342   HG11  VAL  45          HG11      VAL  45   6.052   4.781   1.665
  343   HG12  VAL  45          HG12      VAL  45   4.481   3.960   1.632
  344   HG13  VAL  45          HG13      VAL  45   5.793   3.304   2.624
  345   HG21  VAL  45          HG21      VAL  45   4.616   3.910  -0.861
  346   HG22  VAL  45          HG22      VAL  45   6.225   4.656  -0.852
  347   HG23  VAL  45          HG23      VAL  45   5.964   3.095  -1.671
  348    HA   PRO  46           HA       PRO  46  10.921   4.933  -0.288
  349    HB2  PRO  46           HB2      PRO  46   9.642   5.683  -2.929
  350    HB3  PRO  46           HB3      PRO  46  11.359   5.545  -2.551
  351    HG2  PRO  46           HG2      PRO  46  10.114   3.503  -3.794
  352    HG3  PRO  46           HG3      PRO  46  11.184   3.129  -2.403
  353    HD2  PRO  46           HD2      PRO  46   8.161   3.359  -2.431
  354    HD3  PRO  46           HD3      PRO  46   9.212   2.137  -1.656
  355    H    GLU  47           H        GLU  47  11.193   6.959   0.444
  356    HA   GLU  47           HA       GLU  47   8.911   8.336   1.439
  357    HB2  GLU  47           HB2      GLU  47  11.876   9.024   1.344
  358    HB3  GLU  47           HB3      GLU  47  10.683   9.985   2.236
  359    HG2  GLU  47           HG2      GLU  47  10.087   8.004   3.597
  360    HG3  GLU  47           HG3      GLU  47  11.292   7.039   2.738
  361    H    GLU  48           H        GLU  48  10.257   8.573  -1.632
  362    HA   GLU  48           HA       GLU  48   9.606  11.341  -2.253
  363    HB2  GLU  48           HB2      GLU  48  10.051  10.699  -4.548
  364    HB3  GLU  48           HB3      GLU  48  11.309  10.082  -3.481
  365    HG2  GLU  48           HG2      GLU  48   9.968   7.851  -3.489
  366    HG3  GLU  48           HG3      GLU  48   9.094   8.526  -4.861
  367    H    TYR  49           H        TYR  49   7.715   8.454  -1.825
  368    HA   TYR  49           HA       TYR  49   5.379   9.531  -3.308
  369    HB2  TYR  49           HB2      TYR  49   5.784   6.894  -1.853
  370    HB3  TYR  49           HB3      TYR  49   4.359   7.366  -2.761
  371    HD1  TYR  49           HD1      TYR  49   4.736   8.046  -5.281
  372    HD2  TYR  49           HD2      TYR  49   7.500   5.671  -2.970
  373    HE1  TYR  49           HE1      TYR  49   5.729   7.154  -7.383
  374    HE2  TYR  49           HE2      TYR  49   8.489   4.784  -5.063
  375    HH   TYR  49           HH       TYR  49   8.457   4.820  -7.364
  376    H    ASP  50           H        ASP  50   3.753  10.559  -2.295
  377    HA   ASP  50           HA       ASP  50   3.941  11.167   0.552
  378    HB2  ASP  50           HB2      ASP  50   3.342  12.904  -1.043
  379    HB3  ASP  50           HB3      ASP  50   1.958  11.968  -1.606
  380    H    LEU  51           H        LEU  51   3.125   9.955   2.127
  381    HA   LEU  51           HA       LEU  51   1.464   7.685   1.709
  382    HB2  LEU  51           HB2      LEU  51   1.898   9.280   4.269
  383    HB3  LEU  51           HB3      LEU  51   1.319   7.618   4.171
  384    HG   LEU  51           HG       LEU  51   4.111   8.650   3.531
  385   HD11  LEU  51          HD11      LEU  51   4.742   7.259   5.463
  386   HD12  LEU  51          HD12      LEU  51   3.053   6.746   5.670
  387   HD13  LEU  51          HD13      LEU  51   3.505   8.445   5.921
  388   HD21  LEU  51          HD21      LEU  51   3.606   6.813   1.948
  389   HD22  LEU  51          HD22      LEU  51   3.113   5.775   3.310
  390   HD23  LEU  51          HD23      LEU  51   4.791   6.323   3.162
  391    H    LYS  52           H        LYS  52   0.577  10.989   2.727
  392    HA   LYS  52           HA       LYS  52  -2.190  10.464   3.242
  393    HB2  LYS  52           HB2      LYS  52  -0.779  13.024   2.395
  394    HB3  LYS  52           HB3      LYS  52  -2.458  12.923   2.941
  395    HG2  LYS  52           HG2      LYS  52  -1.713  12.009   5.122
  396    HG3  LYS  52           HG3      LYS  52  -0.021  12.118   4.597
  397    HD2  LYS  52           HD2      LYS  52  -0.259  14.571   4.323
  398    HD3  LYS  52           HD3      LYS  52  -1.948  14.466   4.871
  399    HE2  LYS  52           HE2      LYS  52  -1.183  13.518   7.039
  400    HE3  LYS  52           HE3      LYS  52   0.496  13.611   6.494
  401    HZ1  LYS  52           HZ1      LYS  52  -0.092  15.516   7.869
  402    HZ2  LYS  52           HZ2      LYS  52  -1.305  15.942   6.860
  403    HZ3  LYS  52           HZ3      LYS  52   0.249  16.028   6.356
  404    H    ARG  53           H        ARG  53  -0.575  11.307   0.132
  405    HA   ARG  53           HA       ARG  53  -2.966  11.267  -1.429
  406    HB2  ARG  53           HB2      ARG  53  -0.837  12.168  -2.262
  407    HB3  ARG  53           HB3      ARG  53  -0.106  10.569  -2.210
  408    HG2  ARG  53           HG2      ARG  53  -0.698  11.184  -4.486
  409    HG3  ARG  53           HG3      ARG  53  -1.586   9.754  -3.970
  410    HD2  ARG  53           HD2      ARG  53  -3.601  11.161  -3.557
  411    HD3  ARG  53           HD3      ARG  53  -2.690  12.594  -4.086
  412    HE   ARG  53           HE       ARG  53  -2.491  10.670  -6.135
  413   HH11  ARG  53          HH11      ARG  53  -5.072  12.623  -4.699
  414   HH12  ARG  53          HH12      ARG  53  -6.033  12.575  -6.146
  415   HH21  ARG  53          HH21      ARG  53  -3.777  10.663  -7.971
  416   HH22  ARG  53          HH22      ARG  53  -5.304  11.488  -7.972
  417    H    ILE  54           H        ILE  54  -0.835   8.594  -0.361
  418    HA   ILE  54           HA       ILE  54  -2.164   6.483  -1.846
  419    HB   ILE  54           HB       ILE  54  -0.515   6.294   0.686
  420   HG12  ILE  54          HG12      ILE  54   0.258   5.878  -2.232
  421   HG13  ILE  54          HG13      ILE  54   0.681   7.290  -1.299
  422   HG21  ILE  54          HG21      ILE  54  -1.432   4.176  -1.318
  423   HG22  ILE  54          HG22      ILE  54  -0.290   3.887   0.011
  424   HG23  ILE  54          HG23      ILE  54  -1.950   4.314   0.374
  425   HD11  ILE  54          HD11      ILE  54   1.700   4.475  -0.832
  426   HD12  ILE  54          HD12      ILE  54   2.604   5.899  -1.356
  427   HD13  ILE  54          HD13      ILE  54   1.964   5.826   0.297
  428    H    LEU  55           H        LEU  55  -2.749   7.853   1.468
  429    HA   LEU  55           HA       LEU  55  -5.005   6.209   2.050
  430    HB2  LEU  55           HB2      LEU  55  -4.728   9.161   2.787
  431    HB3  LEU  55           HB3      LEU  55  -5.759   7.956   3.505
  432    HG   LEU  55           HG       LEU  55  -2.805   8.369   3.867
  433   HD11  LEU  55          HD11      LEU  55  -5.146   7.938   5.774
  434   HD12  LEU  55          HD12      LEU  55  -4.448   9.512   5.322
  435   HD13  LEU  55          HD13      LEU  55  -3.483   8.348   6.240
  436   HD21  LEU  55          HD21      LEU  55  -4.284   5.789   4.505
  437   HD22  LEU  55          HD22      LEU  55  -2.703   6.261   5.171
  438   HD23  LEU  55          HD23      LEU  55  -2.867   6.007   3.433
  439    H    LYS  56           H        LYS  56  -4.981   9.468   0.518
  440    HA   LYS  56           HA       LYS  56  -7.729   9.682   0.006
  441    HB2  LYS  56           HB2      LYS  56  -5.308  10.796  -1.433
  442    HB3  LYS  56           HB3      LYS  56  -6.965  11.220  -1.883
  443    HG2  LYS  56           HG2      LYS  56  -7.449  12.039   0.375
  444    HG3  LYS  56           HG3      LYS  56  -5.827  11.592   0.928
  445    HD2  LYS  56           HD2      LYS  56  -4.846  13.114  -0.778
  446    HD3  LYS  56           HD3      LYS  56  -6.473  13.612  -1.258
  447    HE2  LYS  56           HE2      LYS  56  -5.292  13.937   1.547
  448    HE3  LYS  56           HE3      LYS  56  -5.269  15.199   0.313
  449    HZ1  LYS  56           HZ1      LYS  56  -7.134  15.505   1.799
  450    HZ2  LYS  56           HZ2      LYS  56  -7.730  14.020   1.479
  451    HZ3  LYS  56           HZ3      LYS  56  -7.702  15.165   0.308
  452    H    VAL  57           H        VAL  57  -5.283   8.339  -2.247
  453    HA   VAL  57           HA       VAL  57  -7.237   7.833  -4.291
  454    HB   VAL  57           HB       VAL  57  -4.817   8.187  -4.683
  455   HG11  VAL  57          HG11      VAL  57  -4.395   5.271  -4.041
  456   HG12  VAL  57          HG12      VAL  57  -3.207   6.555  -4.431
  457   HG13  VAL  57          HG13      VAL  57  -4.071   6.585  -2.901
  458   HG21  VAL  57          HG21      VAL  57  -6.337   7.317  -6.450
  459   HG22  VAL  57          HG22      VAL  57  -4.670   6.746  -6.631
  460   HG23  VAL  57          HG23      VAL  57  -5.912   5.656  -5.978
  461    H    LEU  58           H        LEU  58  -5.916   5.644  -1.742
  462    HA   LEU  58           HA       LEU  58  -7.361   3.323  -2.757
  463    HB2  LEU  58           HB2      LEU  58  -6.100   3.899  -0.050
  464    HB3  LEU  58           HB3      LEU  58  -6.731   2.333  -0.556
  465    HG   LEU  58           HG       LEU  58  -4.400   3.784  -1.902
  466   HD11  LEU  58          HD11      LEU  58  -3.922   2.935   0.408
  467   HD12  LEU  58          HD12      LEU  58  -2.985   2.107  -0.855
  468   HD13  LEU  58          HD13      LEU  58  -4.397   1.315  -0.139
  469   HD21  LEU  58          HD21      LEU  58  -4.010   1.563  -3.000
  470   HD22  LEU  58          HD22      LEU  58  -5.447   2.417  -3.557
  471   HD23  LEU  58          HD23      LEU  58  -5.610   1.046  -2.425
  472    H    LYS  59           H        LYS  59  -8.159   5.844  -0.341
  473    HA   LYS  59           HA       LYS  59 -10.697   4.671   0.418
  474    HB2  LYS  59           HB2      LYS  59  -9.617   7.517   0.476
  475    HB3  LYS  59           HB3      LYS  59 -11.192   7.049   1.134
  476    HG2  LYS  59           HG2      LYS  59 -10.157   5.486   2.695
  477    HG3  LYS  59           HG3      LYS  59  -8.557   5.800   2.041
  478    HD2  LYS  59           HD2      LYS  59  -8.819   8.239   2.673
  479    HD3  LYS  59           HD3      LYS  59 -10.344   7.806   3.480
  480    HE2  LYS  59           HE2      LYS  59  -9.051   6.142   4.869
  481    HE3  LYS  59           HE3      LYS  59  -7.563   6.701   4.113
  482    HZ1  LYS  59           HZ1      LYS  59  -9.388   8.388   5.747
  483    HZ2  LYS  59           HZ2      LYS  59  -7.987   8.903   5.076
  484    HZ3  LYS  59           HZ3      LYS  59  -7.967   7.762   6.258
  485    H    LYS  60           H        LYS  60  -9.760   6.805  -2.280
  486    HA   LYS  60           HA       LYS  60 -12.486   7.221  -3.178
  487    HB2  LYS  60           HB2      LYS  60 -10.676   8.855  -3.510
  488    HB3  LYS  60           HB3      LYS  60  -9.781   7.711  -4.500
  489    HG2  LYS  60           HG2      LYS  60 -10.846   9.357  -5.896
  490    HG3  LYS  60           HG3      LYS  60 -11.559   7.780  -6.225
  491    HD2  LYS  60           HD2      LYS  60 -13.528   8.362  -4.829
  492    HD3  LYS  60           HD3      LYS  60 -12.816   9.934  -4.450
  493    HE2  LYS  60           HE2      LYS  60 -13.521   8.950  -7.260
  494    HE3  LYS  60           HE3      LYS  60 -14.589   9.932  -6.254
  495    HZ1  LYS  60           HZ1      LYS  60 -13.361  11.319  -7.784
  496    HZ2  LYS  60           HZ2      LYS  60 -11.922  10.793  -7.226
  497    HZ3  LYS  60           HZ3      LYS  60 -12.902  11.684  -6.261
  498    H    ASP  61           H        ASP  61  -9.789   5.393  -4.724
  499    HA   ASP  61           HA       ASP  61 -11.606   4.368  -6.754
  500    HB2  ASP  61           HB2      ASP  61  -9.248   5.163  -7.138
  501    HB3  ASP  61           HB3      ASP  61  -8.670   3.733  -6.294
  502    H    PHE  62           H        PHE  62  -9.846   2.880  -4.009
  503    HA   PHE  62           HA       PHE  62 -10.959   0.205  -4.640
  504    HB2  PHE  62           HB2      PHE  62  -8.932   1.148  -2.570
  505    HB3  PHE  62           HB3      PHE  62  -9.497  -0.490  -2.738
  506    HD1  PHE  62           HD1      PHE  62  -7.766   2.223  -4.706
  507    HD2  PHE  62           HD2      PHE  62  -8.379  -2.005  -4.103
  508    HE1  PHE  62           HE1      PHE  62  -5.910   1.737  -6.249
  509    HE2  PHE  62           HE2      PHE  62  -6.489  -2.481  -5.637
  510    HZ   PHE  62           HZ       PHE  62  -5.247  -0.631  -6.709
  511    H    ALA  63           H        ALA  63 -12.030   2.880  -2.967
  512    HA   ALA  63           HA       ALA  63 -13.592   3.321  -1.385
  513    HB1  ALA  63           HB1      ALA  63 -14.597   0.509  -1.982
  514    HB2  ALA  63           HB2      ALA  63 -15.525   1.856  -1.297
  515    HB3  ALA  63           HB3      ALA  63 -14.933   1.952  -2.965
  516    H    CYS  64           H        CYS  64 -11.051   2.327  -0.392
  517    HA   CYS  64           HA       CYS  64 -11.603   0.489   1.839
  518    HB2  CYS  64           HB2      CYS  64  -9.123   1.865   0.716
  519    HB3  CYS  64           HB3      CYS  64  -9.082   0.892   2.190
  520    HG   CYS  64           HG       CYS  64 -10.411  -0.132  -0.667
  521    H    ASN  65           H        ASN  65 -10.307   1.118   3.923
  522    HA   ASN  65           HA       ASN  65 -10.746   3.938   4.765
  523    HB2  ASN  65           HB2      ASN  65 -11.593   1.468   6.352
  524    HB3  ASN  65           HB3      ASN  65 -11.530   3.111   6.992
  525   HD21  ASN  65          HD21      ASN  65 -13.008   4.767   5.973
  526   HD22  ASN  65          HD22      ASN  65 -14.514   4.187   5.288
  527    H    GLY  66           H        GLY  66  -9.047   4.662   6.165
  528    HA2  GLY  66           HA2      GLY  66  -6.963   2.896   7.131
  529    HA3  GLY  66           HA3      GLY  66  -6.543   3.552   5.572
  530    H    ASN  67           H        ASN  67  -4.888   3.981   7.506
  531    HA   ASN  67           HA       ASN  67  -4.800   6.852   7.901
  532    HB2  ASN  67           HB2      ASN  67  -4.930   7.010  10.246
  533    HB3  ASN  67           HB3      ASN  67  -6.339   6.080   9.768
  534   HD21  ASN  67          HD21      ASN  67  -6.116   3.593  10.019
  535   HD22  ASN  67          HD22      ASN  67  -5.056   3.015  11.302
  536    H    ILE  68           H        ILE  68  -2.765   7.540   9.111
  537    HA   ILE  68           HA       ILE  68  -0.489   5.693   8.490
  538    HB   ILE  68           HB       ILE  68  -0.572   8.702   8.906
  539   HG12  ILE  68          HG12      ILE  68   0.257   7.216   6.382
  540   HG13  ILE  68          HG13      ILE  68  -1.422   7.617   6.667
  541   HG21  ILE  68          HG21      ILE  68   1.804   6.877   8.279
  542   HG22  ILE  68          HG22      ILE  68   1.845   8.649   8.226
  543   HG23  ILE  68          HG23      ILE  68   1.569   7.837   9.757
  544   HD11  ILE  68          HD11      ILE  68  -0.470   9.330   5.285
  545   HD12  ILE  68          HD12      ILE  68  -0.858  10.024   6.866
  546   HD13  ILE  68          HD13      ILE  68   0.829   9.642   6.452
  547    H    VAL  69           H        VAL  69   0.805   4.938  10.068
  548    HA   VAL  69           HA       VAL  69   0.618   6.031  12.863
  549    HB   VAL  69           HB       VAL  69   0.711   3.073  12.110
  550   HG11  VAL  69          HG11      VAL  69   2.027   3.420  14.137
  551   HG12  VAL  69          HG12      VAL  69   0.728   4.409  14.852
  552   HG13  VAL  69          HG13      VAL  69   0.494   2.670  14.568
  553   HG21  VAL  69          HG21      VAL  69  -1.553   3.889  11.830
  554   HG22  VAL  69          HG22      VAL  69  -1.478   2.951  13.322
  555   HG23  VAL  69          HG23      VAL  69  -1.498   4.721  13.406
  556    H    LYS  70           H        LYS  70   2.625   6.152  13.917
  557    HA   LYS  70           HA       LYS  70   5.017   5.182  12.390
  558    HB2  LYS  70           HB2      LYS  70   4.687   7.678  12.615
  559    HB3  LYS  70           HB3      LYS  70   4.953   7.492  14.354
  560    HG2  LYS  70           HG2      LYS  70   7.208   6.525  13.889
  561    HG3  LYS  70           HG3      LYS  70   6.895   6.653  12.145
  562    HD2  LYS  70           HD2      LYS  70   6.613   9.144  12.422
  563    HD3  LYS  70           HD3      LYS  70   7.011   8.964  14.131
  564    HE2  LYS  70           HE2      LYS  70   8.970   9.720  13.007
  565    HE3  LYS  70           HE3      LYS  70   9.259   8.044  13.483
  566    HZ1  LYS  70           HZ1      LYS  70   8.331   8.818  10.767
  567    HZ2  LYS  70           HZ2      LYS  70   8.948   7.361  11.229
  568    HZ3  LYS  70           HZ3      LYS  70   9.924   8.679  11.177
  569    H    ASP  71           H        ASP  71   5.502   3.261  13.176
  570    HA   ASP  71           HA       ASP  71   5.108   2.614  16.021
  571    HB2  ASP  71           HB2      ASP  71   4.222   1.257  14.037
  572    HB3  ASP  71           HB3      ASP  71   5.887   0.838  13.705
  573    HA   PRO  72           HA       PRO  72   9.536   2.658  16.959
  574    HB2  PRO  72           HB2      PRO  72   8.863   0.317  18.745
  575    HB3  PRO  72           HB3      PRO  72   9.824   1.781  19.117
  576    HG2  PRO  72           HG2      PRO  72   7.267   1.564  19.978
  577    HG3  PRO  72           HG3      PRO  72   7.852   3.118  19.288
  578    HD2  PRO  72           HD2      PRO  72   6.218   0.955  17.945
  579    HD3  PRO  72           HD3      PRO  72   6.004   2.733  17.910
  580    H    GLU  73           H        GLU  73   7.947  -0.446  16.148
  581    HA   GLU  73           HA       GLU  73  10.555  -1.657  15.298
  582    HB2  GLU  73           HB2      GLU  73   7.831  -2.788  16.054
  583    HB3  GLU  73           HB3      GLU  73   9.035  -3.752  15.222
  584    HG2  GLU  73           HG2      GLU  73   9.459  -2.380  17.910
  585    HG3  GLU  73           HG3      GLU  73   9.014  -4.068  17.667
  586    H    MET  74           H        MET  74   7.169  -1.202  14.222
  587    HA   MET  74           HA       MET  74   7.803  -2.174  11.528
  588    HB2  MET  74           HB2      MET  74   5.241  -1.028  12.713
  589    HB3  MET  74           HB3      MET  74   5.394  -1.607  11.065
  590    HG2  MET  74           HG2      MET  74   6.123  -3.833  11.936
  591    HG3  MET  74           HG3      MET  74   5.854  -3.249  13.583
  592    HE1  MET  74           HE1      MET  74   4.680  -5.886  12.275
  593    HE2  MET  74           HE2      MET  74   4.346  -5.434  13.961
  594    HE3  MET  74           HE3      MET  74   3.013  -5.893  12.876
  595    H    GLY  75           H        GLY  75   8.005   0.949  12.953
  596    HA2  GLY  75           HA2      GLY  75   8.843   2.920  12.017
  597    HA3  GLY  75           HA3      GLY  75   8.827   2.159  10.412
  598    H    GLU  76           H        GLU  76   8.105   4.496   9.999
  599    HA   GLU  76           HA       GLU  76   5.368   5.146  10.338
  600    HB2  GLU  76           HB2      GLU  76   7.480   6.525   9.598
  601    HB3  GLU  76           HB3      GLU  76   6.992   6.069   7.967
  602    HG2  GLU  76           HG2      GLU  76   4.802   7.073   8.342
  603    HG3  GLU  76           HG3      GLU  76   5.176   7.369  10.045
  604    H    ILE  77           H        ILE  77   3.690   4.074   9.630
  605    HA   ILE  77           HA       ILE  77   3.725   2.593   7.049
  606    HB   ILE  77           HB       ILE  77   2.395   0.798   8.194
  607   HG12  ILE  77          HG12      ILE  77   3.298   2.086  10.808
  608   HG13  ILE  77          HG13      ILE  77   1.644   2.072  10.186
  609   HG21  ILE  77          HG21      ILE  77   4.861   0.658   7.716
  610   HG22  ILE  77          HG22      ILE  77   5.144   1.037   9.422
  611   HG23  ILE  77          HG23      ILE  77   4.245  -0.433   8.956
  612   HD11  ILE  77          HD11      ILE  77   1.835   0.377  11.862
  613   HD12  ILE  77          HD12      ILE  77   1.672  -0.431  10.291
  614   HD13  ILE  77          HD13      ILE  77   3.258  -0.335  11.091
  615    H    ILE  78           H        ILE  78   1.806   2.254   6.026
  616    HA   ILE  78           HA       ILE  78  -0.573   3.846   6.922
  617    HB   ILE  78           HB       ILE  78   0.100   2.521   4.274
  618   HG12  ILE  78          HG12      ILE  78  -0.447   5.467   4.784
  619   HG13  ILE  78          HG13      ILE  78   1.179   4.796   4.922
  620   HG21  ILE  78          HG21      ILE  78  -2.265   2.205   4.583
  621   HG22  ILE  78          HG22      ILE  78  -2.474   3.860   5.179
  622   HG23  ILE  78          HG23      ILE  78  -2.086   3.548   3.475
  623   HD11  ILE  78          HD11      ILE  78   1.095   3.972   2.612
  624   HD12  ILE  78          HD12      ILE  78  -0.534   4.667   2.420
  625   HD13  ILE  78          HD13      ILE  78   0.847   5.728   2.697
  626    H    GLN  79           H        GLN  79  -2.269   2.828   7.736
  627    HA   GLN  79           HA       GLN  79  -2.486  -0.151   7.681
  628    HB2  GLN  79           HB2      GLN  79  -3.866   1.972   9.375
  629    HB3  GLN  79           HB3      GLN  79  -4.250   0.249   9.411
  630    HG2  GLN  79           HG2      GLN  79  -1.962  -0.251  10.204
  631    HG3  GLN  79           HG3      GLN  79  -1.571   1.473  10.215
  632   HE21  GLN  79          HE21      GLN  79  -1.427  -0.224  12.557
  633   HE22  GLN  79          HE22      GLN  79  -2.654   0.362  13.667
  634    H    LEU  80           H        LEU  80  -4.174  -1.016   6.507
  635    HA   LEU  80           HA       LEU  80  -6.398   0.736   5.590
  636    HB2  LEU  80           HB2      LEU  80  -4.422  -0.133   3.903
  637    HB3  LEU  80           HB3      LEU  80  -5.441  -1.572   3.915
  638    HG   LEU  80           HG       LEU  80  -7.362  -0.208   3.122
  639   HD11  LEU  80          HD11      LEU  80  -5.228   1.983   2.871
  640   HD12  LEU  80          HD12      LEU  80  -6.663   2.053   3.903
  641   HD13  LEU  80          HD13      LEU  80  -6.847   2.059   2.147
  642   HD21  LEU  80          HD21      LEU  80  -4.795  -0.141   1.472
  643   HD22  LEU  80          HD22      LEU  80  -6.430   0.047   0.790
  644   HD23  LEU  80          HD23      LEU  80  -5.941  -1.474   1.551
  645    H    GLN  81           H        GLN  81  -8.442  -0.210   5.920
  646    HA   GLN  81           HA       GLN  81  -8.545  -2.580   7.612
  647    HB2  GLN  81           HB2      GLN  81 -10.732  -0.888   6.338
  648    HB3  GLN  81           HB3      GLN  81 -11.036  -2.288   7.369
  649    HG2  GLN  81           HG2      GLN  81  -9.686  -1.189   9.201
  650    HG3  GLN  81           HG3      GLN  81  -9.553   0.247   8.183
  651   HE21  GLN  81          HE21      GLN  81 -10.811   1.720   9.424
  652   HE22  GLN  81          HE22      GLN  81 -12.497   1.413   9.803
  653    H    GLY  82           H        GLY  82  -9.096  -4.610   7.207
  654    HA2  GLY  82           HA2      GLY  82  -9.905  -6.482   6.014
  655    HA3  GLY  82           HA3      GLY  82  -9.934  -5.551   4.513
  656    H    ASP  83           H        ASP  83  -8.969  -7.767   3.982
  657    HA   ASP  83           HA       ASP  83  -6.019  -7.891   4.260
  658    HB2  ASP  83           HB2      ASP  83  -6.246 -10.155   3.443
  659    HB3  ASP  83           HB3      ASP  83  -7.227  -9.886   4.874
  660    H    GLN  84           H        GLN  84  -5.677  -6.042   2.923
  661    HA   GLN  84           HA       GLN  84  -6.510  -6.182   0.076
  662    HB2  GLN  84           HB2      GLN  84  -5.367  -3.793   1.524
  663    HB3  GLN  84           HB3      GLN  84  -6.348  -3.815   0.063
  664    HG2  GLN  84           HG2      GLN  84  -7.270  -4.328   2.924
  665    HG3  GLN  84           HG3      GLN  84  -7.619  -2.933   1.938
  666   HE21  GLN  84          HE21      GLN  84  -9.760  -3.825   2.977
  667   HE22  GLN  84          HE22      GLN  84 -10.732  -4.786   1.853
  668    H    ARG  85           H        ARG  85  -4.054  -7.548   1.347
  669    HA   ARG  85           HA       ARG  85  -1.811  -6.143   0.599
  670    HB2  ARG  85           HB2      ARG  85  -0.537  -8.198   0.911
  671    HB3  ARG  85           HB3      ARG  85  -1.738  -7.954   2.172
  672    HG2  ARG  85           HG2      ARG  85  -3.258  -9.591   1.047
  673    HG3  ARG  85           HG3      ARG  85  -2.013  -9.874  -0.186
  674    HD2  ARG  85           HD2      ARG  85  -0.465 -10.686   1.537
  675    HD3  ARG  85           HD3      ARG  85  -1.654 -10.377   2.796
  676    HE   ARG  85           HE       ARG  85  -2.987 -12.002   0.985
  677   HH11  ARG  85          HH11      ARG  85  -0.050 -12.375   2.894
  678   HH12  ARG  85          HH12      ARG  85  -0.157 -14.120   2.896
  679   HH21  ARG  85          HH21      ARG  85  -3.102 -14.242   1.051
  680   HH22  ARG  85          HH22      ARG  85  -1.885 -15.154   1.889
  681    H    ALA  86           H        ALA  86  -3.536  -8.458  -1.461
  682    HA   ALA  86           HA       ALA  86  -1.714  -8.224  -3.722
  683    HB1  ALA  86           HB1      ALA  86  -3.515  -9.467  -4.883
  684    HB2  ALA  86           HB2      ALA  86  -3.140 -10.202  -3.313
  685    HB3  ALA  86           HB3      ALA  86  -4.601  -9.206  -3.501
  686    H    LYS  87           H        LYS  87  -4.744  -6.597  -2.769
  687    HA   LYS  87           HA       LYS  87  -5.141  -5.120  -5.208
  688    HB2  LYS  87           HB2      LYS  87  -6.047  -4.532  -2.352
  689    HB3  LYS  87           HB3      LYS  87  -6.668  -3.755  -3.801
  690    HG2  LYS  87           HG2      LYS  87  -7.469  -5.992  -4.634
  691    HG3  LYS  87           HG3      LYS  87  -6.920  -6.705  -3.100
  692    HD2  LYS  87           HD2      LYS  87  -8.357  -4.912  -1.944
  693    HD3  LYS  87           HD3      LYS  87  -9.105  -4.623  -3.519
  694    HE2  LYS  87           HE2      LYS  87  -9.946  -6.887  -3.636
  695    HE3  LYS  87           HE3      LYS  87  -8.914  -7.406  -2.294
  696    HZ1  LYS  87           HZ1      LYS  87 -10.164  -5.974  -0.819
  697    HZ2  LYS  87           HZ2      LYS  87 -11.167  -7.068  -1.526
  698    HZ3  LYS  87           HZ3      LYS  87 -11.172  -5.509  -2.032
  699    H    VAL  88           H        VAL  88  -3.557  -4.221  -2.122
  700    HA   VAL  88           HA       VAL  88  -2.728  -1.620  -3.076
  701    HB   VAL  88           HB       VAL  88  -1.652  -3.297  -0.780
  702   HG11  VAL  88          HG11      VAL  88   0.088  -1.667  -1.414
  703   HG12  VAL  88          HG12      VAL  88  -1.120  -0.364  -1.463
  704   HG13  VAL  88          HG13      VAL  88  -0.701  -1.154   0.071
  705   HG21  VAL  88          HG21      VAL  88  -3.541  -0.896  -0.837
  706   HG22  VAL  88          HG22      VAL  88  -4.030  -2.569  -0.527
  707   HG23  VAL  88          HG23      VAL  88  -2.974  -1.742   0.621
  708    H    CYS  89           H        CYS  89  -1.106  -4.858  -3.204
  709    HA   CYS  89           HA       CYS  89   1.353  -3.977  -4.335
  710    HB2  CYS  89           HB2      CYS  89   0.853  -6.278  -3.546
  711    HB3  CYS  89           HB3      CYS  89  -0.245  -6.517  -4.915
  712    HG   CYS  89           HG       CYS  89   1.966  -7.784  -5.465
  713    H    GLU  90           H        GLU  90  -1.686  -4.885  -6.036
  714    HA   GLU  90           HA       GLU  90  -0.882  -4.147  -8.625
  715    HB2  GLU  90           HB2      GLU  90  -2.912  -5.454  -7.957
  716    HB3  GLU  90           HB3      GLU  90  -3.692  -3.942  -7.469
  717    HG2  GLU  90           HG2      GLU  90  -3.511  -3.082  -9.763
  718    HG3  GLU  90           HG3      GLU  90  -2.602  -4.521 -10.249
  719    H    PHE  91           H        PHE  91  -2.268  -2.000  -6.040
  720    HA   PHE  91           HA       PHE  91  -2.498   0.354  -7.641
  721    HB2  PHE  91           HB2      PHE  91  -3.539   0.307  -5.476
  722    HB3  PHE  91           HB3      PHE  91  -2.047  -0.125  -4.673
  723    HD1  PHE  91           HD1      PHE  91  -3.666   2.626  -6.610
  724    HD2  PHE  91           HD2      PHE  91  -0.537   1.513  -3.871
  725    HE1  PHE  91           HE1      PHE  91  -3.015   5.009  -6.384
  726    HE2  PHE  91           HE2      PHE  91   0.070   3.905  -3.588
  727    HZ   PHE  91           HZ       PHE  91  -1.174   5.663  -4.857
  728    H    MET  92           H        MET  92   0.222  -0.818  -5.627
  729    HA   MET  92           HA       MET  92   2.003   1.363  -6.081
  730    HB2  MET  92           HB2      MET  92   2.518  -1.564  -5.453
  731    HB3  MET  92           HB3      MET  92   3.750  -0.315  -5.340
  732    HG2  MET  92           HG2      MET  92   1.146  -0.119  -3.803
  733    HG3  MET  92           HG3      MET  92   2.488  -1.068  -3.198
  734    HE1  MET  92           HE1      MET  92   0.692   1.592  -2.086
  735    HE2  MET  92           HE2      MET  92   1.649   0.451  -1.120
  736    HE3  MET  92           HE3      MET  92   1.958   2.198  -1.005
  737    H    ILE  93           H        ILE  93   1.488  -1.648  -7.937
  738    HA   ILE  93           HA       ILE  93   3.658  -1.120  -9.822
  739    HB   ILE  93           HB       ILE  93   1.295  -3.034  -9.972
  740   HG12  ILE  93          HG12      ILE  93   4.209  -3.703  -9.343
  741   HG13  ILE  93          HG13      ILE  93   3.038  -3.357  -8.085
  742   HG21  ILE  93          HG21      ILE  93   2.232  -2.575 -12.238
  743   HG22  ILE  93          HG22      ILE  93   3.862  -2.970 -11.638
  744   HG23  ILE  93          HG23      ILE  93   2.605  -4.214 -11.728
  745   HD11  ILE  93          HD11      ILE  93   3.189  -5.734  -8.323
  746   HD12  ILE  93          HD12      ILE  93   1.590  -5.216  -8.877
  747   HD13  ILE  93          HD13      ILE  93   2.847  -5.660 -10.056
  748    H    SER  94           H        SER  94   0.072  -0.884 -10.117
  749    HA   SER  94           HA       SER  94   0.306   0.116 -12.822
  750    HB2  SER  94           HB2      SER  94  -2.029  -0.231 -10.922
  751    HB3  SER  94           HB3      SER  94  -2.192   0.268 -12.619
  752    HG   SER  94           HG       SER  94  -2.430  -2.012 -12.374
  753    H    GLN  95           H        GLN  95  -0.223   1.819  -9.715
  754    HA   GLN  95           HA       GLN  95  -0.905   4.308 -11.234
  755    HB2  GLN  95           HB2      GLN  95  -1.199   3.712  -8.272
  756    HB3  GLN  95           HB3      GLN  95  -1.746   5.155  -9.112
  757    HG2  GLN  95           HG2      GLN  95  -2.816   2.326  -9.483
  758    HG3  GLN  95           HG3      GLN  95  -3.637   3.670  -8.703
  759   HE21  GLN  95          HE21      GLN  95  -4.571   2.051 -11.030
  760   HE22  GLN  95          HE22      GLN  95  -4.812   3.230 -12.309
  761    H    LEU  96           H        LEU  96   1.422   3.175  -8.697
  762    HA   LEU  96           HA       LEU  96   2.815   5.775  -8.827
  763    HB2  LEU  96           HB2      LEU  96   3.775   3.241  -7.454
  764    HB3  LEU  96           HB3      LEU  96   4.330   4.875  -7.209
  765    HG   LEU  96           HG       LEU  96   1.595   3.806  -6.404
  766   HD11  LEU  96          HD11      LEU  96   3.504   3.110  -5.001
  767   HD12  LEU  96          HD12      LEU  96   2.415   4.194  -4.124
  768   HD13  LEU  96          HD13      LEU  96   3.960   4.806  -4.754
  769   HD21  LEU  96          HD21      LEU  96   1.299   6.148  -7.062
  770   HD22  LEU  96          HD22      LEU  96   2.737   6.627  -6.134
  771   HD23  LEU  96          HD23      LEU  96   1.286   6.038  -5.299
  772    H    GLY  97           H        GLY  97   2.992   2.767 -10.528
  773    HA2  GLY  97           HA2      GLY  97   4.234   2.266 -12.430
  774    HA3  GLY  97           HA3      GLY  97   5.194   3.751 -12.207
  775    H    LEU  98           H        LEU  98   4.916   1.566  -9.472
  776    HA   LEU  98           HA       LEU  98   7.774   1.040  -9.484
  777    HB2  LEU  98           HB2      LEU  98   5.494   0.030  -7.755
  778    HB3  LEU  98           HB3      LEU  98   7.156  -0.448  -7.501
  779    HG   LEU  98           HG       LEU  98   6.428   2.507  -7.563
  780   HD11  LEU  98          HD11      LEU  98   6.249   0.626  -5.183
  781   HD12  LEU  98          HD12      LEU  98   4.941   1.560  -5.923
  782   HD13  LEU  98          HD13      LEU  98   6.247   2.404  -5.081
  783   HD21  LEU  98          HD21      LEU  98   8.829   1.923  -7.679
  784   HD22  LEU  98          HD22      LEU  98   8.669   0.911  -6.228
  785   HD23  LEU  98          HD23      LEU  98   8.448   2.666  -6.122
  786    H    GLN  99           H        GLN  99   8.695  -1.185  -9.464
  787    HA   GLN  99           HA       GLN  99   7.391  -2.919 -11.521
  788    HB2  GLN  99           HB2      GLN  99  10.163  -3.018 -10.262
  789    HB3  GLN  99           HB3      GLN  99   9.535  -4.149 -11.468
  790    HG2  GLN  99           HG2      GLN  99   9.355  -2.369 -13.133
  791    HG3  GLN  99           HG3      GLN  99   9.861  -1.158 -11.951
  792   HE21  GLN  99          HE21      GLN  99  12.113  -0.881 -11.544
  793   HE22  GLN  99          HE22      GLN  99  13.325  -1.858 -12.360
  794    H    LYS 100           H        LYS 100   6.771  -5.065 -11.037
  795    HA   LYS 100           HA       LYS 100   5.681  -5.601  -8.512
  796    HB2  LYS 100           HB2      LYS 100   5.040  -6.628 -10.614
  797    HB3  LYS 100           HB3      LYS 100   6.523  -7.602 -10.610
  798    HG2  LYS 100           HG2      LYS 100   5.850  -8.792  -8.633
  799    HG3  LYS 100           HG3      LYS 100   4.550  -7.637  -8.266
  800    HD2  LYS 100           HD2      LYS 100   3.288  -8.316 -10.215
  801    HD3  LYS 100           HD3      LYS 100   4.657  -9.285 -10.787
  802    HE2  LYS 100           HE2      LYS 100   4.434 -10.762  -8.781
  803    HE3  LYS 100           HE3      LYS 100   3.075  -9.783  -8.213
  804    HZ1  LYS 100           HZ1      LYS 100   3.114 -11.344 -10.740
  805    HZ2  LYS 100           HZ2      LYS 100   1.854 -10.441 -10.216
  806    HZ3  LYS 100           HZ3      LYS 100   2.314 -11.768  -9.380
  807    H    LYS 101           H        LYS 101   8.884  -6.457  -9.735
  808    HA   LYS 101           HA       LYS 101   9.851  -8.105  -7.644
  809    HB2  LYS 101           HB2      LYS 101  12.006  -7.734  -8.599
  810    HB3  LYS 101           HB3      LYS 101  10.820  -7.839  -9.897
  811    HG2  LYS 101           HG2      LYS 101  10.782  -5.253  -9.865
  812    HG3  LYS 101           HG3      LYS 101  12.164  -5.335  -8.776
  813    HD2  LYS 101           HD2      LYS 101  12.959  -4.951 -10.991
  814    HD3  LYS 101           HD3      LYS 101  13.429  -6.596 -10.516
  815    HE2  LYS 101           HE2      LYS 101  11.779  -7.596 -11.926
  816    HE3  LYS 101           HE3      LYS 101  10.876  -6.083 -12.091
  817    HZ1  LYS 101           HZ1      LYS 101  12.604  -5.177 -13.431
  818    HZ2  LYS 101           HZ2      LYS 101  12.191  -6.620 -14.077
  819    HZ3  LYS 101           HZ3      LYS 101  13.583  -6.488 -13.225
  820    H    ASN 102           H        ASN 102   9.300  -4.645  -7.488
  821    HA   ASN 102           HA       ASN 102  11.172  -4.197  -5.267
  822    HB2  ASN 102           HB2      ASN 102   8.856  -2.459  -6.224
  823    HB3  ASN 102           HB3      ASN 102  10.179  -1.986  -5.161
  824   HD21  ASN 102          HD21      ASN 102  12.476  -2.873  -6.481
  825   HD22  ASN 102          HD22      ASN 102  12.566  -2.047  -8.023
  826    H    ILE 103           H        ILE 103   8.135  -5.766  -5.424
  827    HA   ILE 103           HA       ILE 103   7.281  -4.773  -2.730
  828    HB   ILE 103           HB       ILE 103   5.619  -6.057  -4.924
  829   HG12  ILE 103          HG12      ILE 103   5.748  -3.109  -4.120
  830   HG13  ILE 103          HG13      ILE 103   6.526  -3.770  -5.558
  831   HG21  ILE 103          HG21      ILE 103   3.700  -5.268  -3.529
  832   HG22  ILE 103          HG22      ILE 103   4.697  -6.406  -2.649
  833   HG23  ILE 103          HG23      ILE 103   4.837  -4.667  -2.312
  834   HD11  ILE 103          HD11      ILE 103   4.320  -4.530  -6.397
  835   HD12  ILE 103          HD12      ILE 103   3.553  -3.651  -5.050
  836   HD13  ILE 103          HD13      ILE 103   4.510  -2.771  -6.255
  837    H    LYS 104           H        LYS 104   7.119  -6.060  -1.080
  838    HA   LYS 104           HA       LYS 104   7.305  -9.038  -1.385
  839    HB2  LYS 104           HB2      LYS 104   7.870  -7.276   1.028
  840    HB3  LYS 104           HB3      LYS 104   7.989  -9.034   0.977
  841    HG2  LYS 104           HG2      LYS 104   9.776  -7.075  -0.521
  842    HG3  LYS 104           HG3      LYS 104  10.168  -7.960   0.953
  843    HD2  LYS 104           HD2      LYS 104   9.789 -10.122  -0.349
  844    HD3  LYS 104           HD3      LYS 104   9.742  -9.121  -1.821
  845    HE2  LYS 104           HE2      LYS 104  11.992  -8.198  -1.222
  846    HE3  LYS 104           HE3      LYS 104  12.015  -9.211   0.225
  847    HZ1  LYS 104           HZ1      LYS 104  11.924 -10.241  -2.563
  848    HZ2  LYS 104           HZ2      LYS 104  11.957 -11.170  -1.216
  849    HZ3  LYS 104           HZ3      LYS 104  13.244 -10.241  -1.598
  850    H    ILE 105           H        ILE 105   5.455 -10.104  -1.007
  851    HA   ILE 105           HA       ILE 105   3.204  -8.783   0.492
  852    HB   ILE 105           HB       ILE 105   3.185 -11.131  -1.456
  853   HG12  ILE 105          HG12      ILE 105   2.112  -8.275  -1.706
  854   HG13  ILE 105          HG13      ILE 105   3.491  -8.945  -2.577
  855   HG21  ILE 105          HG21      ILE 105   1.505 -11.385   0.378
  856   HG22  ILE 105          HG22      ILE 105   0.873  -9.769  -0.017
  857   HG23  ILE 105          HG23      ILE 105   0.736 -11.113  -1.172
  858   HD11  ILE 105          HD11      ILE 105   1.657  -8.932  -4.091
  859   HD12  ILE 105          HD12      ILE 105   1.934 -10.624  -3.646
  860   HD13  ILE 105          HD13      ILE 105   0.575  -9.712  -2.939
  861    H    HIS 106           H        HIS 106   2.878  -9.405   2.500
  862    HA   HIS 106           HA       HIS 106   3.948 -12.040   3.465
  863    HB2  HIS 106           HB2      HIS 106   3.679  -9.453   5.015
  864    HB3  HIS 106           HB3      HIS 106   4.394 -10.950   5.587
  865    HD2  HIS 106           HD2      HIS 106   5.193  -7.800   3.626
  866    HE1  HIS 106           HE1      HIS 106   8.804 -10.045   3.786
  867    HE2  HIS 106           HE2      HIS 106   7.802  -7.775   3.243
  868    H    GLY 107           H        GLY 107   2.843 -12.708   5.577
  869    HA2  GLY 107           HA2      GLY 107  -0.152 -12.490   5.365
  870    HA3  GLY 107           HA3      GLY 107   0.757 -13.812   6.113
  871    H    PHE 108           H        PHE 108  -0.219 -13.716   8.057
  872    HA   PHE 108           HA       PHE 108   0.598 -11.566   9.914
  873    HB2  PHE 108           HB2      PHE 108  -1.579 -11.473  10.968
  874    HB3  PHE 108           HB3      PHE 108  -1.654 -10.946   9.311
  875    HD1  PHE 108           HD2      PHE 108  -2.803 -12.324   7.565
  876    HD2  PHE 108           HD1      PHE 108  -2.840 -13.417  11.737
  877    HE1  PHE 108           HE2      PHE 108  -4.739 -13.819   7.155
  878    HE2  PHE 108           HE1      PHE 108  -4.770 -14.922  11.322
  879    HZ   PHE 108           HZ       PHE 108  -5.726 -15.125   9.026
  Start of MODEL   13
    1    H1   MET   1           H        MET   1  -9.649  -5.677 -33.348
    2    H2   MET   1           H2       MET   1  -9.369  -7.293 -33.371
    3    H3   MET   1           H3       MET   1  -8.305  -6.282 -34.032
    4    HA   MET   1           HA       MET   1  -7.683  -5.338 -31.918
    5    HB2  MET   1           HB2      MET   1  -8.609  -6.204 -29.810
    6    HB3  MET   1           HB3      MET   1  -9.772  -5.370 -30.810
    7    HG2  MET   1           HG2      MET   1 -10.834  -7.259 -29.797
    8    HG3  MET   1           HG3      MET   1 -10.781  -7.497 -31.522
    9    HE1  MET   1           HE1      MET   1  -9.736  -8.701 -28.007
   10    HE2  MET   1           HE2      MET   1  -8.468  -9.901 -28.315
   11    HE3  MET   1           HE3      MET   1  -8.133  -8.178 -28.573
   12    H    SER   2           H        SER   2  -6.394  -6.502 -30.096
   13    HA   SER   2           HA       SER   2  -5.266  -9.112 -31.012
   14    HB2  SER   2           HB2      SER   2  -3.644  -6.614 -30.370
   15    HB3  SER   2           HB3      SER   2  -2.986  -8.230 -30.676
   16    HG   SER   2           HG       SER   2  -2.918  -6.885 -32.553
   17    H    ILE   3           H        ILE   3  -4.112 -10.265 -29.358
   18    HA   ILE   3           HA       ILE   3  -4.021  -9.337 -26.613
   19    HB   ILE   3           HB       ILE   3  -6.417  -9.905 -26.848
   20   HG12  ILE   3          HG12      ILE   3  -5.016 -11.880 -25.012
   21   HG13  ILE   3          HG13      ILE   3  -5.151 -10.146 -24.695
   22   HG21  ILE   3          HG21      ILE   3  -5.545 -12.789 -27.317
   23   HG22  ILE   3          HG22      ILE   3  -7.206 -12.175 -27.204
   24   HG23  ILE   3          HG23      ILE   3  -6.198 -11.711 -28.571
   25   HD11  ILE   3          HD11      ILE   3  -7.643 -10.349 -24.753
   26   HD12  ILE   3          HD12      ILE   3  -7.464 -12.113 -24.930
   27   HD13  ILE   3          HD13      ILE   3  -6.876 -11.305 -23.470
   28    H    GLU   4           H        GLU   4  -2.819 -10.758 -25.244
   29    HA   GLU   4           HA       GLU   4  -1.313 -12.960 -26.572
   30    HB2  GLU   4           HB2      GLU   4  -0.174 -10.583 -25.045
   31    HB3  GLU   4           HB3      GLU   4   0.750 -12.031 -25.410
   32    HG2  GLU   4           HG2      GLU   4  -0.458 -10.142 -27.473
   33    HG3  GLU   4           HG3      GLU   4   1.226 -10.184 -26.968
   34    H    ASN   5           H        ASN   5  -0.159 -14.320 -25.048
   35    HA   ASN   5           HA       ASN   5  -0.900 -14.341 -22.225
   36    HB2  ASN   5           HB2      ASN   5  -2.916 -15.306 -23.311
   37    HB3  ASN   5           HB3      ASN   5  -1.910 -16.503 -24.129
   38   HD21  ASN   5          HD21      ASN   5  -2.726 -15.304 -20.801
   39   HD22  ASN   5          HD22      ASN   5  -2.586 -16.888 -20.059
   40    H    LEU   6           H        LEU   6   0.266 -15.978 -21.010
   41    HA   LEU   6           HA       LEU   6   2.397 -17.499 -22.332
   42    HB2  LEU   6           HB2      LEU   6   4.211 -16.445 -21.032
   43    HB3  LEU   6           HB3      LEU   6   3.467 -15.388 -22.208
   44    HG   LEU   6           HG       LEU   6   2.201 -14.240 -20.362
   45   HD11  LEU   6          HD11      LEU   6   3.950 -15.976 -18.557
   46   HD12  LEU   6          HD12      LEU   6   2.172 -15.863 -18.550
   47   HD13  LEU   6          HD13      LEU   6   3.134 -14.489 -18.029
   48   HD21  LEU   6          HD21      LEU   6   4.163 -12.979 -19.578
   49   HD22  LEU   6          HD22      LEU   6   4.303 -13.356 -21.301
   50   HD23  LEU   6          HD23      LEU   6   5.238 -14.290 -20.112
   51    H    LYS   7           H        LYS   7   3.763 -18.691 -20.688
   52    HA   LYS   7           HA       LYS   7   1.964 -20.153 -18.904
   53    HB2  LYS   7           HB2      LYS   7   3.648 -21.229 -20.380
   54    HB3  LYS   7           HB3      LYS   7   4.945 -20.491 -19.427
   55    HG2  LYS   7           HG2      LYS   7   4.028 -21.675 -17.386
   56    HG3  LYS   7           HG3      LYS   7   2.846 -22.479 -18.424
   57    HD2  LYS   7           HD2      LYS   7   5.883 -22.704 -18.648
   58    HD3  LYS   7           HD3      LYS   7   4.811 -23.895 -17.899
   59    HE2  LYS   7           HE2      LYS   7   3.646 -24.220 -20.080
   60    HE3  LYS   7           HE3      LYS   7   4.744 -23.056 -20.835
   61    HZ1  LYS   7           HZ1      LYS   7   5.489 -25.328 -21.197
   62    HZ2  LYS   7           HZ2      LYS   7   5.577 -25.619 -19.592
   63    HZ3  LYS   7           HZ3      LYS   7   6.592 -24.539 -20.287
   64    H    SER   8           H        SER   8   1.363 -18.848 -17.194
   65    HA   SER   8           HA       SER   8   3.329 -17.502 -15.479
   66    HB2  SER   8           HB2      SER   8   1.266 -16.945 -14.173
   67    HB3  SER   8           HB3      SER   8   1.223 -16.437 -15.868
   68    HG   SER   8           HG       SER   8  -0.747 -17.462 -15.190
   69    H    PHE   9           H        PHE   9   1.996 -20.694 -15.589
   70    HA   PHE   9           HA       PHE   9   2.270 -21.221 -12.711
   71    HB2  PHE   9           HB2      PHE   9   1.483 -23.030 -15.026
   72    HB3  PHE   9           HB3      PHE   9   1.381 -23.438 -13.322
   73    HD1  PHE   9           HD1      PHE   9  -0.174 -22.081 -11.799
   74    HD2  PHE   9           HD2      PHE   9  -0.324 -21.867 -16.105
   75    HE1  PHE   9           HE1      PHE   9  -2.473 -21.148 -11.677
   76    HE2  PHE   9           HE2      PHE   9  -2.619 -20.932 -15.977
   77    HZ   PHE   9           HZ       PHE   9  -3.699 -20.573 -13.765
   78    H    ASP  10           H        ASP  10   3.555 -22.838 -11.811
   79    HA   ASP  10           HA       ASP  10   5.592 -24.237 -13.413
   80    HB2  ASP  10           HB2      ASP  10   6.234 -22.449 -11.030
   81    HB3  ASP  10           HB3      ASP  10   7.290 -23.751 -11.558
   82    HA   PRO  11           HA       PRO  11   4.158 -27.395 -10.624
   83    HB2  PRO  11           HB2      PRO  11   5.945 -29.399 -11.031
   84    HB3  PRO  11           HB3      PRO  11   4.847 -28.827 -12.321
   85    HG2  PRO  11           HG2      PRO  11   7.744 -28.027 -11.869
   86    HG3  PRO  11           HG3      PRO  11   6.974 -28.580 -13.389
   87    HD2  PRO  11           HD2      PRO  11   7.298 -25.927 -12.798
   88    HD3  PRO  11           HD3      PRO  11   5.869 -26.528 -13.692
   89    H    PHE  12           H        PHE  12   7.487 -26.218 -10.254
   90    HA   PHE  12           HA       PHE  12   7.563 -26.018  -7.471
   91    HB2  PHE  12           HB2      PHE  12   9.231 -27.782  -6.953
   92    HB3  PHE  12           HB3      PHE  12   7.671 -28.442  -7.345
   93    HD1  PHE  12           HD1      PHE  12  11.130 -27.902  -8.660
   94    HD2  PHE  12           HD2      PHE  12   7.382 -29.971  -9.183
   95    HE1  PHE  12           HE1      PHE  12  12.171 -29.362 -10.372
   96    HE2  PHE  12           HE2      PHE  12   8.428 -31.428 -10.898
   97    HZ   PHE  12           HZ       PHE  12  10.823 -31.125 -11.498
   98    H    ALA  13           H        ALA  13   9.802 -25.522  -6.793
   99    HA   ALA  13           HA       ALA  13  11.820 -24.902  -8.824
  100    HB1  ALA  13           HB1      ALA  13  12.048 -22.534  -8.130
  101    HB2  ALA  13           HB2      ALA  13  10.447 -22.840  -8.827
  102    HB3  ALA  13           HB3      ALA  13  10.638 -22.701  -7.065
  103    H    ASP  14           H        ASP  14  13.904 -24.801  -7.998
  104    HA   ASP  14           HA       ASP  14  14.335 -26.069  -5.401
  105    HB2  ASP  14           HB2      ASP  14  15.581 -26.644  -7.471
  106    HB3  ASP  14           HB3      ASP  14  16.278 -25.024  -7.498
  107    H    THR  15           H        THR  15  14.509 -22.792  -6.639
  108    HA   THR  15           HA       THR  15  16.140 -21.738  -4.435
  109    HB   THR  15           HB       THR  15  15.731 -19.543  -5.641
  110    HG1  THR  15           HG1      THR  15  13.829 -20.113  -6.731
  111   HG21  THR  15          HG21      THR  15  17.224 -20.069  -7.510
  112   HG22  THR  15          HG22      THR  15  16.912 -21.807  -7.315
  113   HG23  THR  15          HG23      THR  15  17.761 -20.902  -6.041
  114    H    GLY  16           H        GLY  16  15.530 -20.182  -2.984
  115    HA2  GLY  16           HA2      GLY  16  12.669 -20.073  -2.158
  116    HA3  GLY  16           HA3      GLY  16  14.081 -19.516  -1.237
  117    H    ASP  17           H        ASP  17  12.755 -17.629  -0.856
  118    HA   ASP  17           HA       ASP  17  12.129 -15.724  -2.943
  119    HB2  ASP  17           HB2      ASP  17  10.944 -15.782  -0.798
  120    HB3  ASP  17           HB3      ASP  17  12.438 -15.410   0.066
  121    H    ASP  18           H        ASP  18  13.281 -14.021  -3.731
  122    HA   ASP  18           HA       ASP  18  16.187 -14.064  -3.418
  123    HB2  ASP  18           HB2      ASP  18  15.094 -13.834  -5.619
  124    HB3  ASP  18           HB3      ASP  18  14.375 -12.304  -5.110
  125    H    GLU  19           H        GLU  19  17.482 -12.600  -2.413
  126    HA   GLU  19           HA       GLU  19  16.374 -10.130  -1.204
  127    HB2  GLU  19           HB2      GLU  19  17.758 -12.345   0.378
  128    HB3  GLU  19           HB3      GLU  19  17.443 -10.713   0.973
  129    HG2  GLU  19           HG2      GLU  19  14.986 -11.096   0.657
  130    HG3  GLU  19           HG3      GLU  19  15.337 -12.774   0.211
  131    H    THR  20           H        THR  20  17.906  -8.577  -0.740
  132    HA   THR  20           HA       THR  20  20.779  -9.072  -1.164
  133    HB   THR  20           HB       THR  20  19.702  -8.642  -3.402
  134    HG1  THR  20           HG1      THR  20  21.881  -8.354  -3.126
  135   HG21  THR  20          HG21      THR  20  18.119  -6.843  -2.767
  136   HG22  THR  20          HG22      THR  20  19.210  -6.363  -4.071
  137   HG23  THR  20          HG23      THR  20  19.491  -5.762  -2.430
  138    H    ALA  21           H        ALA  21  18.793  -8.077   0.958
  139    HA   ALA  21           HA       ALA  21  18.814  -6.810   2.802
  140    HB1  ALA  21           HB1      ALA  21  20.984  -6.344   3.765
  141    HB2  ALA  21           HB2      ALA  21  21.062  -7.883   2.892
  142    HB3  ALA  21           HB3      ALA  21  21.770  -6.414   2.180
  143    H    THR  22           H        THR  22  18.690  -5.239   0.038
  144    HA   THR  22           HA       THR  22  19.422  -2.537   0.765
  145    HB   THR  22           HB       THR  22  19.392  -3.375  -1.568
  146    HG1  THR  22           HG1      THR  22  19.399  -1.230  -1.322
  147   HG21  THR  22          HG21      THR  22  16.354  -3.130  -1.375
  148   HG22  THR  22          HG22      THR  22  17.259  -4.645  -1.569
  149   HG23  THR  22          HG23      THR  22  17.311  -3.417  -2.841
  150    H    SER  23           H        SER  23  18.074  -0.740   1.068
  151    HA   SER  23           HA       SER  23  15.657  -1.186   2.685
  152    HB2  SER  23           HB2      SER  23  15.765   1.300   2.902
  153    HB3  SER  23           HB3      SER  23  17.235   0.471   3.427
  154    HG   SER  23           HG       SER  23  17.693   2.317   2.110
  155    H    ASN  24           H        ASN  24  16.241  -0.947  -0.646
  156    HA   ASN  24           HA       ASN  24  13.975   0.675  -1.422
  157    HB2  ASN  24           HB2      ASN  24  15.841  -1.176  -2.949
  158    HB3  ASN  24           HB3      ASN  24  14.540  -0.275  -3.719
  159   HD21  ASN  24          HD21      ASN  24  17.737   0.005  -2.286
  160   HD22  ASN  24          HD22      ASN  24  17.942   1.708  -2.675
  161    H    TYR  25           H        TYR  25  13.908  -2.463  -0.153
  162    HA   TYR  25           HA       TYR  25  11.685  -3.470  -1.759
  163    HB2  TYR  25           HB2      TYR  25  12.900  -4.348   0.866
  164    HB3  TYR  25           HB3      TYR  25  11.421  -5.053   0.235
  165    HD1  TYR  25           HD2      TYR  25  11.415  -6.024  -2.145
  166    HD2  TYR  25           HD1      TYR  25  14.993  -5.272   0.139
  167    HE1  TYR  25           HE2      TYR  25  12.680  -7.588  -3.614
  168    HE2  TYR  25           HE1      TYR  25  16.242  -6.875  -1.288
  169    HH   TYR  25           HH       TYR  25  16.158  -8.291  -3.128
  170    H    ILE  26           H        ILE  26   9.610  -3.264  -1.482
  171    HA   ILE  26           HA       ILE  26   8.444  -1.633   0.757
  172    HB   ILE  26           HB       ILE  26   7.181  -2.452  -1.892
  173   HG12  ILE  26          HG12      ILE  26   8.512   0.174  -1.113
  174   HG13  ILE  26          HG13      ILE  26   9.034  -0.941  -2.372
  175   HG21  ILE  26          HG21      ILE  26   5.587  -2.029  -0.001
  176   HG22  ILE  26          HG22      ILE  26   6.271  -0.399   0.177
  177   HG23  ILE  26          HG23      ILE  26   5.406  -0.869  -1.303
  178   HD11  ILE  26          HD11      ILE  26   6.895  -0.518  -3.602
  179   HD12  ILE  26          HD12      ILE  26   6.540   0.777  -2.425
  180   HD13  ILE  26          HD13      ILE  26   7.973   0.883  -3.453
  181    H    HIS  27           H        HIS  27   7.124  -2.679   2.194
  182    HA   HIS  27           HA       HIS  27   6.592  -5.601   1.743
  183    HB2  HIS  27           HB2      HIS  27   7.247  -4.188   4.349
  184    HB3  HIS  27           HB3      HIS  27   6.877  -5.896   4.153
  185    HD2  HIS  27           HD2      HIS  27   9.678  -3.333   3.680
  186    HE1  HIS  27           HE1      HIS  27  11.383  -7.137   2.820
  187    HE2  HIS  27           HE2      HIS  27  11.890  -4.666   3.198
  188    H    ILE  28           H        ILE  28   4.487  -5.998   1.531
  189    HA   ILE  28           HA       ILE  28   2.485  -4.280   2.998
  190    HB   ILE  28           HB       ILE  28   2.003  -5.991   0.529
  191   HG12  ILE  28          HG12      ILE  28   2.158  -2.943   0.682
  192   HG13  ILE  28          HG13      ILE  28   3.485  -3.944   0.099
  193   HG21  ILE  28          HG21      ILE  28  -0.195  -4.750   0.536
  194   HG22  ILE  28          HG22      ILE  28   0.017  -5.714   1.992
  195   HG23  ILE  28          HG23      ILE  28   0.267  -3.960   2.044
  196   HD11  ILE  28          HD11      ILE  28   0.755  -3.763  -1.190
  197   HD12  ILE  28          HD12      ILE  28   2.283  -3.109  -1.796
  198   HD13  ILE  28          HD13      ILE  28   2.053  -4.866  -1.686
  199    H    ARG  29           H        ARG  29   2.107  -5.186   4.846
  200    HA   ARG  29           HA       ARG  29   2.085  -8.160   5.163
  201    HB2  ARG  29           HB2      ARG  29   2.475  -6.084   7.346
  202    HB3  ARG  29           HB3      ARG  29   2.827  -7.805   7.411
  203    HG2  ARG  29           HG2      ARG  29   4.696  -7.438   5.776
  204    HG3  ARG  29           HG3      ARG  29   4.352  -5.702   5.799
  205    HD2  ARG  29           HD2      ARG  29   4.781  -5.644   8.235
  206    HD3  ARG  29           HD3      ARG  29   5.163  -7.366   8.221
  207    HE   ARG  29           HE       ARG  29   6.830  -5.138   7.276
  208   HH11  ARG  29          HH11      ARG  29   6.490  -8.666   7.078
  209   HH12  ARG  29          HH12      ARG  29   8.143  -8.859   6.580
  210   HH21  ARG  29          HH21      ARG  29   8.842  -5.442   6.671
  211   HH22  ARG  29          HH22      ARG  29   9.487  -7.036   6.330
  212    H    ILE  30           H        ILE  30   0.674  -8.862   7.086
  213    HA   ILE  30           HA       ILE  30  -1.716  -7.140   7.525
  214    HB   ILE  30           HB       ILE  30  -1.901 -10.144   7.035
  215   HG12  ILE  30          HG12      ILE  30  -2.887  -7.731   5.426
  216   HG13  ILE  30          HG13      ILE  30  -1.636  -8.867   4.929
  217   HG21  ILE  30          HG21      ILE  30  -4.307  -9.871   7.383
  218   HG22  ILE  30          HG22      ILE  30  -3.456  -9.348   8.810
  219   HG23  ILE  30          HG23      ILE  30  -4.105  -8.138   7.676
  220   HD11  ILE  30          HD11      ILE  30  -3.332 -10.689   4.855
  221   HD12  ILE  30          HD12      ILE  30  -4.594  -9.484   5.229
  222   HD13  ILE  30          HD13      ILE  30  -3.677  -9.347   3.738
  223    H    GLN  31           H        GLN  31  -2.400  -7.086   9.612
  224    HA   GLN  31           HA       GLN  31  -0.392  -7.816  11.595
  225    HB2  GLN  31           HB2      GLN  31  -3.122  -6.464  11.790
  226    HB3  GLN  31           HB3      GLN  31  -2.035  -6.680  13.161
  227    HG2  GLN  31           HG2      GLN  31  -1.388  -5.092  10.633
  228    HG3  GLN  31           HG3      GLN  31  -1.835  -4.412  12.189
  229   HE21  GLN  31          HE21      GLN  31   0.857  -4.796  10.310
  230   HE22  GLN  31          HE22      GLN  31   2.035  -4.988  11.600
  231    H    GLN  32           H        GLN  32  -0.856  -8.950  13.623
  232    HA   GLN  32           HA       GLN  32  -1.693 -11.596  12.878
  233    HB2  GLN  32           HB2      GLN  32  -0.827 -10.470  15.574
  234    HB3  GLN  32           HB3      GLN  32  -1.022 -12.182  15.216
  235    HG2  GLN  32           HG2      GLN  32   0.987 -10.309  13.882
  236    HG3  GLN  32           HG3      GLN  32   1.344 -11.465  15.151
  237   HE21  GLN  32          HE21      GLN  32   2.765 -11.544  12.725
  238   HE22  GLN  32          HE22      GLN  32   2.296 -13.008  11.874
  239    H    ARG  33           H        ARG  33  -3.490 -12.697  13.191
  240    HA   ARG  33           HA       ARG  33  -5.855 -11.391  14.300
  241    HB2  ARG  33           HB2      ARG  33  -5.359 -14.058  12.936
  242    HB3  ARG  33           HB3      ARG  33  -6.931 -13.598  13.611
  243    HG2  ARG  33           HG2      ARG  33  -7.052 -11.624  12.193
  244    HG3  ARG  33           HG3      ARG  33  -5.437 -11.942  11.526
  245    HD2  ARG  33           HD2      ARG  33  -6.180 -13.979  10.476
  246    HD3  ARG  33           HD3      ARG  33  -7.755 -13.901  11.293
  247    HE   ARG  33           HE       ARG  33  -7.756 -11.540   9.977
  248   HH11  ARG  33          HH11      ARG  33  -7.059 -14.777   8.703
  249   HH12  ARG  33          HH12      ARG  33  -7.686 -14.370   7.134
  250   HH21  ARG  33          HH21      ARG  33  -8.627 -11.141   8.056
  251   HH22  ARG  33          HH22      ARG  33  -8.621 -12.332   6.770
  252    H    ASN  34           H        ASN  34  -5.736 -11.167  16.400
  253    HA   ASN  34           HA       ASN  34  -5.448 -13.530  18.202
  254    HB2  ASN  34           HB2      ASN  34  -4.536 -11.990  19.826
  255    HB3  ASN  34           HB3      ASN  34  -3.647 -11.826  18.322
  256   HD21  ASN  34          HD21      ASN  34  -3.335  -9.797  20.079
  257   HD22  ASN  34          HD22      ASN  34  -4.240  -8.385  19.560
  258    H    GLY  35           H        GLY  35  -7.950 -12.202  16.872
  259    HA2  GLY  35           HA2      GLY  35 -10.207 -12.278  17.657
  260    HA3  GLY  35           HA3      GLY  35  -9.664 -11.930  19.313
  261    H    ARG  36           H        ARG  36  -8.028  -9.868  17.214
  262    HA   ARG  36           HA       ARG  36 -10.086  -7.694  17.339
  263    HB2  ARG  36           HB2      ARG  36  -7.060  -7.476  17.126
  264    HB3  ARG  36           HB3      ARG  36  -8.180  -6.126  17.195
  265    HG2  ARG  36           HG2      ARG  36  -7.735  -8.117  19.470
  266    HG3  ARG  36           HG3      ARG  36  -6.980  -6.540  19.309
  267    HD2  ARG  36           HD2      ARG  36  -8.727  -6.252  20.851
  268    HD3  ARG  36           HD3      ARG  36  -9.274  -5.482  19.354
  269    HE   ARG  36           HE       ARG  36 -10.205  -8.160  19.343
  270   HH11  ARG  36          HH11      ARG  36 -10.859  -5.264  21.264
  271   HH12  ARG  36          HH12      ARG  36 -12.491  -5.764  21.603
  272   HH21  ARG  36          HH21      ARG  36 -12.252  -8.727  19.766
  273   HH22  ARG  36          HH22      ARG  36 -13.279  -7.729  20.768
  274    H    LYS  37           H        LYS  37  -9.733  -6.049  15.569
  275    HA   LYS  37           HA       LYS  37 -10.612  -7.120  13.154
  276    HB2  LYS  37           HB2      LYS  37 -11.012  -4.828  14.045
  277    HB3  LYS  37           HB3      LYS  37  -9.323  -4.421  13.769
  278    HG2  LYS  37           HG2      LYS  37 -10.608  -3.409  12.051
  279    HG3  LYS  37           HG3      LYS  37  -9.679  -4.701  11.307
  280    HD2  LYS  37           HD2      LYS  37 -11.785  -6.160  11.411
  281    HD3  LYS  37           HD3      LYS  37 -12.629  -4.761  12.082
  282    HE2  LYS  37           HE2      LYS  37 -13.161  -4.712   9.791
  283    HE3  LYS  37           HE3      LYS  37 -11.935  -3.462  10.001
  284    HZ1  LYS  37           HZ1      LYS  37 -10.281  -5.126   9.175
  285    HZ2  LYS  37           HZ2      LYS  37 -11.455  -4.811   8.064
  286    HZ3  LYS  37           HZ3      LYS  37 -11.503  -6.196   8.919
  287    H    THR  38           H        THR  38  -9.761  -7.630  11.175
  288    HA   THR  38           HA       THR  38  -6.901  -8.038  10.756
  289    HB   THR  38           HB       THR  38  -9.173  -8.063   8.724
  290    HG1  THR  38           HG1      THR  38  -9.424  -9.665  10.304
  291   HG21  THR  38          HG21      THR  38  -6.369  -9.266   8.611
  292   HG22  THR  38          HG22      THR  38  -6.892  -7.834   7.691
  293   HG23  THR  38          HG23      THR  38  -7.629  -9.400   7.365
  294    H    LEU  39           H        LEU  39  -5.473  -6.560  10.164
  295    HA   LEU  39           HA       LEU  39  -6.276  -4.178   8.546
  296    HB2  LEU  39           HB2      LEU  39  -4.249  -4.240  10.828
  297    HB3  LEU  39           HB3      LEU  39  -4.578  -2.861   9.785
  298    HG   LEU  39           HG       LEU  39  -6.547  -4.083  11.775
  299   HD11  LEU  39          HD11      LEU  39  -6.121  -2.039  13.083
  300   HD12  LEU  39          HD12      LEU  39  -4.926  -1.503  11.879
  301   HD13  LEU  39          HD13      LEU  39  -4.628  -2.963  12.849
  302   HD21  LEU  39          HD21      LEU  39  -7.774  -3.037   9.936
  303   HD22  LEU  39          HD22      LEU  39  -6.760  -1.579  10.041
  304   HD23  LEU  39          HD23      LEU  39  -7.870  -2.006  11.363
  305    H    THR  40           H        THR  40  -5.018  -3.787   6.860
  306    HA   THR  40           HA       THR  40  -2.583  -5.411   6.287
  307    HB   THR  40           HB       THR  40  -4.246  -3.492   4.605
  308    HG1  THR  40           HG1      THR  40  -5.064  -5.572   5.096
  309   HG21  THR  40          HG21      THR  40  -1.819  -5.171   3.805
  310   HG22  THR  40          HG22      THR  40  -1.894  -3.391   3.815
  311   HG23  THR  40          HG23      THR  40  -2.897  -4.312   2.687
  312    H    THR  41           H        THR  41  -0.567  -4.467   6.294
  313    HA   THR  41           HA       THR  41  -0.333  -1.574   7.026
  314    HB   THR  41           HB       THR  41   1.740  -2.356   8.359
  315    HG1  THR  41           HG1      THR  41   1.509  -4.542   7.735
  316   HG21  THR  41          HG21      THR  41  -1.110  -2.796   9.353
  317   HG22  THR  41          HG22      THR  41  -0.221  -1.252   9.294
  318   HG23  THR  41          HG23      THR  41   0.329  -2.539  10.372
  319    H    VAL  42           H        VAL  42   0.724  -0.475   5.659
  320    HA   VAL  42           HA       VAL  42   2.563  -1.811   3.710
  321    HB   VAL  42           HB       VAL  42   1.496   1.025   3.610
  322   HG11  VAL  42          HG11      VAL  42   3.538   0.709   2.275
  323   HG12  VAL  42          HG12      VAL  42   2.834  -0.724   1.498
  324   HG13  VAL  42          HG13      VAL  42   2.140   0.888   1.216
  325   HG21  VAL  42          HG21      VAL  42  -0.097   0.225   1.913
  326   HG22  VAL  42          HG22      VAL  42   0.429  -1.456   2.203
  327   HG23  VAL  42          HG23      VAL  42  -0.412  -0.534   3.470
  328    H    GLN  43           H        GLN  43   4.660  -1.611   3.887
  329    HA   GLN  43           HA       GLN  43   5.956   0.544   5.518
  330    HB2  GLN  43           HB2      GLN  43   5.638  -1.571   6.786
  331    HB3  GLN  43           HB3      GLN  43   6.386  -2.475   5.480
  332    HG2  GLN  43           HG2      GLN  43   8.553  -1.272   5.931
  333    HG3  GLN  43           HG3      GLN  43   7.764  -0.445   7.283
  334   HE21  GLN  43          HE21      GLN  43   8.205  -1.467   9.267
  335   HE22  GLN  43          HE22      GLN  43   8.527  -3.199   9.402
  336    H    GLY  44           H        GLY  44   8.125   1.078   4.825
  337    HA2  GLY  44           HA2      GLY  44  10.031   1.046   3.540
  338    HA3  GLY  44           HA3      GLY  44   9.461  -0.454   2.778
  339    H    VAL  45           H        VAL  45   7.049   1.678   2.190
  340    HA   VAL  45           HA       VAL  45   7.548   2.124  -0.540
  341    HB   VAL  45           HB       VAL  45   5.341   2.301   0.354
  342   HG11  VAL  45          HG11      VAL  45   4.490   4.203   1.587
  343   HG12  VAL  45          HG12      VAL  45   5.801   3.457   2.511
  344   HG13  VAL  45          HG13      VAL  45   6.088   4.966   1.613
  345   HG21  VAL  45          HG21      VAL  45   4.532   4.244  -0.895
  346   HG22  VAL  45          HG22      VAL  45   6.158   4.952  -0.912
  347   HG23  VAL  45          HG23      VAL  45   5.825   3.435  -1.791
  348    HA   PRO  46           HA       PRO  46  10.811   5.162  -0.588
  349    HB2  PRO  46           HB2      PRO  46   9.433   5.982  -3.149
  350    HB3  PRO  46           HB3      PRO  46  11.167   5.805  -2.847
  351    HG2  PRO  46           HG2      PRO  46   9.836   3.822  -4.093
  352    HG3  PRO  46           HG3      PRO  46  10.960   3.397  -2.760
  353    HD2  PRO  46           HD2      PRO  46   7.941   3.679  -2.648
  354    HD3  PRO  46           HD3      PRO  46   9.001   2.410  -1.964
  355    H    GLU  47           H        GLU  47  11.156   7.289  -0.037
  356    HA   GLU  47           HA       GLU  47   9.010   8.592   1.255
  357    HB2  GLU  47           HB2      GLU  47  11.516   8.509   1.821
  358    HB3  GLU  47           HB3      GLU  47  11.760   9.729   0.579
  359    HG2  GLU  47           HG2      GLU  47  11.745  10.774   2.739
  360    HG3  GLU  47           HG3      GLU  47  10.316  11.306   1.875
  361    H    GLU  48           H        GLU  48  10.047   8.920  -2.020
  362    HA   GLU  48           HA       GLU  48   9.158  11.630  -2.504
  363    HB2  GLU  48           HB2      GLU  48   9.428  11.123  -4.835
  364    HB3  GLU  48           HB3      GLU  48  10.799  10.494  -3.927
  365    HG2  GLU  48           HG2      GLU  48   9.770   8.202  -4.026
  366    HG3  GLU  48           HG3      GLU  48   8.458   8.859  -5.011
  367    H    TYR  49           H        TYR  49   7.398   8.684  -2.016
  368    HA   TYR  49           HA       TYR  49   4.961   9.679  -3.388
  369    HB2  TYR  49           HB2      TYR  49   5.527   7.062  -1.958
  370    HB3  TYR  49           HB3      TYR  49   4.048   7.479  -2.810
  371    HD1  TYR  49           HD2      TYR  49   4.262   8.137  -5.330
  372    HD2  TYR  49           HD1      TYR  49   7.307   6.001  -3.146
  373    HE1  TYR  49           HE2      TYR  49   5.212   7.307  -7.474
  374    HE2  TYR  49           HE1      TYR  49   8.280   5.209  -5.290
  375    HH   TYR  49           HH       TYR  49   6.807   5.970  -8.467
  376    H    ASP  50           H        ASP  50   3.525  10.864  -2.315
  377    HA   ASP  50           HA       ASP  50   3.695  11.368   0.529
  378    HB2  ASP  50           HB2      ASP  50   3.036  13.120  -0.996
  379    HB3  ASP  50           HB3      ASP  50   1.685  12.162  -1.598
  380    H    LEU  51           H        LEU  51   2.979  10.080   2.076
  381    HA   LEU  51           HA       LEU  51   1.349   7.786   1.710
  382    HB2  LEU  51           HB2      LEU  51   1.780   9.395   4.258
  383    HB3  LEU  51           HB3      LEU  51   1.280   7.709   4.156
  384    HG   LEU  51           HG       LEU  51   4.005   8.871   3.451
  385   HD11  LEU  51          HD11      LEU  51   3.084   6.960   5.643
  386   HD12  LEU  51          HD12      LEU  51   3.478   8.680   5.854
  387   HD13  LEU  51          HD13      LEU  51   4.748   7.533   5.382
  388   HD21  LEU  51          HD21      LEU  51   3.533   6.986   1.906
  389   HD22  LEU  51          HD22      LEU  51   3.142   5.948   3.301
  390   HD23  LEU  51          HD23      LEU  51   4.783   6.575   3.084
  391    H    LYS  52           H        LYS  52   0.449  11.088   2.651
  392    HA   LYS  52           HA       LYS  52  -2.308  10.591   3.261
  393    HB2  LYS  52           HB2      LYS  52  -1.055  13.128   2.151
  394    HB3  LYS  52           HB3      LYS  52  -2.600  12.995   2.987
  395    HG2  LYS  52           HG2      LYS  52  -1.412  12.223   5.043
  396    HG3  LYS  52           HG3      LYS  52   0.139  12.442   4.228
  397    HD2  LYS  52           HD2      LYS  52  -1.904  14.595   4.883
  398    HD3  LYS  52           HD3      LYS  52  -0.350  14.350   5.669
  399    HE2  LYS  52           HE2      LYS  52  -0.798  15.229   2.776
  400    HE3  LYS  52           HE3      LYS  52  -0.302  16.260   4.120
  401    HZ1  LYS  52           HZ1      LYS  52   1.619  15.658   2.866
  402    HZ2  LYS  52           HZ2      LYS  52   1.291  14.065   2.907
  403    HZ3  LYS  52           HZ3      LYS  52   1.733  14.855   4.284
  404    H    ARG  53           H        ARG  53  -0.715  11.332   0.121
  405    HA   ARG  53           HA       ARG  53  -3.144  11.302  -1.419
  406    HB2  ARG  53           HB2      ARG  53  -1.096  12.302  -2.288
  407    HB3  ARG  53           HB3      ARG  53  -0.263  10.752  -2.229
  408    HG2  ARG  53           HG2      ARG  53  -0.903  11.313  -4.508
  409    HG3  ARG  53           HG3      ARG  53  -1.693   9.833  -3.976
  410    HD2  ARG  53           HD2      ARG  53  -3.789  11.139  -3.543
  411    HD3  ARG  53           HD3      ARG  53  -2.971  12.596  -4.147
  412    HE   ARG  53           HE       ARG  53  -2.684  10.635  -6.132
  413   HH11  ARG  53          HH11      ARG  53  -5.397  12.388  -4.685
  414   HH12  ARG  53          HH12      ARG  53  -6.394  12.187  -6.093
  415   HH21  ARG  53          HH21      ARG  53  -4.018  10.428  -7.921
  416   HH22  ARG  53          HH22      ARG  53  -5.616  11.104  -7.903
  417    H    ILE  54           H        ILE  54  -0.923   8.692  -0.382
  418    HA   ILE  54           HA       ILE  54  -2.216   6.553  -1.848
  419    HB   ILE  54           HB       ILE  54  -0.579   6.416   0.702
  420   HG12  ILE  54          HG12      ILE  54   0.187   5.937  -2.212
  421   HG13  ILE  54          HG13      ILE  54   0.608   7.372  -1.308
  422   HG21  ILE  54          HG21      ILE  54  -1.993   4.429   0.466
  423   HG22  ILE  54          HG22      ILE  54  -1.516   4.248  -1.235
  424   HG23  ILE  54          HG23      ILE  54  -0.341   3.993   0.074
  425   HD11  ILE  54          HD11      ILE  54   1.900   5.948   0.314
  426   HD12  ILE  54          HD12      ILE  54   1.640   4.572  -0.784
  427   HD13  ILE  54          HD13      ILE  54   2.536   5.987  -1.342
  428    H    LEU  55           H        LEU  55  -2.854   7.905   1.465
  429    HA   LEU  55           HA       LEU  55  -5.099   6.234   1.996
  430    HB2  LEU  55           HB2      LEU  55  -4.884   9.173   2.787
  431    HB3  LEU  55           HB3      LEU  55  -5.878   7.924   3.486
  432    HG   LEU  55           HG       LEU  55  -2.940   8.426   3.853
  433   HD11  LEU  55          HD11      LEU  55  -4.605   9.480   5.338
  434   HD12  LEU  55          HD12      LEU  55  -3.599   8.326   6.224
  435   HD13  LEU  55          HD13      LEU  55  -5.254   7.879   5.757
  436   HD21  LEU  55          HD21      LEU  55  -2.736   6.310   5.112
  437   HD22  LEU  55          HD22      LEU  55  -2.936   6.055   3.380
  438   HD23  LEU  55          HD23      LEU  55  -4.319   5.785   4.487
  439    H    LYS  56           H        LYS  56  -5.071   9.493   0.443
  440    HA   LYS  56           HA       LYS  56  -7.831   9.638  -0.091
  441    HB2  LYS  56           HB2      LYS  56  -5.425  10.787  -1.567
  442    HB3  LYS  56           HB3      LYS  56  -7.074  11.212  -1.991
  443    HG2  LYS  56           HG2      LYS  56  -5.922  11.647   0.799
  444    HG3  LYS  56           HG3      LYS  56  -5.878  12.850  -0.492
  445    HD2  LYS  56           HD2      LYS  56  -8.369  12.799  -0.614
  446    HD3  LYS  56           HD3      LYS  56  -8.400  11.648   0.741
  447    HE2  LYS  56           HE2      LYS  56  -7.218  13.292   2.175
  448    HE3  LYS  56           HE3      LYS  56  -7.163  14.438   0.830
  449    HZ1  LYS  56           HZ1      LYS  56  -9.652  13.426   2.097
  450    HZ2  LYS  56           HZ2      LYS  56  -9.595  14.485   0.851
  451    HZ3  LYS  56           HZ3      LYS  56  -9.014  14.914   2.315
  452    H    VAL  57           H        VAL  57  -5.332   8.361  -2.335
  453    HA   VAL  57           HA       VAL  57  -7.257   7.836  -4.397
  454    HB   VAL  57           HB       VAL  57  -4.832   8.167  -4.776
  455   HG11  VAL  57          HG11      VAL  57  -3.233   6.533  -4.492
  456   HG12  VAL  57          HG12      VAL  57  -4.102   6.591  -2.964
  457   HG13  VAL  57          HG13      VAL  57  -4.426   5.259  -4.090
  458   HG21  VAL  57          HG21      VAL  57  -6.318   7.281  -6.549
  459   HG22  VAL  57          HG22      VAL  57  -4.662   6.669  -6.686
  460   HG23  VAL  57          HG23      VAL  57  -5.939   5.620  -6.031
  461    H    LEU  58           H        LEU  58  -5.956   5.671  -1.823
  462    HA   LEU  58           HA       LEU  58  -7.395   3.334  -2.799
  463    HB2  LEU  58           HB2      LEU  58  -6.147   3.980  -0.101
  464    HB3  LEU  58           HB3      LEU  58  -6.760   2.400  -0.588
  465    HG   LEU  58           HG       LEU  58  -4.445   3.810  -1.979
  466   HD11  LEU  58          HD11      LEU  58  -3.944   3.098   0.370
  467   HD12  LEU  58          HD12      LEU  58  -3.017   2.198  -0.847
  468   HD13  LEU  58          HD13      LEU  58  -4.418   1.447  -0.069
  469   HD21  LEU  58          HD21      LEU  58  -5.497   2.346  -3.540
  470   HD22  LEU  58          HD22      LEU  58  -5.696   1.058  -2.321
  471   HD23  LEU  58          HD23      LEU  58  -4.081   1.492  -2.930
  472    H    LYS  59           H        LYS  59  -8.212   5.861  -0.356
  473    HA   LYS  59           HA       LYS  59 -10.748   4.650   0.350
  474    HB2  LYS  59           HB2      LYS  59  -9.701   7.504   0.507
  475    HB3  LYS  59           HB3      LYS  59 -11.275   6.998   1.138
  476    HG2  LYS  59           HG2      LYS  59 -10.224   5.384   2.651
  477    HG3  LYS  59           HG3      LYS  59  -8.624   5.767   2.027
  478    HD2  LYS  59           HD2      LYS  59  -8.983   8.178   2.751
  479    HD3  LYS  59           HD3      LYS  59 -10.487   7.646   3.535
  480    HE2  LYS  59           HE2      LYS  59  -9.101   5.961   4.834
  481    HE3  LYS  59           HE3      LYS  59  -7.650   6.670   4.131
  482    HZ1  LYS  59           HZ1      LYS  59  -8.132   7.575   6.324
  483    HZ2  LYS  59           HZ2      LYS  59  -9.607   8.103   5.852
  484    HZ3  LYS  59           HZ3      LYS  59  -8.259   8.780   5.214
  485    H    LYS  60           H        LYS  60  -9.801   6.800  -2.307
  486    HA   LYS  60           HA       LYS  60 -12.479   7.290  -3.286
  487    HB2  LYS  60           HB2      LYS  60 -10.642   8.821  -3.702
  488    HB3  LYS  60           HB3      LYS  60  -9.710   7.565  -4.523
  489    HG2  LYS  60           HG2      LYS  60 -11.425   7.469  -6.323
  490    HG3  LYS  60           HG3      LYS  60 -12.349   8.739  -5.507
  491    HD2  LYS  60           HD2      LYS  60 -10.551  10.331  -5.805
  492    HD3  LYS  60           HD3      LYS  60  -9.445   9.088  -6.403
  493    HE2  LYS  60           HE2      LYS  60 -12.063   9.785  -7.807
  494    HE3  LYS  60           HE3      LYS  60 -10.549  10.629  -8.144
  495    HZ1  LYS  60           HZ1      LYS  60 -10.891   8.806  -9.698
  496    HZ2  LYS  60           HZ2      LYS  60 -10.931   7.696  -8.492
  497    HZ3  LYS  60           HZ3      LYS  60  -9.561   8.510  -8.789
  498    H    ASP  61           H        ASP  61  -9.875   5.309  -4.808
  499    HA   ASP  61           HA       ASP  61 -11.885   4.195  -6.641
  500    HB2  ASP  61           HB2      ASP  61  -8.856   4.000  -6.545
  501    HB3  ASP  61           HB3      ASP  61  -9.870   3.327  -7.821
  502    H    PHE  62           H        PHE  62  -9.935   2.885  -3.960
  503    HA   PHE  62           HA       PHE  62 -10.918   0.140  -4.547
  504    HB2  PHE  62           HB2      PHE  62  -8.898   1.211  -2.541
  505    HB3  PHE  62           HB3      PHE  62  -9.462  -0.432  -2.578
  506    HD1  PHE  62           HD2      PHE  62  -7.737   2.152  -4.729
  507    HD2  PHE  62           HD1      PHE  62  -8.432  -2.036  -3.930
  508    HE1  PHE  62           HE2      PHE  62  -5.905   1.548  -6.265
  509    HE2  PHE  62           HE1      PHE  62  -6.594  -2.624  -5.484
  510    HZ   PHE  62           HZ       PHE  62  -5.324  -0.851  -6.648
  511    H    ALA  63           H        ALA  63 -11.987   2.856  -2.890
  512    HA   ALA  63           HA       ALA  63 -13.613   3.307  -1.381
  513    HB1  ALA  63           HB1      ALA  63 -14.901   1.964  -3.030
  514    HB2  ALA  63           HB2      ALA  63 -14.630   0.511  -2.039
  515    HB3  ALA  63           HB3      ALA  63 -15.568   1.869  -1.391
  516    H    CYS  64           H        CYS  64 -11.126   2.161  -0.329
  517    HA   CYS  64           HA       CYS  64 -11.858   0.409   1.911
  518    HB2  CYS  64           HB2      CYS  64  -9.512   0.111   2.155
  519    HB3  CYS  64           HB3      CYS  64  -9.733   0.286   0.408
  520    HG   CYS  64           HG       CYS  64  -9.190   2.821   0.280
  521    H    ASN  65           H        ASN  65 -10.241   1.153   3.936
  522    HA   ASN  65           HA       ASN  65 -10.560   3.989   4.590
  523    HB2  ASN  65           HB2      ASN  65 -12.597   2.899   5.557
  524    HB3  ASN  65           HB3      ASN  65 -11.550   1.811   6.466
  525   HD21  ASN  65          HD21      ASN  65 -12.298   2.565   8.511
  526   HD22  ASN  65          HD22      ASN  65 -11.932   4.188   9.094
  527    H    GLY  66           H        GLY  66  -8.997   4.642   6.287
  528    HA2  GLY  66           HA2      GLY  66  -6.920   2.923   7.231
  529    HA3  GLY  66           HA3      GLY  66  -6.454   3.521   5.662
  530    H    ASN  67           H        ASN  67  -4.811   4.023   7.563
  531    HA   ASN  67           HA       ASN  67  -4.788   6.924   7.934
  532    HB2  ASN  67           HB2      ASN  67  -6.183   6.034   9.858
  533    HB3  ASN  67           HB3      ASN  67  -4.771   5.104  10.367
  534   HD21  ASN  67          HD21      ASN  67  -4.737   6.214  12.411
  535   HD22  ASN  67          HD22      ASN  67  -4.154   7.866  12.504
  536    H    ILE  68           H        ILE  68  -2.742   7.652   8.950
  537    HA   ILE  68           HA       ILE  68  -0.384   5.881   8.357
  538    HB   ILE  68           HB       ILE  68  -0.621   8.868   8.851
  539   HG12  ILE  68          HG12      ILE  68   0.321   7.525   6.284
  540   HG13  ILE  68          HG13      ILE  68  -1.380   7.864   6.551
  541   HG21  ILE  68          HG21      ILE  68   1.540   8.044   9.722
  542   HG22  ILE  68          HG22      ILE  68   1.846   7.167   8.208
  543   HG23  ILE  68          HG23      ILE  68   1.822   8.941   8.239
  544   HD11  ILE  68          HD11      ILE  68  -0.879  10.276   6.887
  545   HD12  ILE  68          HD12      ILE  68   0.820   9.955   6.464
  546   HD13  ILE  68          HD13      ILE  68  -0.466   9.671   5.276
  547    H    VAL  69           H        VAL  69   0.699   4.995  10.058
  548    HA   VAL  69           HA       VAL  69   0.373   6.131  12.813
  549    HB   VAL  69           HB       VAL  69  -0.024   3.199  12.068
  550   HG11  VAL  69          HG11      VAL  69   1.109   3.325  14.229
  551   HG12  VAL  69          HG12      VAL  69  -0.042   4.558  14.800
  552   HG13  VAL  69          HG13      VAL  69  -0.576   2.893  14.491
  553   HG21  VAL  69          HG21      VAL  69  -1.997   5.270  13.135
  554   HG22  VAL  69          HG22      VAL  69  -2.062   4.443  11.558
  555   HG23  VAL  69          HG23      VAL  69  -2.320   3.532  13.045
  556    H    LYS  70           H        LYS  70   2.200   5.945  14.078
  557    HA   LYS  70           HA       LYS  70   4.608   4.679  12.831
  558    HB2  LYS  70           HB2      LYS  70   4.684   7.104  13.295
  559    HB3  LYS  70           HB3      LYS  70   4.475   6.778  15.021
  560    HG2  LYS  70           HG2      LYS  70   6.567   5.493  15.077
  561    HG3  LYS  70           HG3      LYS  70   6.759   5.647  13.327
  562    HD2  LYS  70           HD2      LYS  70   6.750   7.990  15.280
  563    HD3  LYS  70           HD3      LYS  70   8.205   7.198  14.653
  564    HE2  LYS  70           HE2      LYS  70   7.518   7.765  12.327
  565    HE3  LYS  70           HE3      LYS  70   6.083   8.587  12.947
  566    HZ1  LYS  70           HZ1      LYS  70   7.846  10.143  12.490
  567    HZ2  LYS  70           HZ2      LYS  70   8.880   9.390  13.511
  568    HZ3  LYS  70           HZ3      LYS  70   7.547  10.143  14.097
  569    H    ASP  71           H        ASP  71   4.953   2.692  13.462
  570    HA   ASP  71           HA       ASP  71   4.026   1.652  16.048
  571    HB2  ASP  71           HB2      ASP  71   3.765   0.470  13.808
  572    HB3  ASP  71           HB3      ASP  71   5.507   0.296  13.784
  573    HA   PRO  72           HA       PRO  72   8.055   2.053  18.049
  574    HB2  PRO  72           HB2      PRO  72   7.370  -0.614  19.295
  575    HB3  PRO  72           HB3      PRO  72   7.988   0.874  20.079
  576    HG2  PRO  72           HG2      PRO  72   5.368   0.216  20.243
  577    HG3  PRO  72           HG3      PRO  72   5.849   1.921  19.937
  578    HD2  PRO  72           HD2      PRO  72   4.894  -0.155  17.963
  579    HD3  PRO  72           HD3      PRO  72   4.447   1.573  18.104
  580    H    GLU  73           H        GLU  73   7.199  -1.025  16.446
  581    HA   GLU  73           HA       GLU  73  10.103  -1.708  16.099
  582    HB2  GLU  73           HB2      GLU  73   7.628  -3.485  15.939
  583    HB3  GLU  73           HB3      GLU  73   9.309  -3.989  15.710
  584    HG2  GLU  73           HG2      GLU  73   9.781  -3.115  18.045
  585    HG3  GLU  73           HG3      GLU  73   8.041  -2.934  18.272
  586    H    MET  74           H        MET  74   6.968  -1.694  14.367
  587    HA   MET  74           HA       MET  74   8.222  -2.229  11.779
  588    HB2  MET  74           HB2      MET  74   5.357  -1.517  12.526
  589    HB3  MET  74           HB3      MET  74   5.888  -1.857  10.892
  590    HG2  MET  74           HG2      MET  74   6.732  -4.096  11.691
  591    HG3  MET  74           HG3      MET  74   6.017  -3.748  13.269
  592    HE1  MET  74           HE1      MET  74   4.682  -6.010  13.192
  593    HE2  MET  74           HE2      MET  74   3.690  -6.534  11.815
  594    HE3  MET  74           HE3      MET  74   5.446  -6.363  11.626
  595    H    GLY  75           H        GLY  75   7.683   0.721  13.497
  596    HA2  GLY  75           HA2      GLY  75   8.426   2.859  12.934
  597    HA3  GLY  75           HA3      GLY  75   8.855   2.279  11.313
  598    H    GLU  76           H        GLU  76   7.963   4.349  10.582
  599    HA   GLU  76           HA       GLU  76   5.172   4.919  10.849
  600    HB2  GLU  76           HB2      GLU  76   7.208   6.485  10.428
  601    HB3  GLU  76           HB3      GLU  76   6.985   6.075   8.719
  602    HG2  GLU  76           HG2      GLU  76   4.625   6.814   8.895
  603    HG3  GLU  76           HG3      GLU  76   4.859   7.159  10.612
  604    H    ILE  77           H        ILE  77   3.560   3.966   9.874
  605    HA   ILE  77           HA       ILE  77   3.811   2.655   7.210
  606    HB   ILE  77           HB       ILE  77   2.527   0.723   8.164
  607   HG12  ILE  77          HG12      ILE  77   3.287   1.880  10.880
  608   HG13  ILE  77          HG13      ILE  77   1.654   1.735  10.223
  609   HG21  ILE  77          HG21      ILE  77   4.426  -0.486   8.870
  610   HG22  ILE  77          HG22      ILE  77   5.003   0.714   7.716
  611   HG23  ILE  77          HG23      ILE  77   5.257   0.980   9.453
  612   HD11  ILE  77          HD11      ILE  77   1.967  -0.040  11.784
  613   HD12  ILE  77          HD12      ILE  77   2.021  -0.776  10.168
  614   HD13  ILE  77          HD13      ILE  77   3.523  -0.503  11.075
  615    H    ILE  78           H        ILE  78   1.898   2.333   6.081
  616    HA   ILE  78           HA       ILE  78  -0.490   3.891   6.998
  617    HB   ILE  78           HB       ILE  78   0.161   2.559   4.351
  618   HG12  ILE  78          HG12      ILE  78  -0.367   5.509   4.886
  619   HG13  ILE  78          HG13      ILE  78   1.256   4.822   4.977
  620   HG21  ILE  78          HG21      ILE  78  -2.215   2.261   4.703
  621   HG22  ILE  78          HG22      ILE  78  -2.398   3.933   5.266
  622   HG23  ILE  78          HG23      ILE  78  -2.027   3.579   3.567
  623   HD11  ILE  78          HD11      ILE  78  -0.518   4.749   2.512
  624   HD12  ILE  78          HD12      ILE  78   0.888   5.779   2.769
  625   HD13  ILE  78          HD13      ILE  78   1.104   4.021   2.660
  626    H    GLN  79           H        GLN  79  -2.128   2.889   7.916
  627    HA   GLN  79           HA       GLN  79  -2.394  -0.087   7.890
  628    HB2  GLN  79           HB2      GLN  79  -3.677   2.108   9.585
  629    HB3  GLN  79           HB3      GLN  79  -4.189   0.413   9.594
  630    HG2  GLN  79           HG2      GLN  79  -1.953  -0.288  10.347
  631    HG3  GLN  79           HG3      GLN  79  -1.400   1.392  10.355
  632   HE21  GLN  79          HE21      GLN  79  -1.009   0.182  12.699
  633   HE22  GLN  79          HE22      GLN  79  -2.255   0.614  13.858
  634    H    LEU  80           H        LEU  80  -3.913  -0.924   6.543
  635    HA   LEU  80           HA       LEU  80  -6.171   0.775   5.591
  636    HB2  LEU  80           HB2      LEU  80  -4.173  -0.431   3.998
  637    HB3  LEU  80           HB3      LEU  80  -5.466  -1.622   3.993
  638    HG   LEU  80           HG       LEU  80  -7.054   0.129   3.176
  639   HD11  LEU  80          HD11      LEU  80  -5.975   2.222   2.184
  640   HD12  LEU  80          HD12      LEU  80  -4.489   1.807   3.047
  641   HD13  LEU  80          HD13      LEU  80  -5.968   2.197   3.947
  642   HD21  LEU  80          HD21      LEU  80  -6.174   0.138   0.869
  643   HD22  LEU  80          HD22      LEU  80  -5.843  -1.418   1.632
  644   HD23  LEU  80          HD23      LEU  80  -4.547  -0.232   1.493
  645    H    GLN  81           H        GLN  81  -8.202  -0.100   5.961
  646    HA   GLN  81           HA       GLN  81  -8.300  -2.285   7.893
  647    HB2  GLN  81           HB2      GLN  81 -10.467  -0.571   6.610
  648    HB3  GLN  81           HB3      GLN  81 -10.785  -1.845   7.790
  649    HG2  GLN  81           HG2      GLN  81  -9.152  -0.680   9.363
  650    HG3  GLN  81           HG3      GLN  81  -9.134   0.682   8.245
  651   HE21  GLN  81          HE21      GLN  81 -10.046   0.637  11.081
  652   HE22  GLN  81          HE22      GLN  81 -11.737   1.104  11.021
  653    H    GLY  82           H        GLY  82  -8.573  -4.385   7.552
  654    HA2  GLY  82           HA2      GLY  82  -9.597  -6.311   6.585
  655    HA3  GLY  82           HA3      GLY  82  -9.891  -5.424   5.082
  656    H    ASP  83           H        ASP  83  -8.990  -7.526   4.316
  657    HA   ASP  83           HA       ASP  83  -6.045  -7.784   4.371
  658    HB2  ASP  83           HB2      ASP  83  -6.453  -9.996   3.461
  659    HB3  ASP  83           HB3      ASP  83  -7.321  -9.735   4.966
  660    H    GLN  84           H        GLN  84  -5.525  -5.998   3.072
  661    HA   GLN  84           HA       GLN  84  -6.481  -5.981   0.248
  662    HB2  GLN  84           HB2      GLN  84  -5.282  -3.657   1.755
  663    HB3  GLN  84           HB3      GLN  84  -6.305  -3.627   0.321
  664    HG2  GLN  84           HG2      GLN  84  -7.138  -4.191   3.201
  665    HG3  GLN  84           HG3      GLN  84  -7.528  -2.784   2.248
  666   HE21  GLN  84          HE21      GLN  84  -9.629  -3.829   3.422
  667   HE22  GLN  84          HE22      GLN  84 -10.608  -4.764   2.291
  668    H    ARG  85           H        ARG  85  -4.057  -7.433   1.476
  669    HA   ARG  85           HA       ARG  85  -1.776  -6.063   0.763
  670    HB2  ARG  85           HB2      ARG  85  -0.571  -8.195   1.010
  671    HB3  ARG  85           HB3      ARG  85  -1.700  -7.854   2.313
  672    HG2  ARG  85           HG2      ARG  85  -3.364  -9.411   1.290
  673    HG3  ARG  85           HG3      ARG  85  -2.189  -9.827   0.029
  674    HD2  ARG  85           HD2      ARG  85  -0.708 -10.837   1.602
  675    HD3  ARG  85           HD3      ARG  85  -1.558 -10.139   2.977
  676    HE   ARG  85           HE       ARG  85  -3.398 -11.753   1.529
  677   HH11  ARG  85          HH11      ARG  85  -0.496 -12.237   3.523
  678   HH12  ARG  85          HH12      ARG  85  -1.132 -13.773   4.133
  679   HH21  ARG  85          HH21      ARG  85  -4.061 -13.765   2.444
  680   HH22  ARG  85          HH22      ARG  85  -2.960 -14.558   3.562
  681    H    ALA  86           H        ALA  86  -3.446  -8.434  -1.304
  682    HA   ALA  86           HA       ALA  86  -1.631  -8.159  -3.553
  683    HB1  ALA  86           HB1      ALA  86  -4.515  -9.160  -3.349
  684    HB2  ALA  86           HB2      ALA  86  -3.420  -9.411  -4.727
  685    HB3  ALA  86           HB3      ALA  86  -3.047 -10.147  -3.155
  686    H    LYS  87           H        LYS  87  -4.687  -6.580  -2.623
  687    HA   LYS  87           HA       LYS  87  -5.133  -5.099  -5.030
  688    HB2  LYS  87           HB2      LYS  87  -5.944  -4.496  -2.146
  689    HB3  LYS  87           HB3      LYS  87  -6.607  -3.718  -3.569
  690    HG2  LYS  87           HG2      LYS  87  -7.441  -5.956  -4.380
  691    HG3  LYS  87           HG3      LYS  87  -6.852  -6.665  -2.859
  692    HD2  LYS  87           HD2      LYS  87  -8.245  -4.851  -1.675
  693    HD3  LYS  87           HD3      LYS  87  -9.037  -4.574  -3.229
  694    HE2  LYS  87           HE2      LYS  87  -9.863  -6.860  -3.300
  695    HE3  LYS  87           HE3      LYS  87  -8.827  -7.332  -1.943
  696    HZ1  LYS  87           HZ1      LYS  87 -11.096  -5.438  -1.749
  697    HZ2  LYS  87           HZ2      LYS  87 -10.080  -5.839  -0.522
  698    HZ3  LYS  87           HZ3      LYS  87 -11.074  -6.973  -1.174
  699    H    VAL  88           H        VAL  88  -3.478  -4.126  -1.990
  700    HA   VAL  88           HA       VAL  88  -2.701  -1.548  -3.030
  701    HB   VAL  88           HB       VAL  88  -1.524  -3.132  -0.720
  702   HG11  VAL  88          HG11      VAL  88  -1.113  -0.200  -1.501
  703   HG12  VAL  88          HG12      VAL  88  -0.615  -0.929   0.036
  704   HG13  VAL  88          HG13      VAL  88   0.145  -1.455  -1.459
  705   HG21  VAL  88          HG21      VAL  88  -3.922  -2.451  -0.438
  706   HG22  VAL  88          HG22      VAL  88  -2.847  -1.594   0.670
  707   HG23  VAL  88          HG23      VAL  88  -3.469  -0.778  -0.786
  708    H    CYS  89           H        CYS  89  -0.991  -4.747  -3.062
  709    HA   CYS  89           HA       CYS  89   1.433  -3.841  -4.244
  710    HB2  CYS  89           HB2      CYS  89   0.922  -6.151  -3.360
  711    HB3  CYS  89           HB3      CYS  89  -0.066  -6.450  -4.798
  712    HG   CYS  89           HG       CYS  89   1.894  -5.877  -6.537
  713    H    GLU  90           H        GLU  90  -1.624  -4.826  -5.863
  714    HA   GLU  90           HA       GLU  90  -0.803  -4.200  -8.494
  715    HB2  GLU  90           HB2      GLU  90  -2.792  -5.567  -7.767
  716    HB3  GLU  90           HB3      GLU  90  -3.639  -4.054  -7.398
  717    HG2  GLU  90           HG2      GLU  90  -3.402  -3.343  -9.750
  718    HG3  GLU  90           HG3      GLU  90  -2.443  -4.786 -10.102
  719    H    PHE  91           H        PHE  91  -2.288  -2.016  -5.999
  720    HA   PHE  91           HA       PHE  91  -2.655   0.255  -7.693
  721    HB2  PHE  91           HB2      PHE  91  -3.678   0.317  -5.548
  722    HB3  PHE  91           HB3      PHE  91  -2.213  -0.147  -4.722
  723    HD1  PHE  91           HD1      PHE  91  -3.565   2.641  -6.850
  724    HD2  PHE  91           HD2      PHE  91  -0.873   1.465  -3.702
  725    HE1  PHE  91           HE1      PHE  91  -2.870   5.007  -6.557
  726    HE2  PHE  91           HE2      PHE  91  -0.204   3.834  -3.381
  727    HZ   PHE  91           HZ       PHE  91  -1.207   5.613  -4.818
  728    H    MET  92           H        MET  92   0.123  -0.703  -5.667
  729    HA   MET  92           HA       MET  92   1.824   1.516  -6.188
  730    HB2  MET  92           HB2      MET  92   2.442  -1.391  -5.539
  731    HB3  MET  92           HB3      MET  92   3.630  -0.098  -5.441
  732    HG2  MET  92           HG2      MET  92   1.032   0.066  -3.893
  733    HG3  MET  92           HG3      MET  92   2.359  -0.903  -3.294
  734    HE1  MET  92           HE1      MET  92   0.633   1.670  -2.091
  735    HE2  MET  92           HE2      MET  92   1.663   0.552  -1.176
  736    HE3  MET  92           HE3      MET  92   1.923   2.307  -1.049
  737    H    ILE  93           H        ILE  93   1.556  -1.630  -7.884
  738    HA   ILE  93           HA       ILE  93   3.588  -0.984  -9.860
  739    HB   ILE  93           HB       ILE  93   1.424  -3.120  -9.846
  740   HG12  ILE  93          HG12      ILE  93   4.388  -3.502  -9.208
  741   HG13  ILE  93          HG13      ILE  93   3.227  -3.126  -7.951
  742   HG21  ILE  93          HG21      ILE  93   2.870  -4.304 -11.508
  743   HG22  ILE  93          HG22      ILE  93   2.288  -2.769 -12.142
  744   HG23  ILE  93          HG23      ILE  93   3.959  -2.910 -11.543
  745   HD11  ILE  93          HD11      ILE  93   1.884  -5.140  -8.578
  746   HD12  ILE  93          HD12      ILE  93   3.171  -5.591  -9.720
  747   HD13  ILE  93          HD13      ILE  93   3.521  -5.490  -7.985
  748    H    SER  94           H        SER  94   0.012  -0.848  -9.964
  749    HA   SER  94           HA       SER  94  -0.092  -0.132 -12.755
  750    HB2  SER  94           HB2      SER  94  -1.915  -1.289 -11.581
  751    HB3  SER  94           HB3      SER  94  -2.129   0.101 -10.508
  752    HG   SER  94           HG       SER  94  -2.748  -0.119 -13.268
  753    H    GLN  95           H        GLN  95  -0.473   1.883  -9.782
  754    HA   GLN  95           HA       GLN  95  -0.940   4.267 -11.507
  755    HB2  GLN  95           HB2      GLN  95  -1.338   3.829  -8.523
  756    HB3  GLN  95           HB3      GLN  95  -1.806   5.264  -9.427
  757    HG2  GLN  95           HG2      GLN  95  -2.968   2.462  -9.794
  758    HG3  GLN  95           HG3      GLN  95  -3.746   3.823  -9.002
  759   HE21  GLN  95          HE21      GLN  95  -3.340   2.236 -12.076
  760   HE22  GLN  95          HE22      GLN  95  -4.077   3.520 -13.020
  761    H    LEU  96           H        LEU  96   1.336   3.178  -8.939
  762    HA   LEU  96           HA       LEU  96   2.762   5.778  -9.113
  763    HB2  LEU  96           HB2      LEU  96   3.433   3.358  -7.406
  764    HB3  LEU  96           HB3      LEU  96   4.076   4.970  -7.261
  765    HG   LEU  96           HG       LEU  96   1.208   4.139  -6.658
  766   HD11  LEU  96          HD11      LEU  96   3.468   5.155  -4.881
  767   HD12  LEU  96          HD12      LEU  96   2.855   3.495  -4.970
  768   HD13  LEU  96          HD13      LEU  96   1.815   4.783  -4.350
  769   HD21  LEU  96          HD21      LEU  96   2.474   6.916  -6.558
  770   HD22  LEU  96          HD22      LEU  96   0.910   6.487  -5.835
  771   HD23  LEU  96          HD23      LEU  96   1.118   6.403  -7.585
  772    H    GLY  97           H        GLY  97   2.914   2.747 -10.673
  773    HA2  GLY  97           HA2      GLY  97   4.312   2.044 -12.384
  774    HA3  GLY  97           HA3      GLY  97   5.314   3.501 -12.159
  775    H    LEU  98           H        LEU  98   4.761   1.578  -9.309
  776    HA   LEU  98           HA       LEU  98   7.597   1.148  -9.017
  777    HB2  LEU  98           HB2      LEU  98   5.170   0.315  -7.404
  778    HB3  LEU  98           HB3      LEU  98   6.787  -0.165  -6.935
  779    HG   LEU  98           HG       LEU  98   6.143   2.774  -7.429
  780   HD11  LEU  98          HD11      LEU  98   4.519   2.046  -5.791
  781   HD12  LEU  98          HD12      LEU  98   5.771   2.999  -4.982
  782   HD13  LEU  98          HD13      LEU  98   5.764   1.225  -4.843
  783   HD21  LEU  98          HD21      LEU  98   8.050   3.053  -5.821
  784   HD22  LEU  98          HD22      LEU  98   8.528   2.206  -7.295
  785   HD23  LEU  98          HD23      LEU  98   8.262   1.296  -5.793
  786    H    GLN  99           H        GLN  99   8.761  -0.810  -8.956
  787    HA   GLN  99           HA       GLN  99   7.836  -2.668 -11.041
  788    HB2  GLN  99           HB2      GLN  99  10.460  -2.510  -9.494
  789    HB3  GLN  99           HB3      GLN  99  10.142  -3.569 -10.870
  790    HG2  GLN  99           HG2      GLN  99  10.192  -0.514 -10.917
  791    HG3  GLN  99           HG3      GLN  99  11.417  -1.593 -11.563
  792   HE21  GLN  99          HE22      GLN  99   8.369   0.023 -12.295
  793   HE22  GLN  99          HE21      GLN  99   8.186  -0.719 -13.871
  794    H    LYS 100           H        LYS 100   7.149  -4.737 -10.787
  795    HA   LYS 100           HA       LYS 100   5.973  -5.574  -8.430
  796    HB2  LYS 100           HB2      LYS 100   5.381  -6.487 -10.589
  797    HB3  LYS 100           HB3      LYS 100   6.997  -7.141 -10.829
  798    HG2  LYS 100           HG2      LYS 100   5.445  -8.925 -10.330
  799    HG3  LYS 100           HG3      LYS 100   6.650  -8.803  -9.056
  800    HD2  LYS 100           HD2      LYS 100   4.958  -7.571  -7.638
  801    HD3  LYS 100           HD3      LYS 100   3.768  -7.813  -8.939
  802    HE2  LYS 100           HE2      LYS 100   4.062 -10.268  -8.744
  803    HE3  LYS 100           HE3      LYS 100   5.259 -10.031  -7.465
  804    HZ1  LYS 100           HZ1      LYS 100   3.074 -10.516  -6.549
  805    HZ2  LYS 100           HZ2      LYS 100   2.405  -9.228  -7.298
  806    HZ3  LYS 100           HZ3      LYS 100   3.516  -9.002  -6.113
  807    H    LYS 101           H        LYS 101   9.227  -6.498  -9.575
  808    HA   LYS 101           HA       LYS 101   9.862  -8.370  -7.543
  809    HB2  LYS 101           HB2      LYS 101  12.123  -8.197  -8.348
  810    HB3  LYS 101           HB3      LYS 101  11.015  -8.138  -9.718
  811    HG2  LYS 101           HG2      LYS 101  11.274  -5.619  -9.753
  812    HG3  LYS 101           HG3      LYS 101  12.468  -5.772  -8.448
  813    HD2  LYS 101           HD2      LYS 101  13.887  -7.186  -9.899
  814    HD3  LYS 101           HD3      LYS 101  12.700  -7.030 -11.213
  815    HE2  LYS 101           HE2      LYS 101  12.999  -4.562 -11.192
  816    HE3  LYS 101           HE3      LYS 101  14.164  -4.707  -9.870
  817    HZ1  LYS 101           HZ1      LYS 101  14.520  -5.858 -12.586
  818    HZ2  LYS 101           HZ2      LYS 101  15.598  -5.991 -11.363
  819    HZ3  LYS 101           HZ3      LYS 101  15.279  -4.528 -12.016
  820    H    ASN 102           H        ASN 102   9.817  -4.881  -7.266
  821    HA   ASN 102           HA       ASN 102  11.533  -4.799  -4.883
  822    HB2  ASN 102           HB2      ASN 102   9.767  -2.709  -6.236
  823    HB3  ASN 102           HB3      ASN 102  10.715  -2.418  -4.794
  824   HD21  ASN 102          HD22      ASN 102  12.476  -1.211  -5.288
  825   HD22  ASN 102          HD21      ASN 102  13.469  -1.452  -6.720
  826    H    ILE 103           H        ILE 103   8.251  -5.744  -5.374
  827    HA   ILE 103           HA       ILE 103   7.463  -4.816  -2.638
  828    HB   ILE 103           HB       ILE 103   5.607  -5.774  -4.834
  829   HG12  ILE 103          HG12      ILE 103   6.456  -2.930  -4.112
  830   HG13  ILE 103          HG13      ILE 103   6.718  -3.757  -5.649
  831   HG21  ILE 103          HG21      ILE 103   3.884  -4.749  -3.370
  832   HG22  ILE 103          HG22      ILE 103   4.776  -5.965  -2.482
  833   HG23  ILE 103          HG23      ILE 103   5.138  -4.245  -2.220
  834   HD11  ILE 103          HD11      ILE 103   4.920  -2.261  -5.986
  835   HD12  ILE 103          HD12      ILE 103   4.218  -3.893  -5.933
  836   HD13  ILE 103          HD13      ILE 103   4.077  -2.809  -4.526
  837    H    LYS 104           H        LYS 104   7.379  -6.168  -1.082
  838    HA   LYS 104           HA       LYS 104   7.157  -9.116  -1.527
  839    HB2  LYS 104           HB2      LYS 104   7.962  -7.523   0.941
  840    HB3  LYS 104           HB3      LYS 104   7.931  -9.282   0.799
  841    HG2  LYS 104           HG2      LYS 104   9.832  -7.392  -0.634
  842    HG3  LYS 104           HG3      LYS 104  10.189  -8.467   0.719
  843    HD2  LYS 104           HD2      LYS 104   9.472 -10.417  -0.822
  844    HD3  LYS 104           HD3      LYS 104   9.543  -9.231  -2.149
  845    HE2  LYS 104           HE2      LYS 104  11.917  -8.694  -1.393
  846    HE3  LYS 104           HE3      LYS 104  11.785 -10.026  -0.236
  847    HZ1  LYS 104           HZ1      LYS 104  11.570 -10.313  -3.183
  848    HZ2  LYS 104           HZ2      LYS 104  11.446 -11.541  -2.097
  849    HZ3  LYS 104           HZ3      LYS 104  12.858 -10.754  -2.266
  850    H    ILE 105           H        ILE 105   5.394 -10.189  -0.825
  851    HA   ILE 105           HA       ILE 105   3.241  -8.718   0.676
  852    HB   ILE 105           HB       ILE 105   3.050 -11.016  -1.315
  853   HG12  ILE 105          HG12      ILE 105   1.940  -8.160  -1.339
  854   HG13  ILE 105          HG13      ILE 105   3.285  -8.750  -2.315
  855   HG21  ILE 105          HG21      ILE 105   0.896  -9.765   0.432
  856   HG22  ILE 105          HG22      ILE 105   0.594 -10.953  -0.858
  857   HG23  ILE 105          HG23      ILE 105   1.502 -11.429   0.560
  858   HD11  ILE 105          HD11      ILE 105   1.699 -10.393  -3.405
  859   HD12  ILE 105          HD12      ILE 105   0.365  -9.542  -2.582
  860   HD13  ILE 105          HD13      ILE 105   1.381  -8.683  -3.738
  861    H    HIS 106           H        HIS 106   2.852  -9.348   2.647
  862    HA   HIS 106           HA       HIS 106   3.735 -12.046   3.623
  863    HB2  HIS 106           HB2      HIS 106   3.874  -9.457   5.193
  864    HB3  HIS 106           HB3      HIS 106   4.493 -11.030   5.670
  865    HD2  HIS 106           HD2      HIS 106   5.377  -7.959   3.594
  866    HE1  HIS 106           HE1      HIS 106   8.833 -10.441   3.630
  867    HE2  HIS 106           HE2      HIS 106   7.953  -8.122   3.076
  868    H    GLY 107           H        GLY 107   2.681 -11.695   6.250
  869    HA2  GLY 107           HA2      GLY 107   0.640 -11.270   7.451
  870    HA3  GLY 107           HA3      GLY 107  -0.254 -11.225   5.920
  871    H    PHE 108           H        PHE 108  -1.773 -12.710   6.634
  872    HA   PHE 108           HA       PHE 108  -1.059 -15.207   7.896
  873    HB2  PHE 108           HB2      PHE 108  -3.387 -15.599   8.073
  874    HB3  PHE 108           HB3      PHE 108  -3.062 -13.918   8.458
  875    HD1  PHE 108           HD1      PHE 108  -4.512 -16.212   5.892
  876    HD2  PHE 108           HD2      PHE 108  -4.087 -12.135   7.218
  877    HE1  PHE 108           HE1      PHE 108  -6.294 -15.511   4.311
  878    HE2  PHE 108           HE2      PHE 108  -5.871 -11.440   5.643
  879    HZ   PHE 108           HZ       PHE 108  -6.970 -13.119   4.174
  Start of MODEL   14
    1    H1   MET   1           H        MET   1  -4.995 -34.708  23.572
    2    H2   MET   1           H2       MET   1  -4.111 -33.890  24.680
    3    H3   MET   1           H3       MET   1  -4.977 -35.181  25.120
    4    HA   MET   1           HA       MET   1  -3.571 -36.678  23.779
    5    HB2  MET   1           HB2      MET   1  -1.967 -34.138  23.275
    6    HB3  MET   1           HB3      MET   1  -1.420 -35.777  22.921
    7    HG2  MET   1           HG2      MET   1  -3.330 -36.085  21.354
    8    HG3  MET   1           HG3      MET   1  -3.832 -34.421  21.662
    9    HE1  MET   1           HE1      MET   1  -0.072 -35.696  19.289
   10    HE2  MET   1           HE2      MET   1  -0.150 -35.980  21.034
   11    HE3  MET   1           HE3      MET   1  -1.297 -36.798  19.947
   12    H    SER   2           H        SER   2  -1.689 -37.730  24.653
   13    HA   SER   2           HA       SER   2  -1.258 -37.204  27.487
   14    HB2  SER   2           HB2      SER   2   0.059 -39.254  25.674
   15    HB3  SER   2           HB3      SER   2  -0.053 -39.311  27.437
   16    HG   SER   2           HG       SER   2  -2.295 -39.615  27.263
   17    H    ILE   3           H        ILE   3   0.385 -36.009  24.752
   18    HA   ILE   3           HA       ILE   3   3.106 -36.067  25.759
   19    HB   ILE   3           HB       ILE   3   3.650 -34.595  23.916
   20   HG12  ILE   3          HG12      ILE   3   0.675 -34.532  23.243
   21   HG13  ILE   3          HG13      ILE   3   1.599 -33.183  23.908
   22   HG21  ILE   3          HG21      ILE   3   1.802 -36.834  22.986
   23   HG22  ILE   3          HG22      ILE   3   3.226 -36.184  22.149
   24   HG23  ILE   3          HG23      ILE   3   3.432 -37.081  23.652
   25   HD11  ILE   3          HD11      ILE   3   3.085 -33.237  21.903
   26   HD12  ILE   3          HD12      ILE   3   2.023 -34.478  21.194
   27   HD13  ILE   3          HD13      ILE   3   1.385 -32.862  21.538
   28    H    GLU   4           H        GLU   4   4.442 -34.282  26.256
   29    HA   GLU   4           HA       GLU   4   3.246 -32.391  28.143
   30    HB2  GLU   4           HB2      GLU   4   5.539 -31.702  28.581
   31    HB3  GLU   4           HB3      GLU   4   5.311 -33.425  28.796
   32    HG2  GLU   4           HG2      GLU   4   6.473 -32.326  26.204
   33    HG3  GLU   4           HG3      GLU   4   7.463 -32.519  27.641
   34    H    ASN   5           H        ASN   5   3.590 -30.112  28.081
   35    HA   ASN   5           HA       ASN   5   4.167 -28.817  25.500
   36    HB2  ASN   5           HB2      ASN   5   1.740 -29.599  25.524
   37    HB3  ASN   5           HB3      ASN   5   1.455 -28.478  26.854
   38   HD21  ASN   5          HD21      ASN   5   2.995 -28.472  23.553
   39   HD22  ASN   5          HD22      ASN   5   2.269 -26.949  23.072
   40    H    LEU   6           H        LEU   6   5.493 -28.782  28.061
   41    HA   LEU   6           HA       LEU   6   4.876 -26.429  29.595
   42    HB2  LEU   6           HB2      LEU   6   6.120 -28.598  30.229
   43    HB3  LEU   6           HB3      LEU   6   7.541 -27.897  29.469
   44    HG   LEU   6           HG       LEU   6   5.993 -26.734  31.834
   45   HD11  LEU   6          HD11      LEU   6   8.680 -28.175  31.731
   46   HD12  LEU   6          HD12      LEU   6   7.160 -28.848  32.361
   47   HD13  LEU   6          HD13      LEU   6   7.922 -27.475  33.179
   48   HD21  LEU   6          HD21      LEU   6   8.062 -25.311  32.155
   49   HD22  LEU   6          HD22      LEU   6   7.093 -24.880  30.755
   50   HD23  LEU   6          HD23      LEU   6   8.597 -25.814  30.536
   51    H    LYS   7           H        LYS   7   5.168 -24.372  29.005
   52    HA   LYS   7           HA       LYS   7   6.574 -23.610  26.612
   53    HB2  LYS   7           HB2      LYS   7   4.512 -22.530  27.330
   54    HB3  LYS   7           HB3      LYS   7   5.247 -22.040  28.853
   55    HG2  LYS   7           HG2      LYS   7   5.068 -20.143  27.381
   56    HG3  LYS   7           HG3      LYS   7   6.765 -20.503  27.673
   57    HD2  LYS   7           HD2      LYS   7   6.924 -21.586  25.437
   58    HD3  LYS   7           HD3      LYS   7   5.197 -21.249  25.161
   59    HE2  LYS   7           HE2      LYS   7   5.627 -18.824  25.376
   60    HE3  LYS   7           HE3      LYS   7   7.327 -19.137  25.749
   61    HZ1  LYS   7           HZ1      LYS   7   6.012 -19.804  23.172
   62    HZ2  LYS   7           HZ2      LYS   7   7.589 -20.068  23.528
   63    HZ3  LYS   7           HZ3      LYS   7   7.019 -18.542  23.421
   64    H    SER   8           H        SER   8   8.671 -23.140  26.338
   65    HA   SER   8           HA       SER   8  10.469 -22.463  28.584
   66    HB2  SER   8           HB2      SER   8  10.970 -22.579  25.585
   67    HB3  SER   8           HB3      SER   8  12.196 -22.351  26.843
   68    HG   SER   8           HG       SER   8  12.039 -24.557  26.164
   69    H    PHE   9           H        PHE   9  11.518 -20.463  28.851
   70    HA   PHE   9           HA       PHE   9  10.378 -18.110  27.395
   71    HB2  PHE   9           HB2      PHE   9  10.910 -18.420  30.375
   72    HB3  PHE   9           HB3      PHE   9  10.478 -16.915  29.581
   73    HD1  PHE   9           HD1      PHE   9   8.225 -16.671  28.446
   74    HD2  PHE   9           HD2      PHE   9   9.192 -20.022  30.982
   75    HE1  PHE   9           HE1      PHE   9   5.808 -17.158  28.728
   76    HE2  PHE   9           HE2      PHE   9   6.775 -20.507  31.258
   77    HZ   PHE   9           HZ       PHE   9   5.077 -19.072  30.140
   78    H    ASP  10           H        ASP  10  11.670 -16.203  27.442
   79    HA   ASP  10           HA       ASP  10  14.530 -16.330  28.015
   80    HB2  ASP  10           HB2      ASP  10  14.297 -17.553  25.856
   81    HB3  ASP  10           HB3      ASP  10  13.501 -16.149  25.152
   82    HA   PRO  11           HA       PRO  11  13.647 -12.071  28.795
   83    HB2  PRO  11           HB2      PRO  11  16.403 -11.487  27.678
   84    HB3  PRO  11           HB3      PRO  11  15.634 -10.861  29.171
   85    HG2  PRO  11           HG2      PRO  11  17.391 -12.904  29.325
   86    HG3  PRO  11           HG3      PRO  11  15.860 -12.987  30.257
   87    HD2  PRO  11           HD2      PRO  11  16.533 -14.301  27.618
   88    HD3  PRO  11           HD3      PRO  11  15.702 -14.981  29.050
   89    H    PHE  12           H        PHE  12  15.320 -12.427  25.617
   90    HA   PHE  12           HA       PHE  12  13.289 -11.327  24.036
   91    HB2  PHE  12           HB2      PHE  12  14.252  -9.188  23.328
   92    HB3  PHE  12           HB3      PHE  12  13.739  -9.136  24.989
   93    HD1  PHE  12           HD1      PHE  12  15.402  -8.973  26.838
   94    HD2  PHE  12           HD2      PHE  12  16.618  -8.992  22.700
   95    HE1  PHE  12           HE1      PHE  12  17.642  -8.128  27.491
   96    HE2  PHE  12           HE2      PHE  12  18.856  -8.143  23.358
   97    HZ   PHE  12           HZ       PHE  12  19.374  -7.713  25.753
   98    H    ALA  13           H        ALA  13  13.676 -11.615  21.899
   99    HA   ALA  13           HA       ALA  13  16.339 -12.665  21.031
  100    HB1  ALA  13           HB1      ALA  13  15.082 -13.812  19.250
  101    HB2  ALA  13           HB2      ALA  13  14.483 -14.288  20.850
  102    HB3  ALA  13           HB3      ALA  13  13.560 -13.132  19.863
  103    H    ASP  14           H        ASP  14  17.220 -11.934  19.084
  104    HA   ASP  14           HA       ASP  14  16.471  -9.208  18.248
  105    HB2  ASP  14           HB2      ASP  14  18.580  -9.165  17.125
  106    HB3  ASP  14           HB3      ASP  14  18.818  -9.756  18.763
  107    H    THR  15           H        THR  15  16.226  -8.589  16.070
  108    HA   THR  15           HA       THR  15  15.450 -10.651  14.056
  109    HB   THR  15           HB       THR  15  13.828  -8.167  14.763
  110    HG1  THR  15           HG1      THR  15  12.302  -9.694  15.426
  111   HG21  THR  15          HG21      THR  15  13.360 -10.349  12.673
  112   HG22  THR  15          HG22      THR  15  13.656  -8.623  12.356
  113   HG23  THR  15          HG23      THR  15  12.164  -9.125  13.152
  114    H    GLY  16           H        GLY  16  16.175 -10.196  12.051
  115    HA2  GLY  16           HA2      GLY  16  17.823  -7.778  11.579
  116    HA3  GLY  16           HA3      GLY  16  17.673  -9.193  10.520
  117    H    ASP  17           H        ASP  17  17.017  -6.020  10.682
  118    HA   ASP  17           HA       ASP  17  15.221  -5.969   8.427
  119    HB2  ASP  17           HB2      ASP  17  13.609  -6.381  10.326
  120    HB3  ASP  17           HB3      ASP  17  14.182  -4.897  11.083
  121    H    ASP  18           H        ASP  18  14.826  -3.719   7.695
  122    HA   ASP  18           HA       ASP  18  16.384  -1.531   8.777
  123    HB2  ASP  18           HB2      ASP  18  17.991  -1.254   7.049
  124    HB3  ASP  18           HB3      ASP  18  18.192  -2.866   7.700
  125    H    GLU  19           H        GLU  19  16.295   0.431   7.396
  126    HA   GLU  19           HA       GLU  19  14.098   0.638   5.489
  127    HB2  GLU  19           HB2      GLU  19  12.949   0.578   7.697
  128    HB3  GLU  19           HB3      GLU  19  13.954   1.912   8.256
  129    HG2  GLU  19           HG2      GLU  19  11.746   2.705   7.714
  130    HG3  GLU  19           HG3      GLU  19  12.890   3.416   6.592
  131    H    THR  20           H        THR  20  13.993   2.674   4.445
  132    HA   THR  20           HA       THR  20  15.734   4.876   5.061
  133    HB   THR  20           HB       THR  20  17.448   3.335   4.172
  134    HG1  THR  20           HG1      THR  20  18.300   4.899   2.807
  135   HG21  THR  20          HG21      THR  20  15.953   3.581   1.517
  136   HG22  THR  20          HG22      THR  20  16.120   2.101   2.485
  137   HG23  THR  20          HG23      THR  20  17.551   2.853   1.769
  138    H    ALA  21           H        ALA  21  15.591   6.607   3.484
  139    HA   ALA  21           HA       ALA  21  12.835   7.036   2.735
  140    HB1  ALA  21           HB1      ALA  21  14.302   8.803   3.644
  141    HB2  ALA  21           HB2      ALA  21  15.366   8.674   2.223
  142    HB3  ALA  21           HB3      ALA  21  13.702   9.259   2.040
  143    H    THR  22           H        THR  22  15.607   5.901   0.917
  144    HA   THR  22           HA       THR  22  14.251   6.394  -1.693
  145    HB   THR  22           HB       THR  22  16.531   6.076  -2.658
  146    HG1  THR  22           HG1      THR  22  18.261   6.267  -1.116
  147   HG21  THR  22          HG21      THR  22  17.368   8.272  -2.002
  148   HG22  THR  22          HG22      THR  22  16.346   8.278  -0.548
  149   HG23  THR  22          HG23      THR  22  15.606   8.337  -2.163
  150    H    SER  23           H        SER  23  16.750   4.025  -1.432
  151    HA   SER  23           HA       SER  23  14.996   2.129  -2.817
  152    HB2  SER  23           HB2      SER  23  17.951   1.991  -2.143
  153    HB3  SER  23           HB3      SER  23  17.067   0.859  -3.183
  154    HG   SER  23           HG       SER  23  18.138   2.517  -4.394
  155    H    ASN  24           H        ASN  24  13.652   0.919  -1.616
  156    HA   ASN  24           HA       ASN  24  14.805  -1.169   0.046
  157    HB2  ASN  24           HB2      ASN  24  14.296   0.785   1.638
  158    HB3  ASN  24           HB3      ASN  24  12.597   0.564   1.240
  159   HD21  ASN  24          HD21      ASN  24  12.567   0.261   3.727
  160   HD22  ASN  24          HD22      ASN  24  12.906  -1.362   4.307
  161    H    TYR  25           H        TYR  25  13.170  -2.878   0.512
  162    HA   TYR  25           HA       TYR  25  11.258  -3.314  -1.677
  163    HB2  TYR  25           HB2      TYR  25  11.942  -4.814   0.874
  164    HB3  TYR  25           HB3      TYR  25  10.597  -5.273  -0.151
  165    HD1  TYR  25           HD2      TYR  25  10.988  -5.914  -2.559
  166    HD2  TYR  25           HD1      TYR  25  14.178  -5.512   0.313
  167    HE1  TYR  25           HE2      TYR  25  12.464  -7.334  -3.990
  168    HE2  TYR  25           HE1      TYR  25  15.650  -6.923  -1.111
  169    HH   TYR  25           HH       TYR  25  15.831  -8.142  -3.058
  170    H    ILE  26           H        ILE  26   9.081  -3.062  -1.608
  171    HA   ILE  26           HA       ILE  26   7.831  -1.680   0.722
  172    HB   ILE  26           HB       ILE  26   6.599  -2.497  -1.935
  173   HG12  ILE  26          HG12      ILE  26   7.915   0.069  -0.999
  174   HG13  ILE  26          HG13      ILE  26   8.297  -0.890  -2.422
  175   HG21  ILE  26          HG21      ILE  26   4.992  -2.263  -0.003
  176   HG22  ILE  26          HG22      ILE  26   5.587  -0.611   0.255
  177   HG23  ILE  26          HG23      ILE  26   4.728  -1.048  -1.242
  178   HD11  ILE  26          HD11      ILE  26   7.191   1.121  -3.116
  179   HD12  ILE  26          HD12      ILE  26   6.092  -0.247  -3.419
  180   HD13  ILE  26          HD13      ILE  26   5.831   0.841  -2.030
  181    H    HIS  27           H        HIS  27   7.209  -2.927   2.352
  182    HA   HIS  27           HA       HIS  27   6.476  -5.784   1.859
  183    HB2  HIS  27           HB2      HIS  27   7.097  -4.336   4.452
  184    HB3  HIS  27           HB3      HIS  27   6.729  -6.046   4.264
  185    HD2  HIS  27           HD2      HIS  27   9.558  -3.524   3.920
  186    HE1  HIS  27           HE1      HIS  27  11.236  -7.322   2.996
  187    HE2  HIS  27           HE2      HIS  27  11.765  -4.873   3.474
  188    H    ILE  28           H        ILE  28   4.386  -6.182   1.611
  189    HA   ILE  28           HA       ILE  28   2.337  -4.549   3.099
  190    HB   ILE  28           HB       ILE  28   1.906  -6.319   0.660
  191   HG12  ILE  28          HG12      ILE  28   1.989  -3.265   0.716
  192   HG13  ILE  28          HG13      ILE  28   3.329  -4.261   0.151
  193   HG21  ILE  28          HG21      ILE  28   0.131  -4.294   2.125
  194   HG22  ILE  28          HG22      ILE  28  -0.323  -5.137   0.639
  195   HG23  ILE  28          HG23      ILE  28  -0.079  -6.058   2.120
  196   HD11  ILE  28          HD11      ILE  28   1.899  -5.268  -1.593
  197   HD12  ILE  28          HD12      ILE  28   0.584  -4.171  -1.123
  198   HD13  ILE  28          HD13      ILE  28   2.097  -3.511  -1.758
  199    H    ARG  29           H        ARG  29   1.855  -5.493   4.947
  200    HA   ARG  29           HA       ARG  29   1.788  -8.480   5.194
  201    HB2  ARG  29           HB2      ARG  29   2.458  -6.568   7.454
  202    HB3  ARG  29           HB3      ARG  29   2.676  -8.315   7.370
  203    HG2  ARG  29           HG2      ARG  29   4.363  -7.734   5.425
  204    HG3  ARG  29           HG3      ARG  29   4.326  -6.110   6.112
  205    HD2  ARG  29           HD2      ARG  29   4.959  -7.098   8.345
  206    HD3  ARG  29           HD3      ARG  29   5.032  -8.690   7.590
  207    HE   ARG  29           HE       ARG  29   7.054  -8.173   6.593
  208   HH11  ARG  29          HH11      ARG  29   5.756  -5.155   7.958
  209   HH12  ARG  29          HH12      ARG  29   7.287  -4.336   7.696
  210   HH21  ARG  29          HH21      ARG  29   8.973  -6.955   6.336
  211   HH22  ARG  29          HH22      ARG  29   8.970  -5.277   6.833
  212    H    ILE  30           H        ILE  30   0.511  -9.103   7.277
  213    HA   ILE  30           HA       ILE  30  -1.898  -7.338   7.641
  214    HB   ILE  30           HB       ILE  30  -1.781 -10.339   8.133
  215   HG12  ILE  30          HG12      ILE  30  -2.975  -8.760   5.804
  216   HG13  ILE  30          HG13      ILE  30  -1.610  -9.881   5.708
  217   HG21  ILE  30          HG21      ILE  30  -3.406  -9.068   9.536
  218   HG22  ILE  30          HG22      ILE  30  -4.093  -8.336   8.072
  219   HG23  ILE  30          HG23      ILE  30  -4.240 -10.075   8.377
  220   HD11  ILE  30          HD11      ILE  30  -3.152 -11.739   6.457
  221   HD12  ILE  30          HD12      ILE  30  -4.508 -10.601   6.221
  222   HD13  ILE  30          HD13      ILE  30  -3.484 -11.053   4.857
  223    H    GLN  31           H        GLN  31  -2.393  -6.713   9.683
  224    HA   GLN  31           HA       GLN  31  -0.243  -6.982  11.688
  225    HB2  GLN  31           HB2      GLN  31  -1.247  -4.779  11.099
  226    HB3  GLN  31           HB3      GLN  31  -2.805  -5.344  11.700
  227    HG2  GLN  31           HG2      GLN  31  -1.657  -3.866  13.304
  228    HG3  GLN  31           HG3      GLN  31  -1.958  -5.453  13.984
  229   HE21  GLN  31          HE21      GLN  31   0.593  -3.231  12.828
  230   HE22  GLN  31          HE22      GLN  31   1.918  -4.190  13.455
  231    H    GLN  32           H        GLN  32  -0.616  -7.592  13.875
  232    HA   GLN  32           HA       GLN  32  -1.983 -10.074  14.107
  233    HB2  GLN  32           HB2      GLN  32  -1.069 -10.119  16.336
  234    HB3  GLN  32           HB3      GLN  32   0.121  -9.412  15.249
  235    HG2  GLN  32           HG2      GLN  32  -0.970  -7.102  16.088
  236    HG3  GLN  32           HG3      GLN  32  -1.502  -8.096  17.438
  237   HE21  GLN  32          HE21      GLN  32   1.325  -6.791  15.698
  238   HE22  GLN  32          HE22      GLN  32   2.474  -7.109  17.002
  239    H    ARG  33           H        ARG  33  -3.678 -10.762  15.469
  240    HA   ARG  33           HA       ARG  33  -5.965  -9.030  15.372
  241    HB2  ARG  33           HB2      ARG  33  -6.024 -11.470  14.975
  242    HB3  ARG  33           HB3      ARG  33  -5.647 -11.761  16.679
  243    HG2  ARG  33           HG2      ARG  33  -7.758 -10.640  17.343
  244    HG3  ARG  33           HG3      ARG  33  -8.107 -10.272  15.643
  245    HD2  ARG  33           HD2      ARG  33  -8.184 -12.690  15.128
  246    HD3  ARG  33           HD3      ARG  33  -7.818 -13.081  16.807
  247    HE   ARG  33           HE       ARG  33 -10.363 -12.140  15.677
  248   HH11  ARG  33          HH11      ARG  33  -8.616 -12.634  18.720
  249   HH12  ARG  33          HH12      ARG  33 -10.080 -12.650  19.657
  250   HH21  ARG  33          HH21      ARG  33 -12.201 -12.171  16.946
  251   HH22  ARG  33          HH22      ARG  33 -12.078 -12.389  18.666
  252    H    ASN  34           H        ASN  34  -6.724  -7.693  16.799
  253    HA   ASN  34           HA       ASN  34  -6.629  -7.933  19.669
  254    HB2  ASN  34           HB2      ASN  34  -4.267  -7.245  19.308
  255    HB3  ASN  34           HB3      ASN  34  -4.805  -5.838  18.394
  256   HD21  ASN  34          HD21      ASN  34  -4.907  -7.380  21.648
  257   HD22  ASN  34          HD22      ASN  34  -5.147  -5.874  22.513
  258    H    GLY  35           H        GLY  35  -6.905  -5.614  16.937
  259    HA2  GLY  35           HA2      GLY  35  -9.097  -4.083  18.155
  260    HA3  GLY  35           HA3      GLY  35  -8.452  -3.916  16.512
  261    H    ARG  36           H        ARG  36 -11.057  -3.693  16.715
  262    HA   ARG  36           HA       ARG  36 -12.601  -6.112  16.673
  263    HB2  ARG  36           HB2      ARG  36 -13.246  -3.306  15.681
  264    HB3  ARG  36           HB3      ARG  36 -14.416  -4.624  15.812
  265    HG2  ARG  36           HG2      ARG  36 -13.968  -4.779  18.267
  266    HG3  ARG  36           HG3      ARG  36 -12.836  -3.429  18.133
  267    HD2  ARG  36           HD2      ARG  36 -14.898  -2.547  18.943
  268    HD3  ARG  36           HD3      ARG  36 -14.690  -1.988  17.274
  269    HE   ARG  36           HE       ARG  36 -16.221  -4.441  17.396
  270   HH11  ARG  36          HH11      ARG  36 -16.615  -0.969  17.950
  271   HH12  ARG  36          HH12      ARG  36 -18.324  -1.020  17.636
  272   HH21  ARG  36          HH22      ARG  36 -18.428  -4.435  16.993
  273   HH22  ARG  36          HH21      ARG  36 -19.333  -2.956  17.107
  274    H    LYS  37           H        LYS  37 -10.778  -4.571  14.145
  275    HA   LYS  37           HA       LYS  37 -11.806  -6.514  12.119
  276    HB2  LYS  37           HB2      LYS  37 -11.245  -3.540  11.710
  277    HB3  LYS  37           HB3      LYS  37 -11.580  -4.675  10.409
  278    HG2  LYS  37           HG2      LYS  37 -13.543  -3.943  12.628
  279    HG3  LYS  37           HG3      LYS  37 -13.516  -3.264  11.004
  280    HD2  LYS  37           HD2      LYS  37 -13.941  -5.508  10.030
  281    HD3  LYS  37           HD3      LYS  37 -14.016  -6.201  11.665
  282    HE2  LYS  37           HE2      LYS  37 -15.891  -4.673  12.229
  283    HE3  LYS  37           HE3      LYS  37 -15.828  -3.988  10.600
  284    HZ1  LYS  37           HZ1      LYS  37 -16.386  -6.192   9.726
  285    HZ2  LYS  37           HZ2      LYS  37 -17.536  -5.697  10.776
  286    HZ3  LYS  37           HZ3      LYS  37 -16.446  -6.824  11.235
  287    H    THR  38           H        THR  38 -10.358  -7.012  10.419
  288    HA   THR  38           HA       THR  38  -7.558  -7.285  11.079
  289    HB   THR  38           HB       THR  38  -8.988  -7.641   8.407
  290    HG1  THR  38           HG1      THR  38  -9.193  -9.790   9.136
  291   HG21  THR  38          HG21      THR  38  -7.196  -9.349   8.008
  292   HG22  THR  38          HG22      THR  38  -6.380  -8.807   9.492
  293   HG23  THR  38          HG23      THR  38  -6.558  -7.707   8.101
  294    H    LEU  39           H        LEU  39  -5.767  -6.223  10.189
  295    HA   LEU  39           HA       LEU  39  -6.256  -3.834   8.475
  296    HB2  LEU  39           HB2      LEU  39  -4.400  -4.000  10.880
  297    HB3  LEU  39           HB3      LEU  39  -4.428  -2.672   9.731
  298    HG   LEU  39           HG       LEU  39  -6.751  -3.448  11.553
  299   HD11  LEU  39          HD11      LEU  39  -4.748  -1.160  11.742
  300   HD12  LEU  39          HD12      LEU  39  -4.797  -2.590  12.800
  301   HD13  LEU  39          HD13      LEU  39  -6.135  -1.427  12.819
  302   HD21  LEU  39          HD21      LEU  39  -6.341  -1.040   9.711
  303   HD22  LEU  39          HD22      LEU  39  -7.642  -1.196  10.912
  304   HD23  LEU  39          HD23      LEU  39  -7.570  -2.312   9.552
  305    H    THR  40           H        THR  40  -4.998  -3.670   6.792
  306    HA   THR  40           HA       THR  40  -2.657  -5.455   6.327
  307    HB   THR  40           HB       THR  40  -4.278  -3.591   4.536
  308    HG1  THR  40           HG1      THR  40  -5.076  -5.652   5.189
  309   HG21  THR  40          HG21      THR  40  -2.934  -4.558   2.668
  310   HG22  THR  40          HG22      THR  40  -1.852  -5.327   3.848
  311   HG23  THR  40          HG23      THR  40  -1.933  -3.553   3.723
  312    H    THR  41           H        THR  41  -0.642  -4.693   6.706
  313    HA   THR  41           HA       THR  41  -0.221  -1.773   7.195
  314    HB   THR  41           HB       THR  41   1.927  -2.725   8.329
  315    HG1  THR  41           HG1      THR  41   1.528  -4.739   9.283
  316   HG21  THR  41          HG21      THR  41   0.123  -1.473   9.424
  317   HG22  THR  41          HG22      THR  41   0.667  -2.814  10.449
  318   HG23  THR  41          HG23      THR  41  -0.863  -2.947   9.542
  319    H    VAL  42           H        VAL  42   0.934  -0.653   5.907
  320    HA   VAL  42           HA       VAL  42   2.703  -2.003   3.886
  321    HB   VAL  42           HB       VAL  42   1.597   0.816   3.777
  322   HG11  VAL  42          HG11      VAL  42   3.666   0.511   2.457
  323   HG12  VAL  42          HG12      VAL  42   2.961  -0.914   1.663
  324   HG13  VAL  42          HG13      VAL  42   2.270   0.702   1.397
  325   HG21  VAL  42          HG21      VAL  42   0.590  -1.686   2.366
  326   HG22  VAL  42          HG22      VAL  42  -0.283  -0.767   3.614
  327   HG23  VAL  42          HG23      VAL  42   0.044  -0.014   2.055
  328    H    GLN  43           H        GLN  43   4.793  -1.830   4.142
  329    HA   GLN  43           HA       GLN  43   6.059   0.491   5.569
  330    HB2  GLN  43           HB2      GLN  43   5.967  -1.647   6.936
  331    HB3  GLN  43           HB3      GLN  43   6.854  -2.449   5.647
  332    HG2  GLN  43           HG2      GLN  43   8.765  -0.800   6.058
  333    HG3  GLN  43           HG3      GLN  43   7.848  -0.196   7.442
  334   HE21  GLN  43          HE21      GLN  43   8.837  -1.051   9.313
  335   HE22  GLN  43          HE22      GLN  43   9.510  -2.681   9.384
  336    H    GLY  44           H        GLY  44   8.248   0.993   4.748
  337    HA2  GLY  44           HA2      GLY  44  10.040   0.922   3.348
  338    HA3  GLY  44           HA3      GLY  44   9.397  -0.565   2.640
  339    H    VAL  45           H        VAL  45   7.050   1.734   2.212
  340    HA   VAL  45           HA       VAL  45   7.542   2.139  -0.575
  341    HB   VAL  45           HB       VAL  45   5.313   2.225   0.293
  342   HG11  VAL  45          HG11      VAL  45   5.689   3.431   2.442
  343   HG12  VAL  45          HG12      VAL  45   5.944   4.933   1.522
  344   HG13  VAL  45          HG13      VAL  45   4.374   4.116   1.478
  345   HG21  VAL  45          HG21      VAL  45   5.843   3.338  -1.859
  346   HG22  VAL  45          HG22      VAL  45   4.480   4.094  -1.027
  347   HG23  VAL  45          HG23      VAL  45   6.071   4.877  -0.998
  348    HA   PRO  46           HA       PRO  46  10.748   5.258  -0.445
  349    HB2  PRO  46           HB2      PRO  46   9.442   6.055  -3.052
  350    HB3  PRO  46           HB3      PRO  46  11.164   5.930  -2.683
  351    HG2  PRO  46           HG2      PRO  46   9.947   3.914  -3.997
  352    HG3  PRO  46           HG3      PRO  46  11.047   3.519  -2.638
  353    HD2  PRO  46           HD2      PRO  46   8.023   3.650  -2.620
  354    HD3  PRO  46           HD3      PRO  46   9.121   2.436  -1.895
  355    H    GLU  47           H        GLU  47  10.973   7.388   0.170
  356    HA   GLU  47           HA       GLU  47   8.652   8.609   1.310
  357    HB2  GLU  47           HB2      GLU  47  11.003   8.551   2.221
  358    HB3  GLU  47           HB3      GLU  47  11.462   9.755   1.011
  359    HG2  GLU  47           HG2      GLU  47   9.887  11.373   2.021
  360    HG3  GLU  47           HG3      GLU  47   9.322  10.139   3.155
  361    H    GLU  48           H        GLU  48  10.074   9.021  -1.815
  362    HA   GLU  48           HA       GLU  48   9.140  11.688  -2.396
  363    HB2  GLU  48           HB2      GLU  48   9.576  11.162  -4.701
  364    HB3  GLU  48           HB3      GLU  48  10.903  10.591  -3.695
  365    HG2  GLU  48           HG2      GLU  48   9.985   8.268  -3.834
  366    HG3  GLU  48           HG3      GLU  48   8.690   8.852  -4.884
  367    H    TYR  49           H        TYR  49   7.438   8.686  -2.035
  368    HA   TYR  49           HA       TYR  49   5.015   9.689  -3.433
  369    HB2  TYR  49           HB2      TYR  49   5.571   7.026  -2.087
  370    HB3  TYR  49           HB3      TYR  49   4.134   7.461  -2.992
  371    HD1  TYR  49           HD1      TYR  49   4.570   8.318  -5.483
  372    HD2  TYR  49           HD2      TYR  49   7.315   5.885  -3.214
  373    HE1  TYR  49           HE1      TYR  49   5.591   7.506  -7.599
  374    HE2  TYR  49           HE2      TYR  49   8.333   5.070  -5.330
  375    HH   TYR  49           HH       TYR  49   7.143   6.102  -8.553
  376    H    ASP  50           H        ASP  50   3.697  10.945  -2.287
  377    HA   ASP  50           HA       ASP  50   3.859  11.287   0.563
  378    HB2  ASP  50           HB2      ASP  50   3.272  13.146  -0.794
  379    HB3  ASP  50           HB3      ASP  50   1.962  12.272  -1.579
  380    H    LEU  51           H        LEU  51   3.040  10.087   2.113
  381    HA   LEU  51           HA       LEU  51   1.472   7.761   1.713
  382    HB2  LEU  51           HB2      LEU  51   1.832   9.379   4.267
  383    HB3  LEU  51           HB3      LEU  51   1.335   7.693   4.163
  384    HG   LEU  51           HG       LEU  51   4.072   8.860   3.523
  385   HD11  LEU  51          HD11      LEU  51   3.104   6.910   5.662
  386   HD12  LEU  51          HD12      LEU  51   3.509   8.623   5.913
  387   HD13  LEU  51          HD13      LEU  51   4.773   7.471   5.440
  388   HD21  LEU  51          HD21      LEU  51   4.871   6.576   3.134
  389   HD22  LEU  51          HD22      LEU  51   3.649   7.002   1.932
  390   HD23  LEU  51          HD23      LEU  51   3.227   5.936   3.297
  391    H    LYS  52           H        LYS  52   0.452  11.025   2.729
  392    HA   LYS  52           HA       LYS  52  -2.316  10.419   3.172
  393    HB2  LYS  52           HB2      LYS  52  -0.957  13.013   2.329
  394    HB3  LYS  52           HB3      LYS  52  -2.636  12.867   2.865
  395    HG2  LYS  52           HG2      LYS  52  -1.877  11.997   5.061
  396    HG3  LYS  52           HG3      LYS  52  -0.186  12.161   4.547
  397    HD2  LYS  52           HD2      LYS  52  -0.508  14.601   4.243
  398    HD3  LYS  52           HD3      LYS  52  -2.196  14.443   4.781
  399    HE2  LYS  52           HE2      LYS  52  -1.412  13.544   6.965
  400    HE3  LYS  52           HE3      LYS  52   0.267  13.692   6.429
  401    HZ1  LYS  52           HZ1      LYS  52  -0.399  15.589   7.779
  402    HZ2  LYS  52           HZ2      LYS  52  -1.620  15.961   6.760
  403    HZ3  LYS  52           HZ3      LYS  52  -0.067  16.098   6.263
  404    H    ARG  53           H        ARG  53  -0.549  11.066   0.148
  405    HA   ARG  53           HA       ARG  53  -2.924  11.143  -1.513
  406    HB2  ARG  53           HB2      ARG  53  -0.167  11.577  -1.925
  407    HB3  ARG  53           HB3      ARG  53  -0.486  10.117  -2.826
  408    HG2  ARG  53           HG2      ARG  53  -0.758  12.020  -4.275
  409    HG3  ARG  53           HG3      ARG  53  -2.327  11.242  -4.043
  410    HD2  ARG  53           HD2      ARG  53  -2.425  13.729  -4.022
  411    HD3  ARG  53           HD3      ARG  53  -3.058  13.005  -2.551
  412    HE   ARG  53           HE       ARG  53  -0.831  13.510  -1.469
  413   HH11  ARG  53          HH11      ARG  53  -1.804  15.592  -4.183
  414   HH12  ARG  53          HH12      ARG  53  -0.820  16.899  -3.594
  415   HH21  ARG  53          HH21      ARG  53   0.322  15.116  -0.814
  416   HH22  ARG  53          HH22      ARG  53   0.398  16.647  -1.675
  417    H    ILE  54           H        ILE  54  -0.739   8.520  -0.462
  418    HA   ILE  54           HA       ILE  54  -1.985   6.365  -1.929
  419    HB   ILE  54           HB       ILE  54  -0.540   6.280   0.745
  420   HG12  ILE  54          HG12      ILE  54   0.463   5.801  -2.097
  421   HG13  ILE  54          HG13      ILE  54   0.828   7.204  -1.117
  422   HG21  ILE  54          HG21      ILE  54  -1.383   4.071  -1.171
  423   HG22  ILE  54          HG22      ILE  54  -0.267   3.843   0.190
  424   HG23  ILE  54          HG23      ILE  54  -1.928   4.313   0.498
  425   HD11  ILE  54          HD11      ILE  54   1.769   4.373  -0.603
  426   HD12  ILE  54          HD12      ILE  54   2.725   5.797  -1.036
  427   HD13  ILE  54          HD13      ILE  54   1.957   5.710   0.559
  428    H    LEU  55           H        LEU  55  -2.711   7.668   1.389
  429    HA   LEU  55           HA       LEU  55  -5.012   6.098   1.844
  430    HB2  LEU  55           HB2      LEU  55  -4.741   9.031   2.632
  431    HB3  LEU  55           HB3      LEU  55  -5.767   7.807   3.332
  432    HG   LEU  55           HG       LEU  55  -2.823   8.249   3.716
  433   HD11  LEU  55          HD11      LEU  55  -4.473   9.338   5.189
  434   HD12  LEU  55          HD12      LEU  55  -3.491   8.168   6.081
  435   HD13  LEU  55          HD13      LEU  55  -5.153   7.751   5.610
  436   HD21  LEU  55          HD21      LEU  55  -2.843   5.883   3.249
  437   HD22  LEU  55          HD22      LEU  55  -4.249   5.634   4.331
  438   HD23  LEU  55          HD23      LEU  55  -2.668   6.135   4.986
  439    H    LYS  56           H        LYS  56  -4.843   9.282   0.125
  440    HA   LYS  56           HA       LYS  56  -7.664   9.460  -0.303
  441    HB2  LYS  56           HB2      LYS  56  -5.275  10.778  -1.618
  442    HB3  LYS  56           HB3      LYS  56  -6.938  11.094  -2.137
  443    HG2  LYS  56           HG2      LYS  56  -7.580  11.785   0.132
  444    HG3  LYS  56           HG3      LYS  56  -5.947  11.456   0.729
  445    HD2  LYS  56           HD2      LYS  56  -5.037  13.156  -0.833
  446    HD3  LYS  56           HD3      LYS  56  -6.687  13.477  -1.422
  447    HE2  LYS  56           HE2      LYS  56  -7.367  14.121   0.896
  448    HE3  LYS  56           HE3      LYS  56  -5.714  13.838   1.455
  449    HZ1  LYS  56           HZ1      LYS  56  -4.978  15.618  -0.037
  450    HZ2  LYS  56           HZ2      LYS  56  -6.109  16.184   0.993
  451    HZ3  LYS  56           HZ3      LYS  56  -6.508  15.872  -0.558
  452    H    VAL  57           H        VAL  57  -5.124   8.098  -2.457
  453    HA   VAL  57           HA       VAL  57  -6.970   7.495  -4.588
  454    HB   VAL  57           HB       VAL  57  -4.353   6.092  -3.912
  455   HG11  VAL  57          HG11      VAL  57  -4.465   5.467  -6.407
  456   HG12  VAL  57          HG12      VAL  57  -5.580   4.591  -5.357
  457   HG13  VAL  57          HG13      VAL  57  -6.167   5.935  -6.365
  458   HG21  VAL  57          HG21      VAL  57  -3.409   7.516  -5.660
  459   HG22  VAL  57          HG22      VAL  57  -5.000   8.257  -5.960
  460   HG23  VAL  57          HG23      VAL  57  -4.162   8.531  -4.425
  461    H    LEU  58           H        LEU  58  -5.821   5.453  -1.845
  462    HA   LEU  58           HA       LEU  58  -7.376   3.163  -2.658
  463    HB2  LEU  58           HB2      LEU  58  -6.122   3.868   0.020
  464    HB3  LEU  58           HB3      LEU  58  -6.734   2.277  -0.433
  465    HG   LEU  58           HG       LEU  58  -4.403   3.709  -1.804
  466   HD11  LEU  58          HD11      LEU  58  -4.395   1.296   0.019
  467   HD12  LEU  58          HD12      LEU  58  -3.923   2.933   0.514
  468   HD13  LEU  58          HD13      LEU  58  -2.985   2.069  -0.721
  469   HD21  LEU  58          HD21      LEU  58  -5.611   0.982  -2.321
  470   HD22  LEU  58          HD22      LEU  58  -3.987   1.476  -2.849
  471   HD23  LEU  58          HD23      LEU  58  -5.393   2.348  -3.454
  472    H    LYS  59           H        LYS  59  -8.236   5.935  -0.606
  473    HA   LYS  59           HA       LYS  59 -10.784   4.747   0.211
  474    HB2  LYS  59           HB2      LYS  59  -9.664   7.576   0.301
  475    HB3  LYS  59           HB3      LYS  59 -11.272   7.133   0.904
  476    HG2  LYS  59           HG2      LYS  59 -10.283   5.467   2.420
  477    HG3  LYS  59           HG3      LYS  59  -8.666   5.874   1.877
  478    HD2  LYS  59           HD2      LYS  59  -9.144   8.296   2.626
  479    HD3  LYS  59           HD3      LYS  59 -10.598   7.642   3.419
  480    HE2  LYS  59           HE2      LYS  59  -9.030   5.959   4.562
  481    HE3  LYS  59           HE3      LYS  59  -7.678   6.891   3.928
  482    HZ1  LYS  59           HZ1      LYS  59  -8.547   8.814   5.187
  483    HZ2  LYS  59           HZ2      LYS  59  -8.226   7.547   6.183
  484    HZ3  LYS  59           HZ3      LYS  59  -9.772   7.896   5.781
  485    H    LYS  60           H        LYS  60  -9.813   6.867  -2.503
  486    HA   LYS  60           HA       LYS  60 -12.557   7.262  -3.436
  487    HB2  LYS  60           HB2      LYS  60  -9.808   7.733  -4.637
  488    HB3  LYS  60           HB3      LYS  60 -11.307   8.079  -5.515
  489    HG2  LYS  60           HG2      LYS  60 -11.996   9.654  -3.728
  490    HG3  LYS  60           HG3      LYS  60 -10.461   9.392  -2.906
  491    HD2  LYS  60           HD2      LYS  60 -10.909  10.643  -5.654
  492    HD3  LYS  60           HD3      LYS  60 -10.350  11.428  -4.186
  493    HE2  LYS  60           HE2      LYS  60  -8.350  11.226  -5.245
  494    HE3  LYS  60           HE3      LYS  60  -8.334   9.718  -4.332
  495    HZ1  LYS  60           HZ1      LYS  60  -8.999   8.545  -6.374
  496    HZ2  LYS  60           HZ2      LYS  60  -7.706   9.472  -6.705
  497    HZ3  LYS  60           HZ3      LYS  60  -9.185   9.963  -7.176
  498    H    ASP  61           H        ASP  61  -9.820   5.525  -4.941
  499    HA   ASP  61           HA       ASP  61 -11.563   4.425  -6.991
  500    HB2  ASP  61           HB2      ASP  61  -8.568   4.236  -6.482
  501    HB3  ASP  61           HB3      ASP  61  -9.387   3.633  -7.919
  502    H    PHE  62           H        PHE  62  -9.853   3.044  -4.188
  503    HA   PHE  62           HA       PHE  62 -10.782   0.303  -4.900
  504    HB2  PHE  62           HB2      PHE  62  -8.850   1.363  -2.810
  505    HB3  PHE  62           HB3      PHE  62  -9.394  -0.288  -2.866
  506    HD1  PHE  62           HD1      PHE  62  -7.566   2.301  -4.885
  507    HD2  PHE  62           HD2      PHE  62  -8.374  -1.881  -4.227
  508    HE1  PHE  62           HE1      PHE  62  -5.620   1.699  -6.294
  509    HE2  PHE  62           HE2      PHE  62  -6.423  -2.476  -5.631
  510    HZ   PHE  62           HZ       PHE  62  -5.019  -0.701  -6.633
  511    H    ALA  63           H        ALA  63 -11.938   2.945  -3.139
  512    HA   ALA  63           HA       ALA  63 -13.527   3.287  -1.559
  513    HB1  ALA  63           HB1      ALA  63 -14.836   2.080  -3.290
  514    HB2  ALA  63           HB2      ALA  63 -14.559   0.553  -2.420
  515    HB3  ALA  63           HB3      ALA  63 -15.486   1.857  -1.657
  516    H    CYS  64           H        CYS  64 -11.044   2.164  -0.559
  517    HA   CYS  64           HA       CYS  64 -11.801   0.366   1.690
  518    HB2  CYS  64           HB2      CYS  64  -9.146   1.379   0.562
  519    HB3  CYS  64           HB3      CYS  64  -9.270   0.375   2.015
  520    HG   CYS  64           HG       CYS  64 -10.637  -0.387  -0.907
  521    H    ASN  65           H        ASN  65 -10.141   1.144   3.676
  522    HA   ASN  65           HA       ASN  65 -10.212   4.022   4.083
  523    HB2  ASN  65           HB2      ASN  65 -12.448   3.355   4.958
  524    HB3  ASN  65           HB3      ASN  65 -11.659   2.227   6.060
  525   HD21  ASN  65          HD21      ASN  65 -11.896   3.154   8.098
  526   HD22  ASN  65          HD22      ASN  65 -11.504   4.833   8.467
  527    H    GLY  66           H        GLY  66  -8.773   4.703   5.797
  528    HA2  GLY  66           HA2      GLY  66  -6.946   2.897   7.088
  529    HA3  GLY  66           HA3      GLY  66  -6.310   3.381   5.535
  530    H    ASN  67           H        ASN  67  -4.759   3.940   7.368
  531    HA   ASN  67           HA       ASN  67  -4.676   6.824   7.835
  532    HB2  ASN  67           HB2      ASN  67  -4.669   6.648  10.304
  533    HB3  ASN  67           HB3      ASN  67  -6.214   6.198   9.605
  534   HD21  ASN  67          HD21      ASN  67  -3.377   4.989  11.365
  535   HD22  ASN  67          HD22      ASN  67  -4.032   3.381  11.645
  536    H    ILE  68           H        ILE  68  -2.684   7.486   8.993
  537    HA   ILE  68           HA       ILE  68  -0.369   5.664   8.426
  538    HB   ILE  68           HB       ILE  68  -0.504   8.662   8.916
  539   HG12  ILE  68          HG12      ILE  68   0.381   7.307   6.341
  540   HG13  ILE  68          HG13      ILE  68  -1.317   7.637   6.620
  541   HG21  ILE  68          HG21      ILE  68   1.637   7.805   9.754
  542   HG22  ILE  68          HG22      ILE  68   1.895   6.882   8.256
  543   HG23  ILE  68          HG23      ILE  68   1.919   8.655   8.244
  544   HD11  ILE  68          HD11      ILE  68  -0.829  10.051   6.949
  545   HD12  ILE  68          HD12      ILE  68   0.872   9.739   6.529
  546   HD13  ILE  68          HD13      ILE  68  -0.412   9.447   5.338
  547    H    VAL  69           H        VAL  69   0.976   4.990  10.067
  548    HA   VAL  69           HA       VAL  69   0.650   6.127  12.820
  549    HB   VAL  69           HB       VAL  69   0.802   3.138  12.214
  550   HG11  VAL  69          HG11      VAL  69   0.452   2.864  14.675
  551   HG12  VAL  69          HG12      VAL  69   1.990   3.625  14.292
  552   HG13  VAL  69          HG13      VAL  69   0.635   4.620  14.875
  553   HG21  VAL  69          HG21      VAL  69  -1.508   4.806  13.293
  554   HG22  VAL  69          HG22      VAL  69  -1.455   3.884  11.767
  555   HG23  VAL  69          HG23      VAL  69  -1.448   3.034  13.314
  556    H    LYS  70           H        LYS  70   2.580   6.400  13.862
  557    HA   LYS  70           HA       LYS  70   5.063   5.328  12.579
  558    HB2  LYS  70           HB2      LYS  70   4.894   7.778  12.839
  559    HB3  LYS  70           HB3      LYS  70   4.790   7.586  14.595
  560    HG2  LYS  70           HG2      LYS  70   7.007   6.539  14.659
  561    HG3  LYS  70           HG3      LYS  70   7.109   6.532  12.895
  562    HD2  LYS  70           HD2      LYS  70   6.937   9.056  14.604
  563    HD3  LYS  70           HD3      LYS  70   8.442   8.342  13.998
  564    HE2  LYS  70           HE2      LYS  70   7.613   8.581  11.657
  565    HE3  LYS  70           HE3      LYS  70   6.138   9.340  12.257
  566    HZ1  LYS  70           HZ1      LYS  70   7.741  10.981  11.552
  567    HZ2  LYS  70           HZ2      LYS  70   8.870  10.433  12.602
  568    HZ3  LYS  70           HZ3      LYS  70   7.500  11.133  13.163
  569    H    ASP  71           H        ASP  71   5.247   3.307  13.306
  570    HA   ASP  71           HA       ASP  71   4.380   2.489  15.953
  571    HB2  ASP  71           HB2      ASP  71   4.027   1.220  13.791
  572    HB3  ASP  71           HB3      ASP  71   5.757   0.961  13.737
  573    HA   PRO  72           HA       PRO  72   8.344   2.685  18.065
  574    HB2  PRO  72           HB2      PRO  72   7.518   0.021  19.235
  575    HB3  PRO  72           HB3      PRO  72   8.196   1.455  20.067
  576    HG2  PRO  72           HG2      PRO  72   5.543   0.940  20.154
  577    HG3  PRO  72           HG3      PRO  72   6.124   2.623  19.894
  578    HD2  PRO  72           HD2      PRO  72   5.082   0.645  17.875
  579    HD3  PRO  72           HD3      PRO  72   4.763   2.401  18.020
  580    H    GLU  73           H        GLU  73   7.488  -0.399  16.440
  581    HA   GLU  73           HA       GLU  73  10.419  -0.919  16.007
  582    HB2  GLU  73           HB2      GLU  73  10.040  -3.247  16.159
  583    HB3  GLU  73           HB3      GLU  73   9.377  -2.449  17.584
  584    HG2  GLU  73           HG2      GLU  73   7.092  -2.710  16.710
  585    HG3  GLU  73           HG3      GLU  73   7.731  -3.518  15.268
  586    H    MET  74           H        MET  74   7.204  -1.137  14.507
  587    HA   MET  74           HA       MET  74   8.289  -1.925  11.894
  588    HB2  MET  74           HB2      MET  74   5.517  -0.939  12.678
  589    HB3  MET  74           HB3      MET  74   5.967  -1.482  11.077
  590    HG2  MET  74           HG2      MET  74   6.616  -3.700  12.049
  591    HG3  MET  74           HG3      MET  74   6.040  -3.141  13.623
  592    HE1  MET  74           HE1      MET  74   3.376  -5.803  12.557
  593    HE2  MET  74           HE2      MET  74   5.121  -5.820  12.239
  594    HE3  MET  74           HE3      MET  74   4.514  -5.279  13.819
  595    H    GLY  75           H        GLY  75   7.950   1.159  13.464
  596    HA2  GLY  75           HA2      GLY  75   8.686   3.253  12.751
  597    HA3  GLY  75           HA3      GLY  75   9.118   2.555  11.177
  598    H    GLU  76           H        GLU  76   8.223   4.494  10.203
  599    HA   GLU  76           HA       GLU  76   5.457   5.148  10.506
  600    HB2  GLU  76           HB2      GLU  76   7.495   6.624   9.860
  601    HB3  GLU  76           HB3      GLU  76   7.209   6.038   8.211
  602    HG2  GLU  76           HG2      GLU  76   4.882   6.849   8.365
  603    HG3  GLU  76           HG3      GLU  76   5.154   7.338  10.040
  604    H    ILE  77           H        ILE  77   3.826   4.055   9.748
  605    HA   ILE  77           HA       ILE  77   3.936   2.532   7.187
  606    HB   ILE  77           HB       ILE  77   2.621   0.732   8.340
  607   HG12  ILE  77          HG12      ILE  77   3.543   2.039  10.935
  608   HG13  ILE  77          HG13      ILE  77   1.883   1.990  10.338
  609   HG21  ILE  77          HG21      ILE  77   4.491  -0.490   9.071
  610   HG22  ILE  77          HG22      ILE  77   5.075   0.592   7.811
  611   HG23  ILE  77          HG23      ILE  77   5.401   0.982   9.512
  612   HD11  ILE  77          HD11      ILE  77   3.566  -0.377  11.229
  613   HD12  ILE  77          HD12      ILE  77   2.137   0.303  12.020
  614   HD13  ILE  77          HD13      ILE  77   1.972  -0.515  10.454
  615    H    ILE  78           H        ILE  78   2.004   2.171   6.141
  616    HA   ILE  78           HA       ILE  78  -0.383   3.745   7.048
  617    HB   ILE  78           HB       ILE  78   0.317   2.465   4.386
  618   HG12  ILE  78          HG12      ILE  78  -0.329   5.385   4.942
  619   HG13  ILE  78          HG13      ILE  78   1.317   4.765   5.090
  620   HG21  ILE  78          HG21      ILE  78  -2.297   3.760   5.264
  621   HG22  ILE  78          HG22      ILE  78  -1.879   3.427   3.572
  622   HG23  ILE  78          HG23      ILE  78  -2.059   2.096   4.695
  623   HD11  ILE  78          HD11      ILE  78  -0.353   4.609   2.556
  624   HD12  ILE  78          HD12      ILE  78   0.963   5.733   2.873
  625   HD13  ILE  78          HD13      ILE  78   1.304   3.993   2.772
  626    H    GLN  79           H        GLN  79  -2.151   2.744   7.733
  627    HA   GLN  79           HA       GLN  79  -2.369  -0.235   7.708
  628    HB2  GLN  79           HB2      GLN  79  -3.686   1.894   9.453
  629    HB3  GLN  79           HB3      GLN  79  -4.093   0.175   9.485
  630    HG2  GLN  79           HG2      GLN  79  -1.826  -0.392  10.222
  631    HG3  GLN  79           HG3      GLN  79  -1.336   1.305  10.166
  632   HE21  GLN  79          HE21      GLN  79  -1.207  -0.394  12.538
  633   HE22  GLN  79          HE22      GLN  79  -2.311   0.327  13.697
  634    H    LEU  80           H        LEU  80  -4.004  -1.045   6.433
  635    HA   LEU  80           HA       LEU  80  -6.240   0.734   5.569
  636    HB2  LEU  80           HB2      LEU  80  -4.354  -0.198   3.848
  637    HB3  LEU  80           HB3      LEU  80  -5.352  -1.650   3.942
  638    HG   LEU  80           HG       LEU  80  -7.319  -0.311   3.171
  639   HD11  LEU  80          HD11      LEU  80  -6.895   1.908   2.116
  640   HD12  LEU  80          HD12      LEU  80  -5.215   1.867   2.694
  641   HD13  LEU  80          HD13      LEU  80  -6.550   1.980   3.844
  642   HD21  LEU  80          HD21      LEU  80  -6.490  -0.130   0.799
  643   HD22  LEU  80          HD22      LEU  80  -5.958  -1.623   1.583
  644   HD23  LEU  80          HD23      LEU  80  -4.828  -0.294   1.419
  645    H    GLN  81           H        GLN  81  -8.324  -0.176   5.804
  646    HA   GLN  81           HA       GLN  81  -8.536  -2.389   7.673
  647    HB2  GLN  81           HB2      GLN  81 -10.617  -0.754   6.170
  648    HB3  GLN  81           HB3      GLN  81 -11.021  -2.072   7.272
  649    HG2  GLN  81           HG2      GLN  81  -9.706  -0.888   9.087
  650    HG3  GLN  81           HG3      GLN  81  -9.527   0.488   7.993
  651   HE21  GLN  81          HE21      GLN  81 -12.083  -1.610   9.522
  652   HE22  GLN  81          HE22      GLN  81 -13.243  -0.296   9.634
  653    H    GLY  82           H        GLY  82  -9.093  -4.445   7.445
  654    HA2  GLY  82           HA2      GLY  82  -9.798  -6.439   6.428
  655    HA3  GLY  82           HA3      GLY  82  -9.912  -5.632   4.857
  656    H    ASP  83           H        ASP  83  -8.849  -7.744   4.310
  657    HA   ASP  83           HA       ASP  83  -5.879  -7.592   4.505
  658    HB2  ASP  83           HB2      ASP  83  -5.734  -9.848   4.097
  659    HB3  ASP  83           HB3      ASP  83  -6.926  -9.645   5.353
  660    H    GLN  84           H        GLN  84  -5.302  -6.149   2.983
  661    HA   GLN  84           HA       GLN  84  -6.499  -6.314   0.251
  662    HB2  GLN  84           HB2      GLN  84  -5.278  -3.896   1.614
  663    HB3  GLN  84           HB3      GLN  84  -6.279  -3.924   0.165
  664    HG2  GLN  84           HG2      GLN  84  -7.165  -4.454   3.032
  665    HG3  GLN  84           HG3      GLN  84  -7.553  -3.064   2.051
  666   HE21  GLN  84          HE21      GLN  84  -9.623  -4.126   3.176
  667   HE22  GLN  84          HE22      GLN  84 -10.594  -5.072   2.032
  668    H    ARG  85           H        ARG  85  -4.164  -7.859   1.047
  669    HA   ARG  85           HA       ARG  85  -1.690  -6.781   0.480
  670    HB2  ARG  85           HB2      ARG  85  -2.651  -9.599  -0.124
  671    HB3  ARG  85           HB3      ARG  85  -0.968  -9.090  -0.002
  672    HG2  ARG  85           HG2      ARG  85  -1.300  -8.484   2.379
  673    HG3  ARG  85           HG3      ARG  85  -2.994  -8.954   2.278
  674    HD2  ARG  85           HD2      ARG  85  -0.550 -10.739   2.083
  675    HD3  ARG  85           HD3      ARG  85  -1.777 -10.756   3.329
  676    HE   ARG  85           HE       ARG  85  -1.777 -12.235   0.903
  677   HH11  ARG  85          HH11      ARG  85  -4.136 -10.515   2.869
  678   HH12  ARG  85          HH12      ARG  85  -5.485 -11.428   2.255
  679   HH21  ARG  85          HH22      ARG  85  -3.538 -13.416   0.160
  680   HH22  ARG  85          HH21      ARG  85  -5.130 -13.059   0.766
  681    H    ALA  86           H        ALA  86  -3.606  -8.659  -1.878
  682    HA   ALA  86           HA       ALA  86  -1.964  -8.106  -4.159
  683    HB1  ALA  86           HB1      ALA  86  -4.881  -8.991  -3.910
  684    HB2  ALA  86           HB2      ALA  86  -3.882  -9.115  -5.375
  685    HB3  ALA  86           HB3      ALA  86  -3.461 -10.060  -3.932
  686    H    LYS  87           H        LYS  87  -4.900  -6.499  -2.891
  687    HA   LYS  87           HA       LYS  87  -5.328  -4.733  -5.101
  688    HB2  LYS  87           HB2      LYS  87  -6.039  -4.387  -2.149
  689    HB3  LYS  87           HB3      LYS  87  -6.655  -3.413  -3.472
  690    HG2  LYS  87           HG2      LYS  87  -7.556  -5.609  -4.493
  691    HG3  LYS  87           HG3      LYS  87  -7.174  -6.350  -2.926
  692    HD2  LYS  87           HD2      LYS  87  -8.588  -4.447  -1.872
  693    HD3  LYS  87           HD3      LYS  87  -9.083  -4.048  -3.512
  694    HE2  LYS  87           HE2      LYS  87 -10.813  -5.388  -2.602
  695    HE3  LYS  87           HE3      LYS  87  -9.969  -6.396  -3.784
  696    HZ1  LYS  87           HZ1      LYS  87 -10.452  -7.522  -1.633
  697    HZ2  LYS  87           HZ2      LYS  87  -9.463  -6.466  -0.853
  698    HZ3  LYS  87           HZ3      LYS  87  -8.848  -7.509  -1.959
  699    H    VAL  88           H        VAL  88  -3.539  -4.172  -2.029
  700    HA   VAL  88           HA       VAL  88  -2.673  -1.537  -2.866
  701    HB   VAL  88           HB       VAL  88  -1.625  -3.335  -0.654
  702   HG11  VAL  88          HG11      VAL  88  -1.017  -0.388  -1.219
  703   HG12  VAL  88          HG12      VAL  88  -0.608  -1.260   0.272
  704   HG13  VAL  88          HG13      VAL  88   0.159  -1.722  -1.242
  705   HG21  VAL  88          HG21      VAL  88  -2.915  -1.756   0.781
  706   HG22  VAL  88          HG22      VAL  88  -3.468  -0.895  -0.678
  707   HG23  VAL  88          HG23      VAL  88  -3.977  -2.562  -0.379
  708    H    CYS  89           H        CYS  89  -1.128  -4.786  -3.155
  709    HA   CYS  89           HA       CYS  89   1.337  -3.936  -4.290
  710    HB2  CYS  89           HB2      CYS  89   0.734  -6.248  -3.570
  711    HB3  CYS  89           HB3      CYS  89  -0.364  -6.390  -4.954
  712    HG   CYS  89           HG       CYS  89   1.841  -7.737  -5.457
  713    H    GLU  90           H        GLU  90  -1.759  -4.673  -5.979
  714    HA   GLU  90           HA       GLU  90  -0.957  -3.882  -8.554
  715    HB2  GLU  90           HB2      GLU  90  -2.974  -5.203  -7.946
  716    HB3  GLU  90           HB3      GLU  90  -3.744  -3.729  -7.335
  717    HG2  GLU  90           HG2      GLU  90  -3.649  -2.723  -9.568
  718    HG3  GLU  90           HG3      GLU  90  -2.723  -4.100 -10.177
  719    H    PHE  91           H        PHE  91  -2.273  -1.800  -5.885
  720    HA   PHE  91           HA       PHE  91  -2.496   0.599  -7.425
  721    HB2  PHE  91           HB2      PHE  91  -3.529   0.598  -5.298
  722    HB3  PHE  91           HB3      PHE  91  -2.113  -0.031  -4.492
  723    HD1  PHE  91           HD1      PHE  91  -3.309   3.015  -6.345
  724    HD2  PHE  91           HD2      PHE  91  -0.580   1.381  -3.449
  725    HE1  PHE  91           HE1      PHE  91  -2.411   5.297  -5.877
  726    HE2  PHE  91           HE2      PHE  91   0.283   3.657  -2.966
  727    HZ   PHE  91           HZ       PHE  91  -0.686   5.629  -4.172
  728    H    MET  92           H        MET  92   0.264  -0.684  -5.519
  729    HA   MET  92           HA       MET  92   2.055   1.498  -5.996
  730    HB2  MET  92           HB2      MET  92   2.626  -1.430  -5.447
  731    HB3  MET  92           HB3      MET  92   3.812  -0.143  -5.300
  732    HG2  MET  92           HG2      MET  92   1.231  -0.092  -3.713
  733    HG3  MET  92           HG3      MET  92   2.608  -1.039  -3.173
  734    HE1  MET  92           HE1      MET  92   0.816   1.484  -1.804
  735    HE2  MET  92           HE2      MET  92   1.877   0.324  -0.979
  736    HE3  MET  92           HE3      MET  92   2.133   2.074  -0.777
  737    H    ILE  93           H        ILE  93   1.534  -1.556  -7.783
  738    HA   ILE  93           HA       ILE  93   3.532  -1.050  -9.824
  739    HB   ILE  93           HB       ILE  93   1.086  -2.864  -9.780
  740   HG12  ILE  93          HG12      ILE  93   4.021  -3.647  -9.500
  741   HG13  ILE  93          HG13      ILE  93   3.045  -3.240  -8.105
  742   HG21  ILE  93          HG21      ILE  93   2.172  -4.073 -11.681
  743   HG22  ILE  93          HG22      ILE  93   1.742  -2.432 -12.129
  744   HG23  ILE  93          HG23      ILE  93   3.433  -2.828 -11.740
  745   HD11  ILE  93          HD11      ILE  93   2.356  -5.508 -10.013
  746   HD12  ILE  93          HD12      ILE  93   3.142  -5.668  -8.439
  747   HD13  ILE  93          HD13      ILE  93   1.481  -5.052  -8.544
  748    H    SER  94           H        SER  94  -0.015  -0.511  -9.810
  749    HA   SER  94           HA       SER  94  -0.032   0.413 -12.555
  750    HB2  SER  94           HB2      SER  94  -1.880  -0.821 -11.574
  751    HB3  SER  94           HB3      SER  94  -2.129   0.439 -10.353
  752    HG   SER  94           HG       SER  94  -3.526   0.443 -12.329
  753    H    GLN  95           H        GLN  95  -0.458   2.170  -9.426
  754    HA   GLN  95           HA       GLN  95  -0.890   4.689 -10.954
  755    HB2  GLN  95           HB2      GLN  95  -1.303   4.014  -8.018
  756    HB3  GLN  95           HB3      GLN  95  -1.744   5.529  -8.797
  757    HG2  GLN  95           HG2      GLN  95  -2.949   2.789  -9.418
  758    HG3  GLN  95           HG3      GLN  95  -3.708   4.082  -8.506
  759   HE21  GLN  95          HE21      GLN  95  -3.125   2.857 -11.764
  760   HE22  GLN  95          HE22      GLN  95  -3.916   4.204 -12.564
  761    H    LEU  96           H        LEU  96   1.417   3.353  -8.543
  762    HA   LEU  96           HA       LEU  96   2.952   5.895  -8.615
  763    HB2  LEU  96           HB2      LEU  96   3.809   3.288  -7.329
  764    HB3  LEU  96           HB3      LEU  96   4.432   4.892  -7.050
  765    HG   LEU  96           HG       LEU  96   1.699   3.860  -6.193
  766   HD11  LEU  96          HD11      LEU  96   4.108   4.818  -4.590
  767   HD12  LEU  96          HD12      LEU  96   3.667   3.125  -4.879
  768   HD13  LEU  96          HD13      LEU  96   2.584   4.170  -3.941
  769   HD21  LEU  96          HD21      LEU  96   1.362   6.196  -6.784
  770   HD22  LEU  96          HD22      LEU  96   2.857   6.670  -5.952
  771   HD23  LEU  96          HD23      LEU  96   1.470   6.082  -5.022
  772    H    GLY  97           H        GLY  97   2.749   3.015 -10.458
  773    HA2  GLY  97           HA2      GLY  97   3.809   2.465 -12.436
  774    HA3  GLY  97           HA3      GLY  97   4.877   3.879 -12.250
  775    H    LEU  98           H        LEU  98   4.764   1.642  -9.567
  776    HA   LEU  98           HA       LEU  98   7.611   1.243  -9.813
  777    HB2  LEU  98           HB2      LEU  98   5.532   0.223  -7.854
  778    HB3  LEU  98           HB3      LEU  98   7.228  -0.170  -7.700
  779    HG   LEU  98           HG       LEU  98   6.218   2.715  -7.784
  780   HD11  LEU  98          HD11      LEU  98   6.859   0.936  -5.407
  781   HD12  LEU  98          HD12      LEU  98   5.257   1.570  -5.849
  782   HD13  LEU  98          HD13      LEU  98   6.527   2.684  -5.321
  783   HD21  LEU  98          HD21      LEU  98   8.609   2.512  -8.354
  784   HD22  LEU  98          HD22      LEU  98   8.883   1.469  -6.940
  785   HD23  LEU  98          HD23      LEU  98   8.446   3.173  -6.730
  786    H    GLN  99           H        GLN  99   8.772  -0.729  -9.897
  787    HA   GLN  99           HA       GLN  99   7.680  -2.711 -11.765
  788    HB2  GLN  99           HB2      GLN  99  10.325  -2.574 -10.250
  789    HB3  GLN  99           HB3      GLN  99   9.892  -3.821 -11.427
  790    HG2  GLN  99           HG2      GLN  99   9.714  -2.134 -13.213
  791    HG3  GLN  99           HG3      GLN  99  10.102  -0.849 -12.066
  792   HE21  GLN  99          HE21      GLN  99  12.316  -0.372 -11.733
  793   HE22  GLN  99          HE22      GLN  99  13.605  -1.398 -12.341
  794    H    LYS 100           H        LYS 100   7.043  -4.809 -11.298
  795    HA   LYS 100           HA       LYS 100   5.727  -5.301  -8.880
  796    HB2  LYS 100           HB2      LYS 100   6.707  -7.450 -10.756
  797    HB3  LYS 100           HB3      LYS 100   5.337  -7.479  -9.633
  798    HG2  LYS 100           HG2      LYS 100   4.441  -5.436 -11.043
  799    HG3  LYS 100           HG3      LYS 100   5.621  -5.973 -12.250
  800    HD2  LYS 100           HD2      LYS 100   4.634  -8.290 -11.995
  801    HD3  LYS 100           HD3      LYS 100   3.317  -7.575 -11.056
  802    HE2  LYS 100           HE2      LYS 100   2.757  -6.072 -12.965
  803    HE3  LYS 100           HE3      LYS 100   4.067  -6.785 -13.915
  804    HZ1  LYS 100           HZ1      LYS 100   2.906  -8.920 -13.795
  805    HZ2  LYS 100           HZ2      LYS 100   1.934  -7.790 -14.461
  806    HZ3  LYS 100           HZ3      LYS 100   1.692  -8.262 -12.917
  807    H    LYS 101           H        LYS 101   8.977  -6.255  -9.824
  808    HA   LYS 101           HA       LYS 101   9.715  -8.023  -7.750
  809    HB2  LYS 101           HB2      LYS 101  11.951  -7.679  -8.525
  810    HB3  LYS 101           HB3      LYS 101  10.858  -7.685  -9.906
  811    HG2  LYS 101           HG2      LYS 101  10.901  -5.088  -9.744
  812    HG3  LYS 101           HG3      LYS 101  12.208  -5.293  -8.578
  813    HD2  LYS 101           HD2      LYS 101  13.150  -4.826 -10.717
  814    HD3  LYS 101           HD3      LYS 101  13.531  -6.507 -10.296
  815    HE2  LYS 101           HE2      LYS 101  11.941  -7.377 -11.854
  816    HE3  LYS 101           HE3      LYS 101  11.109  -5.821 -12.005
  817    HZ1  LYS 101           HZ1      LYS 101  12.538  -6.325 -13.923
  818    HZ2  LYS 101           HZ2      LYS 101  13.870  -6.284 -12.972
  819    HZ3  LYS 101           HZ3      LYS 101  12.955  -4.929 -13.185
  820    H    ASN 102           H        ASN 102   9.353  -4.539  -7.510
  821    HA   ASN 102           HA       ASN 102  11.118  -4.184  -5.228
  822    HB2  ASN 102           HB2      ASN 102   8.909  -2.444  -6.408
  823    HB3  ASN 102           HB3      ASN 102   9.929  -1.982  -5.059
  824   HD21  ASN 102          HD21      ASN 102  10.890  -0.210  -6.074
  825   HD22  ASN 102          HD22      ASN 102  12.023  -0.411  -7.399
  826    H    ILE 103           H        ILE 103   8.062  -5.703  -5.427
  827    HA   ILE 103           HA       ILE 103   7.215  -4.801  -2.699
  828    HB   ILE 103           HB       ILE 103   5.535  -5.972  -4.944
  829   HG12  ILE 103          HG12      ILE 103   5.685  -3.046  -4.062
  830   HG13  ILE 103          HG13      ILE 103   6.496  -3.675  -5.495
  831   HG21  ILE 103          HG21      ILE 103   4.596  -6.365  -2.683
  832   HG22  ILE 103          HG22      ILE 103   4.779  -4.641  -2.290
  833   HG23  ILE 103          HG23      ILE 103   3.627  -5.174  -3.528
  834   HD11  ILE 103          HD11      ILE 103   4.311  -4.429  -6.406
  835   HD12  ILE 103          HD12      ILE 103   3.511  -3.570  -5.068
  836   HD13  ILE 103          HD13      ILE 103   4.502  -2.673  -6.234
  837    H    LYS 104           H        LYS 104   6.978  -6.165  -1.112
  838    HA   LYS 104           HA       LYS 104   7.094  -9.129  -1.543
  839    HB2  LYS 104           HB2      LYS 104   7.829  -7.469   0.906
  840    HB3  LYS 104           HB3      LYS 104   7.845  -9.230   0.815
  841    HG2  LYS 104           HG2      LYS 104   9.672  -7.366  -0.751
  842    HG3  LYS 104           HG3      LYS 104  10.080  -8.258   0.716
  843    HD2  LYS 104           HD2      LYS 104   9.481 -10.404  -0.594
  844    HD3  LYS 104           HD3      LYS 104   9.506  -9.375  -2.049
  845    HE2  LYS 104           HE2      LYS 104  11.831  -8.629  -1.384
  846    HE3  LYS 104           HE3      LYS 104  11.763  -9.759  -0.025
  847    HZ1  LYS 104           HZ1      LYS 104  12.914 -10.723  -1.931
  848    HZ2  LYS 104           HZ2      LYS 104  11.606 -10.530  -2.890
  849    HZ3  LYS 104           HZ3      LYS 104  11.553 -11.575  -1.631
  850    H    ILE 105           H        ILE 105   5.345 -10.270  -0.880
  851    HA   ILE 105           HA       ILE 105   3.201  -8.902   0.729
  852    HB   ILE 105           HB       ILE 105   2.976 -11.075  -1.388
  853   HG12  ILE 105          HG12      ILE 105   1.764  -8.272  -1.144
  854   HG13  ILE 105          HG13      ILE 105   3.107  -8.715  -2.195
  855   HG21  ILE 105          HG21      ILE 105   0.934 -10.052   0.618
  856   HG22  ILE 105          HG22      ILE 105   0.516 -11.060  -0.793
  857   HG23  ILE 105          HG23      ILE 105   1.531 -11.716   0.473
  858   HD11  ILE 105          HD11      ILE 105   0.221  -9.621  -2.467
  859   HD12  ILE 105          HD12      ILE 105   1.169  -8.613  -3.563
  860   HD13  ILE 105          HD13      ILE 105   1.574 -10.328  -3.390
  861    H    HIS 106           H        HIS 106   2.844  -9.621   2.667
  862    HA   HIS 106           HA       HIS 106   3.740 -12.356   3.495
  863    HB2  HIS 106           HB2      HIS 106   3.820  -9.860   5.208
  864    HB3  HIS 106           HB3      HIS 106   4.440 -11.448   5.617
  865    HD2  HIS 106           HD2      HIS 106   5.308  -8.328   3.521
  866    HE1  HIS 106           HE1      HIS 106   8.849 -10.669   3.766
  867    HE2  HIS 106           HE2      HIS 106   7.904  -8.406   3.106
  868    H    GLY 107           H        GLY 107   2.574 -13.204   5.365
  869    HA2  GLY 107           HA2      GLY 107  -0.320 -12.504   5.467
  870    HA3  GLY 107           HA3      GLY 107   0.482 -13.910   6.199
  871    H    PHE 108           H        PHE 108  -0.297 -13.668   8.214
  872    HA   PHE 108           HA       PHE 108  -0.010 -11.257   9.870
  873    HB2  PHE 108           HB2      PHE 108  -0.668 -14.154  10.531
  874    HB3  PHE 108           HB3      PHE 108  -0.620 -12.852  11.699
  875    HD1  PHE 108           HD1      PHE 108  -2.530 -14.274   8.855
  876    HD2  PHE 108           HD2      PHE 108  -2.380 -11.183  11.857
  877    HE1  PHE 108           HE1      PHE 108  -4.936 -13.793   8.484
  878    HE2  PHE 108           HE2      PHE 108  -4.791 -10.722  11.503
  879    HZ   PHE 108           HZ       PHE 108  -6.077 -12.028   9.817
  Start of MODEL   15
    1    H1   MET   1           H        MET   1  30.025  37.558 -33.419
    2    H2   MET   1           H2       MET   1  29.649  35.996 -33.733
    3    H3   MET   1           H3       MET   1  30.137  36.434 -32.259
    4    HA   MET   1           HA       MET   1  28.124  37.789 -31.912
    5    HB2  MET   1           HB2      MET   1  27.316  36.644 -34.615
    6    HB3  MET   1           HB3      MET   1  26.236  37.478 -33.501
    7    HG2  MET   1           HG2      MET   1  27.690  39.516 -33.638
    8    HG3  MET   1           HG3      MET   1  28.692  38.687 -34.829
    9    HE1  MET   1           HE1      MET   1  24.684  38.908 -34.402
   10    HE2  MET   1           HE2      MET   1  25.376  40.513 -34.063
   11    HE3  MET   1           HE3      MET   1  24.402  40.251 -35.522
   12    H    SER   2           H        SER   2  26.179  36.916 -30.950
   13    HA   SER   2           HA       SER   2  26.464  34.272 -29.879
   14    HB2  SER   2           HB2      SER   2  24.025  36.087 -29.885
   15    HB3  SER   2           HB3      SER   2  24.319  34.713 -28.806
   16    HG   SER   2           HG       SER   2  24.870  36.728 -27.817
   17    H    ILE   3           H        ILE   3  25.122  32.420 -30.091
   18    HA   ILE   3           HA       ILE   3  23.135  32.156 -32.177
   19    HB   ILE   3           HB       ILE   3  25.234  32.083 -33.505
   20   HG12  ILE   3          HG12      ILE   3  24.904  30.015 -34.743
   21   HG13  ILE   3          HG13      ILE   3  23.900  29.348 -33.464
   22   HG21  ILE   3          HG21      ILE   3  26.831  30.254 -33.313
   23   HG22  ILE   3          HG22      ILE   3  26.762  31.147 -31.792
   24   HG23  ILE   3          HG23      ILE   3  25.950  29.571 -31.935
   25   HD11  ILE   3          HD11      ILE   3  23.251  31.858 -35.085
   26   HD12  ILE   3          HD12      ILE   3  22.597  30.237 -35.392
   27   HD13  ILE   3          HD13      ILE   3  22.181  31.081 -33.894
   28    H    GLU   4           H        GLU   4  22.012  30.131 -32.079
   29    HA   GLU   4           HA       GLU   4  22.655  28.093 -30.149
   30    HB2  GLU   4           HB2      GLU   4  21.749  29.923 -28.674
   31    HB3  GLU   4           HB3      GLU   4  20.259  29.904 -29.605
   32    HG2  GLU   4           HG2      GLU   4  20.012  28.720 -27.489
   33    HG3  GLU   4           HG3      GLU   4  19.772  27.617 -28.830
   34    H    ASN   5           H        ASN   5  21.126  26.306 -30.282
   35    HA   ASN   5           HA       ASN   5  19.063  26.294 -32.354
   36    HB2  ASN   5           HB2      ASN   5  21.235  26.061 -33.637
   37    HB3  ASN   5           HB3      ASN   5  21.561  24.587 -32.731
   38   HD21  ASN   5          HD21      ASN   5  21.613  23.412 -34.781
   39   HD22  ASN   5          HD22      ASN   5  20.110  23.028 -35.602
   40    H    LEU   6           H        LEU   6  17.863  24.269 -32.415
   41    HA   LEU   6           HA       LEU   6  17.216  23.268 -29.855
   42    HB2  LEU   6           HB2      LEU   6  15.739  23.444 -31.809
   43    HB3  LEU   6           HB3      LEU   6  16.585  22.137 -32.622
   44    HG   LEU   6           HG       LEU   6  15.339  21.652 -29.895
   45   HD11  LEU   6          HD11      LEU   6  13.206  21.047 -30.992
   46   HD12  LEU   6          HD12      LEU   6  13.836  21.632 -32.550
   47   HD13  LEU   6          HD13      LEU   6  13.577  22.764 -31.202
   48   HD21  LEU   6          HD21      LEU   6  14.958  19.374 -30.813
   49   HD22  LEU   6          HD22      LEU   6  16.668  19.787 -30.902
   50   HD23  LEU   6          HD23      LEU   6  15.669  19.869 -32.362
   51    H    LYS   7           H        LYS   7  17.763  21.555 -28.671
   52    HA   LYS   7           HA       LYS   7  19.345  19.306 -29.618
   53    HB2  LYS   7           HB2      LYS   7  21.286  19.743 -28.140
   54    HB3  LYS   7           HB3      LYS   7  21.135  20.907 -29.450
   55    HG2  LYS   7           HG2      LYS   7  20.188  22.586 -27.891
   56    HG3  LYS   7           HG3      LYS   7  20.217  21.410 -26.580
   57    HD2  LYS   7           HD2      LYS   7  22.084  23.012 -26.431
   58    HD3  LYS   7           HD3      LYS   7  22.624  21.343 -26.566
   59    HE2  LYS   7           HE2      LYS   7  24.053  22.768 -27.905
   60    HE3  LYS   7           HE3      LYS   7  23.161  21.659 -28.947
   61    HZ1  LYS   7           HZ1      LYS   7  21.613  23.518 -29.423
   62    HZ2  LYS   7           HZ2      LYS   7  23.151  23.889 -29.857
   63    HZ3  LYS   7           HZ3      LYS   7  22.490  24.536 -28.514
   64    H    SER   8           H        SER   8  19.702  17.675 -28.015
   65    HA   SER   8           HA       SER   8  18.635  17.756 -25.348
   66    HB2  SER   8           HB2      SER   8  16.488  17.692 -26.675
   67    HB3  SER   8           HB3      SER   8  17.016  16.148 -27.362
   68    HG   SER   8           HG       SER   8  15.647  15.902 -25.501
   69    H    PHE   9           H        PHE   9  19.024  15.727 -24.229
   70    HA   PHE   9           HA       PHE   9  20.795  13.776 -25.605
   71    HB2  PHE   9           HB2      PHE   9  21.610  15.294 -23.099
   72    HB3  PHE   9           HB3      PHE   9  22.560  14.102 -23.969
   73    HD1  PHE   9           HD1      PHE   9  23.387  14.667 -26.339
   74    HD2  PHE   9           HD2      PHE   9  21.663  17.609 -23.698
   75    HE1  PHE   9           HE1      PHE   9  24.375  16.486 -27.713
   76    HE2  PHE   9           HE2      PHE   9  22.650  19.421 -25.070
   77    HZ   PHE   9           HZ       PHE   9  24.005  18.865 -27.086
   78    H    ASP  10           H        ASP  10  20.766  11.755 -24.743
   79    HA   ASP  10           HA       ASP  10  18.829  11.118 -22.648
   80    HB2  ASP  10           HB2      ASP  10  19.289   8.807 -23.236
   81    HB3  ASP  10           HB3      ASP  10  18.881   9.767 -24.651
   82    HA   PRO  11           HA       PRO  11  21.898  10.657 -19.337
   83    HB2  PRO  11           HB2      PRO  11  20.094   8.424 -18.410
   84    HB3  PRO  11           HB3      PRO  11  20.767   9.795 -17.476
   85    HG2  PRO  11           HG2      PRO  11  18.174   9.804 -18.270
   86    HG3  PRO  11           HG3      PRO  11  19.158  11.300 -18.392
   87    HD2  PRO  11           HD2      PRO  11  18.501   9.305 -20.581
   88    HD3  PRO  11           HD3      PRO  11  18.427  11.096 -20.607
   89    H    PHE  12           H        PHE  12  20.562   7.804 -21.004
   90    HA   PHE  12           HA       PHE  12  22.955   6.582 -21.771
   91    HB2  PHE  12           HB2      PHE  12  22.765   4.500 -20.330
   92    HB3  PHE  12           HB3      PHE  12  23.449   5.909 -19.567
   93    HD1  PHE  12           HD1      PHE  12  20.231   3.974 -19.865
   94    HD2  PHE  12           HD2      PHE  12  22.588   6.712 -17.509
   95    HE1  PHE  12           HE1      PHE  12  18.621   3.757 -17.998
   96    HE2  PHE  12           HE2      PHE  12  20.970   6.491 -15.642
   97    HZ   PHE  12           HZ       PHE  12  18.983   5.011 -15.881
   98    H    ALA  13           H        ALA  13  22.568   4.765 -23.055
   99    HA   ALA  13           HA       ALA  13  19.944   4.620 -24.283
  100    HB1  ALA  13           HB1      ALA  13  22.068   4.473 -25.549
  101    HB2  ALA  13           HB2      ALA  13  22.466   2.950 -24.714
  102    HB3  ALA  13           HB3      ALA  13  21.064   3.033 -25.800
  103    H    ASP  14           H        ASP  14  21.531   2.714 -21.824
  104    HA   ASP  14           HA       ASP  14  19.162   1.174 -21.223
  105    HB2  ASP  14           HB2      ASP  14  20.052  -1.038 -21.582
  106    HB3  ASP  14           HB3      ASP  14  20.022  -0.176 -23.106
  107    H    THR  15           H        THR  15  19.383  -0.084 -19.261
  108    HA   THR  15           HA       THR  15  21.229   1.226 -17.360
  109    HB   THR  15           HB       THR  15  19.046  -0.776 -16.678
  110    HG1  THR  15           HG1      THR  15  17.990   0.867 -17.707
  111   HG21  THR  15          HG21      THR  15  19.064   0.439 -14.527
  112   HG22  THR  15          HG22      THR  15  20.350   1.513 -15.121
  113   HG23  THR  15          HG23      THR  15  20.669  -0.215 -14.866
  114    H    GLY  16           H        GLY  16  22.940   0.274 -16.437
  115    HA2  GLY  16           HA2      GLY  16  23.885  -2.291 -17.475
  116    HA3  GLY  16           HA3      GLY  16  24.772  -1.142 -16.450
  117    H    ASP  17           H        ASP  17  21.786  -1.945 -15.044
  118    HA   ASP  17           HA       ASP  17  22.586  -4.321 -13.568
  119    HB2  ASP  17           HB2      ASP  17  23.995  -2.613 -12.470
  120    HB3  ASP  17           HB3      ASP  17  22.577  -1.601 -12.201
  121    H    ASP  18           H        ASP  18  20.994  -5.009 -12.076
  122    HA   ASP  18           HA       ASP  18  18.343  -3.722 -12.050
  123    HB2  ASP  18           HB2      ASP  18  17.134  -5.481 -12.976
  124    HB3  ASP  18           HB3      ASP  18  18.476  -5.272 -14.081
  125    H    GLU  19           H        GLU  19  20.727  -4.923 -10.197
  126    HA   GLU  19           HA       GLU  19  19.414  -6.771  -8.452
  127    HB2  GLU  19           HB2      GLU  19  21.861  -6.521  -8.670
  128    HB3  GLU  19           HB3      GLU  19  21.773  -4.927  -7.907
  129    HG2  GLU  19           HG2      GLU  19  20.922  -5.949  -5.828
  130    HG3  GLU  19           HG3      GLU  19  20.879  -7.536  -6.603
  131    H    THR  20           H        THR  20  18.082  -6.514  -6.771
  132    HA   THR  20           HA       THR  20  16.937  -3.887  -6.164
  133    HB   THR  20           HB       THR  20  15.411  -5.278  -4.696
  134    HG1  THR  20           HG1      THR  20  16.985  -7.018  -4.515
  135   HG21  THR  20          HG21      THR  20  14.765  -4.684  -6.997
  136   HG22  THR  20          HG22      THR  20  14.213  -6.318  -6.581
  137   HG23  THR  20          HG23      THR  20  15.632  -6.105  -7.626
  138    H    ALA  21           H        ALA  21  17.309  -2.668  -4.434
  139    HA   ALA  21           HA       ALA  21  19.169  -3.551  -2.317
  140    HB1  ALA  21           HB1      ALA  21  19.010  -1.199  -1.583
  141    HB2  ALA  21           HB2      ALA  21  19.409  -1.303  -3.307
  142    HB3  ALA  21           HB3      ALA  21  17.757  -0.887  -2.802
  143    H    THR  22           H        THR  22  18.637  -3.795  -0.153
  144    HA   THR  22           HA       THR  22  16.074  -4.829   0.558
  145    HB   THR  22           HB       THR  22  16.995  -4.631   2.919
  146    HG1  THR  22           HG1      THR  22  19.185  -4.034   3.041
  147   HG21  THR  22          HG21      THR  22  17.301  -6.667   1.532
  148   HG22  THR  22          HG22      THR  22  18.696  -6.369   2.581
  149   HG23  THR  22          HG23      THR  22  18.792  -5.984   0.850
  150    H    SER  23           H        SER  23  17.546  -1.667   1.295
  151    HA   SER  23           HA       SER  23  15.336  -0.574   2.696
  152    HB2  SER  23           HB2      SER  23  17.430   0.892   1.046
  153    HB3  SER  23           HB3      SER  23  16.441   1.574   2.349
  154    HG   SER  23           HG       SER  23  18.550   0.985   3.080
  155    H    ASN  24           H        ASN  24  15.562  -1.139  -0.717
  156    HA   ASN  24           HA       ASN  24  13.674   1.017  -1.444
  157    HB2  ASN  24           HB2      ASN  24  15.661   0.489  -2.845
  158    HB3  ASN  24           HB3      ASN  24  15.014  -1.127  -3.131
  159   HD21  ASN  24          HD21      ASN  24  13.881  -1.331  -5.044
  160   HD22  ASN  24          HD22      ASN  24  13.074  -0.003  -5.858
  161    H    TYR  25           H        TYR  25  13.457  -2.302  -0.427
  162    HA   TYR  25           HA       TYR  25  11.130  -3.010  -1.988
  163    HB2  TYR  25           HB2      TYR  25  12.553  -4.221   0.361
  164    HB3  TYR  25           HB3      TYR  25  10.925  -4.743   0.011
  165    HD1  TYR  25           HD2      TYR  25  10.305  -5.609  -2.268
  166    HD2  TYR  25           HD1      TYR  25  14.376  -5.154  -0.948
  167    HE1  TYR  25           HE2      TYR  25  11.025  -7.327  -3.919
  168    HE2  TYR  25           HE1      TYR  25  15.113  -6.849  -2.612
  169    HH   TYR  25           HH       TYR  25  14.466  -8.260  -4.316
  170    H    ILE  26           H        ILE  26   9.069  -2.909  -1.610
  171    HA   ILE  26           HA       ILE  26   7.985  -1.566   0.844
  172    HB   ILE  26           HB       ILE  26   6.472  -2.322  -1.687
  173   HG12  ILE  26          HG12      ILE  26   7.945   0.224  -0.964
  174   HG13  ILE  26          HG13      ILE  26   8.126  -0.759  -2.409
  175   HG21  ILE  26          HG21      ILE  26   5.139  -2.041   0.428
  176   HG22  ILE  26          HG22      ILE  26   5.775  -0.390   0.574
  177   HG23  ILE  26          HG23      ILE  26   4.734  -0.850  -0.794
  178   HD11  ILE  26          HD11      ILE  26   6.972   1.258  -2.989
  179   HD12  ILE  26          HD12      ILE  26   5.838  -0.103  -3.144
  180   HD13  ILE  26          HD13      ILE  26   5.741   1.006  -1.750
  181    H    HIS  27           H        HIS  27   7.085  -2.783   2.380
  182    HA   HIS  27           HA       HIS  27   6.550  -5.685   1.841
  183    HB2  HIS  27           HB2      HIS  27   7.233  -4.263   4.441
  184    HB3  HIS  27           HB3      HIS  27   6.911  -5.984   4.252
  185    HD2  HIS  27           HD2      HIS  27   9.583  -3.306   3.541
  186    HE1  HIS  27           HE1      HIS  27  11.402  -7.063   2.731
  187    HE2  HIS  27           HE2      HIS  27  11.817  -4.558   2.957
  188    H    ILE  28           H        ILE  28   4.437  -6.066   1.559
  189    HA   ILE  28           HA       ILE  28   2.420  -4.411   3.063
  190    HB   ILE  28           HB       ILE  28   1.927  -6.052   0.557
  191   HG12  ILE  28          HG12      ILE  28   2.224  -3.015   0.790
  192   HG13  ILE  28          HG13      ILE  28   3.475  -4.076   0.141
  193   HG21  ILE  28          HG21      ILE  28  -0.054  -5.720   2.037
  194   HG22  ILE  28          HG22      ILE  28   0.248  -3.976   2.079
  195   HG23  ILE  28          HG23      ILE  28  -0.239  -4.761   0.575
  196   HD11  ILE  28          HD11      ILE  28   0.736  -3.676  -1.079
  197   HD12  ILE  28          HD12      ILE  28   2.292  -3.100  -1.694
  198   HD13  ILE  28          HD13      ILE  28   1.951  -4.842  -1.638
  199    H    ARG  29           H        ARG  29   1.861  -5.333   4.830
  200    HA   ARG  29           HA       ARG  29   1.909  -8.309   5.175
  201    HB2  ARG  29           HB2      ARG  29   2.346  -6.145   7.270
  202    HB3  ARG  29           HB3      ARG  29   2.625  -7.875   7.453
  203    HG2  ARG  29           HG2      ARG  29   4.530  -7.706   5.850
  204    HG3  ARG  29           HG3      ARG  29   4.251  -5.961   5.711
  205    HD2  ARG  29           HD2      ARG  29   4.598  -5.733   8.166
  206    HD3  ARG  29           HD3      ARG  29   4.964  -7.455   8.274
  207    HE   ARG  29           HE       ARG  29   6.691  -5.305   7.307
  208   HH11  ARG  29          HH11      ARG  29   6.282  -8.824   7.109
  209   HH12  ARG  29          HH12      ARG  29   7.948  -9.056   6.677
  210   HH21  ARG  29          HH21      ARG  29   8.721  -5.653   6.797
  211   HH22  ARG  29          HH22      ARG  29   9.342  -7.260   6.476
  212    H    ILE  30           H        ILE  30   0.547  -8.968   7.178
  213    HA   ILE  30           HA       ILE  30  -1.877  -7.247   7.548
  214    HB   ILE  30           HB       ILE  30  -1.877 -10.294   7.485
  215   HG12  ILE  30          HG12      ILE  30  -3.062  -8.275   5.510
  216   HG13  ILE  30          HG13      ILE  30  -1.666  -9.307   5.196
  217   HG21  ILE  30          HG21      ILE  30  -4.330 -10.028   7.743
  218   HG22  ILE  30          HG22      ILE  30  -3.494  -9.321   9.099
  219   HG23  ILE  30          HG23      ILE  30  -4.146  -8.272   7.820
  220   HD11  ILE  30          HD11      ILE  30  -3.584 -10.255   4.103
  221   HD12  ILE  30          HD12      ILE  30  -3.090 -11.329   5.429
  222   HD13  ILE  30          HD13      ILE  30  -4.518 -10.274   5.590
  223    H    GLN  31           H        GLN  31  -2.515  -6.980   9.673
  224    HA   GLN  31           HA       GLN  31  -0.448  -7.627  11.692
  225    HB2  GLN  31           HB2      GLN  31  -3.015  -5.988  11.892
  226    HB3  GLN  31           HB3      GLN  31  -1.834  -6.204  13.188
  227    HG2  GLN  31           HG2      GLN  31  -0.070  -5.237  11.600
  228    HG3  GLN  31           HG3      GLN  31  -1.406  -4.797  10.530
  229   HE21  GLN  31          HE21      GLN  31  -0.195  -4.341  13.930
  230   HE22  GLN  31          HE22      GLN  31  -0.924  -2.757  14.098
  231    H    GLN  32           H        GLN  32  -1.079  -8.430  13.869
  232    HA   GLN  32           HA       GLN  32  -2.642 -10.899  13.582
  233    HB2  GLN  32           HB2      GLN  32  -1.168  -9.777  16.010
  234    HB3  GLN  32           HB3      GLN  32  -1.862 -11.386  15.837
  235    HG2  GLN  32           HG2      GLN  32   0.454 -11.676  15.465
  236    HG3  GLN  32           HG3      GLN  32  -0.293 -11.783  13.879
  237   HE21  GLN  32          HE21      GLN  32   1.235 -10.911  12.428
  238   HE22  GLN  32          HE22      GLN  32   2.075  -9.389  12.716
  239    H    ARG  33           H        ARG  33  -4.781 -10.616  13.540
  240    HA   ARG  33           HA       ARG  33  -6.145  -8.876  15.559
  241    HB2  ARG  33           HB2      ARG  33  -6.752  -9.187  12.587
  242    HB3  ARG  33           HB3      ARG  33  -7.709  -8.258  13.730
  243    HG2  ARG  33           HG2      ARG  33  -4.849  -7.655  12.854
  244    HG3  ARG  33           HG3      ARG  33  -6.290  -6.799  12.354
  245    HD2  ARG  33           HD2      ARG  33  -5.094  -6.847  15.138
  246    HD3  ARG  33           HD3      ARG  33  -5.078  -5.508  14.002
  247    HE   ARG  33           HE       ARG  33  -7.631  -5.591  14.140
  248   HH11  ARG  33          HH11      ARG  33  -5.692  -6.626  16.922
  249   HH12  ARG  33          HH12      ARG  33  -6.919  -6.157  18.063
  250   HH21  ARG  33          HH22      ARG  33  -9.099  -4.896  15.673
  251   HH22  ARG  33          HH21      ARG  33  -8.828  -5.211  17.361
  252    H    ASN  34           H        ASN  34  -8.074  -9.571  16.353
  253    HA   ASN  34           HA       ASN  34  -8.793 -12.408  15.991
  254    HB2  ASN  34           HB2      ASN  34  -9.893 -10.242  17.832
  255    HB3  ASN  34           HB3      ASN  34 -10.391 -11.935  17.838
  256   HD21  ASN  34          HD21      ASN  34  -8.688 -13.607  18.359
  257   HD22  ASN  34          HD22      ASN  34  -7.369 -13.116  19.408
  258    H    GLY  35           H        GLY  35 -10.452 -13.151  14.786
  259    HA2  GLY  35           HA2      GLY  35 -12.328 -13.223  13.413
  260    HA3  GLY  35           HA3      GLY  35 -12.892 -11.749  14.218
  261    H    ARG  36           H        ARG  36 -13.680 -10.827  12.341
  262    HA   ARG  36           HA       ARG  36 -11.909 -10.332  10.072
  263    HB2  ARG  36           HB2      ARG  36 -14.294 -11.036   9.858
  264    HB3  ARG  36           HB3      ARG  36 -14.795  -9.472  10.488
  265    HG2  ARG  36           HG2      ARG  36 -14.933  -9.755   7.989
  266    HG3  ARG  36           HG3      ARG  36 -14.049  -8.339   8.509
  267    HD2  ARG  36           HD2      ARG  36 -12.932  -9.392   6.623
  268    HD3  ARG  36           HD3      ARG  36 -11.898  -9.463   8.042
  269    HE   ARG  36           HE       ARG  36 -13.616 -11.753   7.128
  270   HH11  ARG  36          HH12      ARG  36 -10.377 -10.699   8.211
  271   HH12  ARG  36          HH11      ARG  36  -9.776 -12.326   8.153
  272   HH21  ARG  36          HH21      ARG  36 -12.739 -13.786   7.109
  273   HH22  ARG  36          HH22      ARG  36 -11.075 -14.035   7.543
  274    H    LYS  37           H        LYS  37 -11.677  -8.892  12.879
  275    HA   LYS  37           HA       LYS  37 -11.751  -6.052  12.199
  276    HB2  LYS  37           HB2      LYS  37 -10.392  -7.500  14.513
  277    HB3  LYS  37           HB3      LYS  37 -10.693  -5.764  14.385
  278    HG2  LYS  37           HG2      LYS  37 -13.133  -6.151  14.398
  279    HG3  LYS  37           HG3      LYS  37 -12.861  -7.898  14.551
  280    HD2  LYS  37           HD2      LYS  37 -11.669  -7.537  16.701
  281    HD3  LYS  37           HD3      LYS  37 -11.892  -5.793  16.529
  282    HE2  LYS  37           HE2      LYS  37 -13.549  -6.552  18.067
  283    HE3  LYS  37           HE3      LYS  37 -14.373  -6.111  16.570
  284    HZ1  LYS  37           HZ1      LYS  37 -13.687  -8.886  17.389
  285    HZ2  LYS  37           HZ2      LYS  37 -14.493  -8.481  16.020
  286    HZ3  LYS  37           HZ3      LYS  37 -15.174  -8.217  17.479
  287    H    THR  38           H        THR  38 -10.299  -7.551  10.285
  288    HA   THR  38           HA       THR  38  -7.492  -7.766  10.640
  289    HB   THR  38           HB       THR  38  -9.052  -7.623   8.034
  290    HG1  THR  38           HG1      THR  38  -8.713  -9.803   9.829
  291   HG21  THR  38          HG21      THR  38  -6.644  -7.835   7.681
  292   HG22  THR  38          HG22      THR  38  -7.425  -9.382   7.331
  293   HG23  THR  38          HG23      THR  38  -6.552  -9.161   8.863
  294    H    LEU  39           H        LEU  39  -5.792  -6.538   9.922
  295    HA   LEU  39           HA       LEU  39  -6.309  -3.996   8.468
  296    HB2  LEU  39           HB2      LEU  39  -4.463  -4.334  10.870
  297    HB3  LEU  39           HB3      LEU  39  -4.520  -2.909   9.837
  298    HG   LEU  39           HG       LEU  39  -6.850  -3.897  11.549
  299   HD11  LEU  39          HD11      LEU  39  -6.304  -2.015  13.022
  300   HD12  LEU  39          HD12      LEU  39  -4.910  -1.598  12.001
  301   HD13  LEU  39          HD13      LEU  39  -4.931  -3.130  12.908
  302   HD21  LEU  39          HD21      LEU  39  -6.446  -1.307   9.971
  303   HD22  LEU  39          HD22      LEU  39  -7.774  -1.613  11.114
  304   HD23  LEU  39          HD23      LEU  39  -7.644  -2.574   9.644
  305    H    THR  40           H        THR  40  -5.120  -3.816   6.751
  306    HA   THR  40           HA       THR  40  -2.716  -5.497   6.230
  307    HB   THR  40           HB       THR  40  -4.386  -3.631   4.490
  308    HG1  THR  40           HG1      THR  40  -5.182  -5.699   5.057
  309   HG21  THR  40          HG21      THR  40  -1.950  -5.321   3.734
  310   HG22  THR  40          HG22      THR  40  -2.032  -3.542   3.689
  311   HG23  THR  40          HG23      THR  40  -3.037  -4.499   2.594
  312    H    THR  41           H        THR  41  -0.696  -4.633   6.407
  313    HA   THR  41           HA       THR  41  -0.429  -1.707   6.973
  314    HB   THR  41           HB       THR  41   1.727  -2.544   8.196
  315    HG1  THR  41           HG1      THR  41   1.387  -4.539   9.186
  316   HG21  THR  41          HG21      THR  41  -0.156  -1.334   9.199
  317   HG22  THR  41          HG22      THR  41   0.398  -2.627  10.275
  318   HG23  THR  41          HG23      THR  41  -1.092  -2.832   9.315
  319    H    VAL  42           H        VAL  42   0.696  -0.568   5.685
  320    HA   VAL  42           HA       VAL  42   2.546  -1.872   3.709
  321    HB   VAL  42           HB       VAL  42   1.476   0.966   3.680
  322   HG11  VAL  42          HG11      VAL  42   2.246   0.961   1.329
  323   HG12  VAL  42          HG12      VAL  42   3.595   0.704   2.434
  324   HG13  VAL  42          HG13      VAL  42   2.912  -0.673   1.544
  325   HG21  VAL  42          HG21      VAL  42   0.518  -1.471   2.127
  326   HG22  VAL  42          HG22      VAL  42  -0.401  -0.605   3.377
  327   HG23  VAL  42          HG23      VAL  42  -0.013   0.214   1.866
  328    H    GLN  43           H        GLN  43   4.618  -1.770   4.074
  329    HA   GLN  43           HA       GLN  43   5.857   0.366   5.781
  330    HB2  GLN  43           HB2      GLN  43   5.510  -1.773   6.986
  331    HB3  GLN  43           HB3      GLN  43   6.292  -2.652   5.682
  332    HG2  GLN  43           HG2      GLN  43   8.447  -1.463   6.215
  333    HG3  GLN  43           HG3      GLN  43   7.625  -0.661   7.563
  334   HE21  GLN  43          HE21      GLN  43   7.864  -1.751   9.552
  335   HE22  GLN  43          HE22      GLN  43   8.216  -3.476   9.660
  336    H    GLY  44           H        GLY  44   8.012   0.974   5.145
  337    HA2  GLY  44           HA2      GLY  44   9.950   1.011   3.901
  338    HA3  GLY  44           HA3      GLY  44   9.440  -0.495   3.111
  339    H    VAL  45           H        VAL  45   7.043   1.770   2.609
  340    HA   VAL  45           HA       VAL  45   7.454   2.110  -0.148
  341    HB   VAL  45           HB       VAL  45   5.301   2.422   0.798
  342   HG11  VAL  45          HG11      VAL  45   5.896   3.600   2.914
  343   HG12  VAL  45          HG12      VAL  45   6.219   5.073   1.966
  344   HG13  VAL  45          HG13      VAL  45   4.586   4.379   2.016
  345   HG21  VAL  45          HG21      VAL  45   5.779   3.491  -1.387
  346   HG22  VAL  45          HG22      VAL  45   4.551   4.374  -0.469
  347   HG23  VAL  45          HG23      VAL  45   6.206   5.005  -0.547
  348    HA   PRO  46           HA       PRO  46  10.884   4.962  -0.425
  349    HB2  PRO  46           HB2      PRO  46   9.447   5.734  -2.968
  350    HB3  PRO  46           HB3      PRO  46  11.178   5.492  -2.722
  351    HG2  PRO  46           HG2      PRO  46   9.716   3.509  -3.822
  352    HG3  PRO  46           HG3      PRO  46  10.889   3.106  -2.526
  353    HD2  PRO  46           HD2      PRO  46   7.889   3.470  -2.289
  354    HD3  PRO  46           HD3      PRO  46   8.957   2.219  -1.581
  355    H    GLU  47           H        GLU  47  11.339   7.075   0.043
  356    HA   GLU  47           HA       GLU  47   9.335   8.552   1.358
  357    HB2  GLU  47           HB2      GLU  47  11.847   8.386   1.809
  358    HB3  GLU  47           HB3      GLU  47  12.099   9.492   0.466
  359    HG2  GLU  47           HG2      GLU  47  12.256  10.695   2.536
  360    HG3  GLU  47           HG3      GLU  47  10.823  11.251   1.695
  361    H    GLU  48           H        GLU  48  10.263   8.706  -1.978
  362    HA   GLU  48           HA       GLU  48   9.464  11.431  -2.523
  363    HB2  GLU  48           HB2      GLU  48   9.687  10.852  -4.842
  364    HB3  GLU  48           HB3      GLU  48  11.043  10.193  -3.934
  365    HG2  GLU  48           HG2      GLU  48   9.919   7.941  -3.960
  366    HG3  GLU  48           HG3      GLU  48   8.628   8.627  -4.952
  367    H    TYR  49           H        TYR  49   7.589   8.588  -1.906
  368    HA   TYR  49           HA       TYR  49   5.197   9.626  -3.329
  369    HB2  TYR  49           HB2      TYR  49   5.679   7.005  -1.880
  370    HB3  TYR  49           HB3      TYR  49   4.231   7.449  -2.769
  371    HD1  TYR  49           HD1      TYR  49   4.671   8.260  -5.295
  372    HD2  TYR  49           HD2      TYR  49   7.308   5.718  -3.016
  373    HE1  TYR  49           HE1      TYR  49   5.643   7.382  -7.408
  374    HE2  TYR  49           HE2      TYR  49   8.261   4.820  -5.130
  375    HH   TYR  49           HH       TYR  49   7.113   5.883  -8.356
  376    H    ASP  50           H        ASP  50   3.711  10.779  -2.302
  377    HA   ASP  50           HA       ASP  50   3.897  11.343   0.541
  378    HB2  ASP  50           HB2      ASP  50   3.357  13.081  -1.085
  379    HB3  ASP  50           HB3      ASP  50   1.907  12.208  -1.588
  380    H    LEU  51           H        LEU  51   3.006  10.254   2.141
  381    HA   LEU  51           HA       LEU  51   1.438   7.920   1.737
  382    HB2  LEU  51           HB2      LEU  51   1.792   9.558   4.281
  383    HB3  LEU  51           HB3      LEU  51   1.313   7.860   4.187
  384    HG   LEU  51           HG       LEU  51   4.036   9.057   3.542
  385   HD11  LEU  51          HD11      LEU  51   4.755   7.707   5.475
  386   HD12  LEU  51          HD12      LEU  51   3.092   7.121   5.702
  387   HD13  LEU  51          HD13      LEU  51   3.471   8.841   5.934
  388   HD21  LEU  51          HD21      LEU  51   4.854   6.781   3.177
  389   HD22  LEU  51          HD22      LEU  51   3.624   7.178   1.974
  390   HD23  LEU  51          HD23      LEU  51   3.217   6.127   3.354
  391    H    LYS  52           H        LYS  52   0.400  11.193   2.734
  392    HA   LYS  52           HA       LYS  52  -2.352  10.535   3.209
  393    HB2  LYS  52           HB2      LYS  52  -1.045  13.169   2.423
  394    HB3  LYS  52           HB3      LYS  52  -2.728  12.977   2.926
  395    HG2  LYS  52           HG2      LYS  52  -2.012  12.128   5.128
  396    HG3  LYS  52           HG3      LYS  52  -0.319  12.208   4.637
  397    HD2  LYS  52           HD2      LYS  52  -0.800  14.099   6.029
  398    HD3  LYS  52           HD3      LYS  52  -0.486  14.664   4.383
  399    HE2  LYS  52           HE2      LYS  52  -2.931  14.885   3.989
  400    HE3  LYS  52           HE3      LYS  52  -3.258  14.261   5.612
  401    HZ1  LYS  52           HZ1      LYS  52  -2.103  16.203   6.515
  402    HZ2  LYS  52           HZ2      LYS  52  -3.334  16.684   5.558
  403    HZ3  LYS  52           HZ3      LYS  52  -1.798  16.778   5.014
  404    H    ARG  53           H        ARG  53  -0.678  11.429   0.161
  405    HA   ARG  53           HA       ARG  53  -3.018  11.370  -1.475
  406    HB2  ARG  53           HB2      ARG  53  -0.743  12.278  -2.092
  407    HB3  ARG  53           HB3      ARG  53  -0.179  10.621  -2.282
  408    HG2  ARG  53           HG2      ARG  53  -0.689  11.552  -4.433
  409    HG3  ARG  53           HG3      ARG  53  -1.844  10.262  -4.098
  410    HD2  ARG  53           HD2      ARG  53  -3.590  11.912  -3.563
  411    HD3  ARG  53           HD3      ARG  53  -2.413  13.222  -3.628
  412    HE   ARG  53           HE       ARG  53  -2.512  13.261  -5.919
  413   HH11  ARG  53          HH11      ARG  53  -4.133  10.280  -4.916
  414   HH12  ARG  53          HH12      ARG  53  -4.782  10.001  -6.506
  415   HH21  ARG  53          HH21      ARG  53  -3.359  12.826  -7.934
  416   HH22  ARG  53          HH22      ARG  53  -4.337  11.414  -8.191
  417    H    ILE  54           H        ILE  54  -0.875   8.740  -0.367
  418    HA   ILE  54           HA       ILE  54  -2.143   6.589  -1.851
  419    HB   ILE  54           HB       ILE  54  -0.539   6.454   0.724
  420   HG12  ILE  54          HG12      ILE  54   0.306   5.976  -2.164
  421   HG13  ILE  54          HG13      ILE  54   0.684   7.423  -1.263
  422   HG21  ILE  54          HG21      ILE  54  -0.272   4.042   0.100
  423   HG22  ILE  54          HG22      ILE  54  -1.936   4.461   0.447
  424   HG23  ILE  54          HG23      ILE  54  -1.410   4.286  -1.242
  425   HD11  ILE  54          HD11      ILE  54   1.943   6.020   0.409
  426   HD12  ILE  54          HD12      ILE  54   1.732   4.637  -0.692
  427   HD13  ILE  54          HD13      ILE  54   2.628   6.062  -1.226
  428    H    LEU  55           H        LEU  55  -2.784   7.971   1.447
  429    HA   LEU  55           HA       LEU  55  -5.016   6.291   2.004
  430    HB2  LEU  55           HB2      LEU  55  -4.777   9.235   2.779
  431    HB3  LEU  55           HB3      LEU  55  -5.798   8.011   3.480
  432    HG   LEU  55           HG       LEU  55  -2.847   8.439   3.852
  433   HD11  LEU  55          HD11      LEU  55  -3.515   8.370   6.222
  434   HD12  LEU  55          HD12      LEU  55  -5.172   7.949   5.760
  435   HD13  LEU  55          HD13      LEU  55  -4.499   9.538   5.331
  436   HD21  LEU  55          HD21      LEU  55  -4.299   5.835   4.447
  437   HD22  LEU  55          HD22      LEU  55  -2.719   6.311   5.117
  438   HD23  LEU  55          HD23      LEU  55  -2.884   6.083   3.377
  439    H    LYS  56           H        LYS  56  -5.010   9.528   0.410
  440    HA   LYS  56           HA       LYS  56  -7.768   9.666  -0.133
  441    HB2  LYS  56           HB2      LYS  56  -5.288  10.932  -1.263
  442    HB3  LYS  56           HB3      LYS  56  -6.698  10.957  -2.300
  443    HG2  LYS  56           HG2      LYS  56  -6.729  12.982  -1.094
  444    HG3  LYS  56           HG3      LYS  56  -8.052  11.985  -0.487
  445    HD2  LYS  56           HD2      LYS  56  -6.557  11.337   1.467
  446    HD3  LYS  56           HD3      LYS  56  -5.370  12.508   0.877
  447    HE2  LYS  56           HE2      LYS  56  -8.249  13.142   1.684
  448    HE3  LYS  56           HE3      LYS  56  -6.838  13.361   2.721
  449    HZ1  LYS  56           HZ1      LYS  56  -7.435  15.433   1.656
  450    HZ2  LYS  56           HZ2      LYS  56  -7.305  14.792   0.163
  451    HZ3  LYS  56           HZ3      LYS  56  -5.973  14.967   1.099
  452    H    VAL  57           H        VAL  57  -5.277   8.299  -2.323
  453    HA   VAL  57           HA       VAL  57  -7.214   7.717  -4.356
  454    HB   VAL  57           HB       VAL  57  -4.811   8.078  -4.746
  455   HG11  VAL  57          HG11      VAL  57  -3.174   6.484  -4.458
  456   HG12  VAL  57          HG12      VAL  57  -4.028   6.570  -2.928
  457   HG13  VAL  57          HG13      VAL  57  -4.335   5.195  -4.005
  458   HG21  VAL  57          HG21      VAL  57  -5.856   5.503  -5.983
  459   HG22  VAL  57          HG22      VAL  57  -6.288   7.150  -6.498
  460   HG23  VAL  57          HG23      VAL  57  -4.618   6.590  -6.648
  461    H    LEU  58           H        LEU  58  -5.917   5.620  -1.742
  462    HA   LEU  58           HA       LEU  58  -7.340   3.250  -2.667
  463    HB2  LEU  58           HB2      LEU  58  -6.114   3.964   0.024
  464    HB3  LEU  58           HB3      LEU  58  -6.724   2.370  -0.414
  465    HG   LEU  58           HG       LEU  58  -4.400   3.776  -1.817
  466   HD11  LEU  58          HD11      LEU  58  -2.970   2.180  -0.654
  467   HD12  LEU  58          HD12      LEU  58  -4.379   1.448   0.132
  468   HD13  LEU  58          HD13      LEU  58  -3.909   3.109   0.534
  469   HD21  LEU  58          HD21      LEU  58  -5.433   2.272  -3.381
  470   HD22  LEU  58          HD22      LEU  58  -5.540   0.977  -2.161
  471   HD23  LEU  58          HD23      LEU  58  -3.962   1.508  -2.781
  472    H    LYS  59           H        LYS  59  -8.175   5.871  -0.367
  473    HA   LYS  59           HA       LYS  59 -10.725   4.703   0.391
  474    HB2  LYS  59           HB2      LYS  59  -9.643   7.549   0.433
  475    HB3  LYS  59           HB3      LYS  59 -11.220   7.083   1.089
  476    HG2  LYS  59           HG2      LYS  59 -10.185   5.531   2.663
  477    HG3  LYS  59           HG3      LYS  59  -8.585   5.843   2.013
  478    HD2  LYS  59           HD2      LYS  59  -8.851   8.285   2.642
  479    HD3  LYS  59           HD3      LYS  59 -10.375   7.846   3.449
  480    HE2  LYS  59           HE2      LYS  59  -9.073   6.164   4.817
  481    HE3  LYS  59           HE3      LYS  59  -7.588   6.746   4.071
  482    HZ1  LYS  59           HZ1      LYS  59  -8.036   8.934   5.063
  483    HZ2  LYS  59           HZ2      LYS  59  -7.989   7.772   6.224
  484    HZ3  LYS  59           HZ3      LYS  59  -9.425   8.387   5.736
  485    H    LYS  60           H        LYS  60  -9.729   6.769  -2.318
  486    HA   LYS  60           HA       LYS  60 -12.397   7.267  -3.316
  487    HB2  LYS  60           HB2      LYS  60 -10.542   8.784  -3.719
  488    HB3  LYS  60           HB3      LYS  60  -9.620   7.521  -4.543
  489    HG2  LYS  60           HG2      LYS  60 -11.332   7.447  -6.345
  490    HG3  LYS  60           HG3      LYS  60 -12.250   8.719  -5.525
  491    HD2  LYS  60           HD2      LYS  60 -10.445  10.304  -5.814
  492    HD3  LYS  60           HD3      LYS  60  -9.343   9.058  -6.414
  493    HE2  LYS  60           HE2      LYS  60 -11.954   9.772  -7.821
  494    HE3  LYS  60           HE3      LYS  60 -10.435  10.611  -8.151
  495    HZ1  LYS  60           HZ1      LYS  60  -9.453   8.494  -8.802
  496    HZ2  LYS  60           HZ2      LYS  60 -10.779   8.798  -9.713
  497    HZ3  LYS  60           HZ3      LYS  60 -10.826   7.683  -8.515
  498    H    ASP  61           H        ASP  61  -9.799   5.280  -4.840
  499    HA   ASP  61           HA       ASP  61 -11.814   4.179  -6.675
  500    HB2  ASP  61           HB2      ASP  61  -8.787   3.963  -6.576
  501    HB3  ASP  61           HB3      ASP  61  -9.806   3.304  -7.857
  502    H    PHE  62           H        PHE  62  -9.851   2.860  -4.009
  503    HA   PHE  62           HA       PHE  62 -10.870   0.122  -4.565
  504    HB2  PHE  62           HB2      PHE  62  -8.836   1.182  -2.567
  505    HB3  PHE  62           HB3      PHE  62  -9.391  -0.465  -2.636
  506    HD1  PHE  62           HD1      PHE  62  -7.647   2.155  -4.687
  507    HD2  PHE  62           HD2      PHE  62  -8.398  -2.045  -4.054
  508    HE1  PHE  62           HE1      PHE  62  -5.807   1.590  -6.237
  509    HE2  PHE  62           HE2      PHE  62  -6.557  -2.600  -5.618
  510    HZ   PHE  62           HZ       PHE  62  -5.254  -0.800  -6.707
  511    H    ALA  63           H        ALA  63 -11.977   2.841  -2.978
  512    HA   ALA  63           HA       ALA  63 -13.547   3.303  -1.410
  513    HB1  ALA  63           HB1      ALA  63 -14.862   1.922  -3.001
  514    HB2  ALA  63           HB2      ALA  63 -14.540   0.486  -2.004
  515    HB3  ALA  63           HB3      ALA  63 -15.482   1.835  -1.344
  516    H    CYS  64           H        CYS  64 -11.025   2.301  -0.365
  517    HA   CYS  64           HA       CYS  64 -11.644   0.482   1.871
  518    HB2  CYS  64           HB2      CYS  64  -9.121   1.764   0.733
  519    HB3  CYS  64           HB3      CYS  64  -9.109   0.827   2.231
  520    HG   CYS  64           HG       CYS  64 -10.459  -0.227  -0.608
  521    H    ASN  65           H        ASN  65 -10.378   1.069   3.951
  522    HA   ASN  65           HA       ASN  65 -10.785   3.902   4.816
  523    HB2  ASN  65           HB2      ASN  65 -11.416   1.373   6.382
  524    HB3  ASN  65           HB3      ASN  65 -11.346   2.979   7.100
  525   HD21  ASN  65          HD21      ASN  65 -13.581   0.989   6.912
  526   HD22  ASN  65          HD22      ASN  65 -14.901   1.884   6.160
  527    H    GLY  66           H        GLY  66  -9.008   4.649   6.107
  528    HA2  GLY  66           HA2      GLY  66  -6.924   2.896   7.063
  529    HA3  GLY  66           HA3      GLY  66  -6.495   3.535   5.497
  530    H    ASN  67           H        ASN  67  -4.875   3.953   7.485
  531    HA   ASN  67           HA       ASN  67  -4.848   6.857   8.014
  532    HB2  ASN  67           HB2      ASN  67  -4.999   4.770  10.238
  533    HB3  ASN  67           HB3      ASN  67  -4.458   6.423  10.494
  534   HD21  ASN  67          HD21      ASN  67  -7.228   4.404  10.422
  535   HD22  ASN  67          HD22      ASN  67  -8.417   5.693  10.477
  536    H    ILE  68           H        ILE  68  -2.794   7.590   8.890
  537    HA   ILE  68           HA       ILE  68  -0.446   5.806   8.346
  538    HB   ILE  68           HB       ILE  68  -0.643   8.807   8.804
  539   HG12  ILE  68          HG12      ILE  68   0.318   7.457   6.258
  540   HG13  ILE  68          HG13      ILE  68  -1.396   7.705   6.511
  541   HG21  ILE  68          HG21      ILE  68   1.506   8.002   9.675
  542   HG22  ILE  68          HG22      ILE  68   1.796   7.064   8.193
  543   HG23  ILE  68          HG23      ILE  68   1.788   8.837   8.154
  544   HD11  ILE  68          HD11      ILE  68  -0.553   9.552   5.229
  545   HD12  ILE  68          HD12      ILE  68  -1.042  10.140   6.824
  546   HD13  ILE  68          HD13      ILE  68   0.683   9.918   6.451
  547    H    VAL  69           H        VAL  69   0.810   5.082  10.003
  548    HA   VAL  69           HA       VAL  69   0.502   6.231  12.755
  549    HB   VAL  69           HB       VAL  69   0.347   3.270  12.042
  550   HG11  VAL  69          HG11      VAL  69   0.106   2.856  14.490
  551   HG12  VAL  69          HG12      VAL  69   1.706   3.439  14.056
  552   HG13  VAL  69          HG13      VAL  69   0.533   4.555  14.798
  553   HG21  VAL  69          HG21      VAL  69  -1.651   5.140  13.393
  554   HG22  VAL  69          HG22      VAL  69  -1.833   4.345  11.810
  555   HG23  VAL  69          HG23      VAL  69  -1.830   3.380  13.290
  556    H    LYS  70           H        LYS  70   2.391   6.261  13.914
  557    HA   LYS  70           HA       LYS  70   4.845   5.070  12.663
  558    HB2  LYS  70           HB2      LYS  70   4.814   7.555  12.856
  559    HB3  LYS  70           HB3      LYS  70   4.696   7.395  14.616
  560    HG2  LYS  70           HG2      LYS  70   6.861   6.179  14.652
  561    HG3  LYS  70           HG3      LYS  70   6.941   6.250  12.879
  562    HD2  LYS  70           HD2      LYS  70   6.992   8.730  12.978
  563    HD3  LYS  70           HD3      LYS  70   6.921   8.660  14.754
  564    HE2  LYS  70           HE2      LYS  70   9.054   7.382  14.787
  565    HE3  LYS  70           HE3      LYS  70   9.120   7.433  13.020
  566    HZ1  LYS  70           HZ1      LYS  70  10.484   9.175  14.005
  567    HZ2  LYS  70           HZ2      LYS  70   9.205   9.812  14.796
  568    HZ3  LYS  70           HZ3      LYS  70   9.264   9.858  13.161
  569    H    ASP  71           H        ASP  71   4.992   3.087  13.476
  570    HA   ASP  71           HA       ASP  71   4.074   2.442  16.179
  571    HB2  ASP  71           HB2      ASP  71   3.564   1.119  14.059
  572    HB3  ASP  71           HB3      ASP  71   5.261   0.683  14.031
  573    HA   PRO  72           HA       PRO  72   8.191   2.390  18.041
  574    HB2  PRO  72           HB2      PRO  72   7.150  -0.012  19.547
  575    HB3  PRO  72           HB3      PRO  72   8.015   1.424  20.173
  576    HG2  PRO  72           HG2      PRO  72   5.333   1.200  20.458
  577    HG3  PRO  72           HG3      PRO  72   6.059   2.775  19.981
  578    HD2  PRO  72           HD2      PRO  72   4.728   0.702  18.233
  579    HD3  PRO  72           HD3      PRO  72   4.553   2.485  18.223
  580    H    GLU  73           H        GLU  73   6.807  -0.643  16.753
  581    HA   GLU  73           HA       GLU  73   9.550  -1.818  16.423
  582    HB2  GLU  73           HB2      GLU  73   6.818  -3.175  16.462
  583    HB3  GLU  73           HB3      GLU  73   8.389  -3.963  16.265
  584    HG2  GLU  73           HG2      GLU  73   9.052  -2.969  18.503
  585    HG3  GLU  73           HG3      GLU  73   7.371  -2.484  18.726
  586    H    MET  74           H        MET  74   6.408  -1.451  14.741
  587    HA   MET  74           HA       MET  74   7.476  -2.409  12.190
  588    HB2  MET  74           HB2      MET  74   4.805  -1.120  12.893
  589    HB3  MET  74           HB3      MET  74   5.222  -1.733  11.307
  590    HG2  MET  74           HG2      MET  74   5.621  -3.989  12.314
  591    HG3  MET  74           HG3      MET  74   5.094  -3.353  13.877
  592    HE1  MET  74           HE1      MET  74   3.913  -5.941  12.515
  593    HE2  MET  74           HE2      MET  74   3.361  -5.315  14.085
  594    HE3  MET  74           HE3      MET  74   2.178  -5.735  12.827
  595    H    GLY  75           H        GLY  75   7.459   0.730  13.656
  596    HA2  GLY  75           HA2      GLY  75   8.450   2.703  12.894
  597    HA3  GLY  75           HA3      GLY  75   8.751   1.940  11.320
  598    H    GLU  76           H        GLU  76   8.082   4.057  10.445
  599    HA   GLU  76           HA       GLU  76   5.355   4.898  10.665
  600    HB2  GLU  76           HB2      GLU  76   7.477   6.273  10.155
  601    HB3  GLU  76           HB3      GLU  76   7.294   5.705   8.483
  602    HG2  GLU  76           HG2      GLU  76   4.996   6.617   8.460
  603    HG3  GLU  76           HG3      GLU  76   5.158   7.083  10.157
  604    H    ILE  77           H        ILE  77   3.655   4.075   9.724
  605    HA   ILE  77           HA       ILE  77   3.789   2.489   7.215
  606    HB   ILE  77           HB       ILE  77   2.355   0.754   8.353
  607   HG12  ILE  77          HG12      ILE  77   3.255   2.048  10.964
  608   HG13  ILE  77          HG13      ILE  77   1.625   2.130  10.302
  609   HG21  ILE  77          HG21      ILE  77   4.149  -0.529   9.215
  610   HG22  ILE  77          HG22      ILE  77   4.807   0.471   7.923
  611   HG23  ILE  77          HG23      ILE  77   5.106   0.919   9.614
  612   HD11  ILE  77          HD11      ILE  77   3.041  -0.373  11.270
  613   HD12  ILE  77          HD12      ILE  77   1.679   0.469  12.028
  614   HD13  ILE  77          HD13      ILE  77   1.453  -0.344  10.472
  615    H    ILE  78           H        ILE  78   1.842   2.163   6.148
  616    HA   ILE  78           HA       ILE  78  -0.513   3.807   7.024
  617    HB   ILE  78           HB       ILE  78   0.193   2.569   4.346
  618   HG12  ILE  78          HG12      ILE  78  -0.392   5.494   4.912
  619   HG13  ILE  78          HG13      ILE  78   1.233   4.843   5.123
  620   HG21  ILE  78          HG21      ILE  78  -1.968   3.622   3.535
  621   HG22  ILE  78          HG22      ILE  78  -2.191   2.259   4.615
  622   HG23  ILE  78          HG23      ILE  78  -2.393   3.909   5.235
  623   HD11  ILE  78          HD11      ILE  78  -0.335   4.702   2.522
  624   HD12  ILE  78          HD12      ILE  78   0.969   5.830   2.893
  625   HD13  ILE  78          HD13      ILE  78   1.311   4.087   2.808
  626    H    GLN  79           H        GLN  79  -2.251   2.797   7.772
  627    HA   GLN  79           HA       GLN  79  -2.491  -0.188   7.697
  628    HB2  GLN  79           HB2      GLN  79  -3.812   1.956   9.416
  629    HB3  GLN  79           HB3      GLN  79  -4.303   0.259   9.400
  630    HG2  GLN  79           HG2      GLN  79  -2.114  -0.448  10.204
  631    HG3  GLN  79           HG3      GLN  79  -1.512   1.213  10.183
  632   HE21  GLN  79          HE21      GLN  79  -2.203  -0.968  12.402
  633   HE22  GLN  79          HE22      GLN  79  -2.956   0.071  13.607
  634    H    LEU  80           H        LEU  80  -4.155  -1.042   6.507
  635    HA   LEU  80           HA       LEU  80  -6.384   0.702   5.599
  636    HB2  LEU  80           HB2      LEU  80  -4.442  -0.260   3.900
  637    HB3  LEU  80           HB3      LEU  80  -5.524  -1.650   3.952
  638    HG   LEU  80           HG       LEU  80  -7.391  -0.224   3.160
  639   HD11  LEU  80          HD11      LEU  80  -5.184   1.881   2.833
  640   HD12  LEU  80          HD12      LEU  80  -6.591   2.017   3.898
  641   HD13  LEU  80          HD13      LEU  80  -6.820   2.004   2.148
  642   HD21  LEU  80          HD21      LEU  80  -6.020  -1.557   1.586
  643   HD22  LEU  80          HD22      LEU  80  -4.851  -0.251   1.469
  644   HD23  LEU  80          HD23      LEU  80  -6.491  -0.037   0.812
  645    H    GLN  81           H        GLN  81  -8.441  -0.252   5.918
  646    HA   GLN  81           HA       GLN  81  -8.545  -2.541   7.723
  647    HB2  GLN  81           HB2      GLN  81 -10.735  -0.965   6.316
  648    HB3  GLN  81           HB3      GLN  81 -11.033  -2.296   7.442
  649    HG2  GLN  81           HG2      GLN  81  -9.777  -1.077   9.220
  650    HG3  GLN  81           HG3      GLN  81  -9.582   0.299   8.131
  651   HE21  GLN  81          HE21      GLN  81 -10.797   0.816  10.537
  652   HE22  GLN  81          HE22      GLN  81 -12.522   1.042  10.288
  653    H    GLY  82           H        GLY  82  -9.096  -4.617   7.398
  654    HA2  GLY  82           HA2      GLY  82  -9.838  -6.543   6.274
  655    HA3  GLY  82           HA3      GLY  82  -9.965  -5.644   4.760
  656    H    ASP  83           H        ASP  83  -8.969  -7.806   4.162
  657    HA   ASP  83           HA       ASP  83  -6.008  -7.866   4.326
  658    HB2  ASP  83           HB2      ASP  83  -6.217 -10.119   3.473
  659    HB3  ASP  83           HB3      ASP  83  -7.126  -9.897   4.956
  660    H    GLN  84           H        GLN  84  -5.552  -6.120   2.975
  661    HA   GLN  84           HA       GLN  84  -6.479  -6.205   0.141
  662    HB2  GLN  84           HB2      GLN  84  -5.377  -3.814   1.614
  663    HB3  GLN  84           HB3      GLN  84  -6.370  -3.835   0.158
  664    HG2  GLN  84           HG2      GLN  84  -7.257  -4.397   3.022
  665    HG3  GLN  84           HG3      GLN  84  -7.650  -3.001   2.055
  666   HE21  GLN  84          HE21      GLN  84  -9.735  -4.036   3.159
  667   HE22  GLN  84          HE22      GLN  84 -10.702  -4.986   2.018
  668    H    ARG  85           H        ARG  85  -4.035  -7.545   1.403
  669    HA   ARG  85           HA       ARG  85  -1.775  -6.135   0.723
  670    HB2  ARG  85           HB2      ARG  85  -0.540  -8.242   0.996
  671    HB3  ARG  85           HB3      ARG  85  -1.728  -7.963   2.262
  672    HG2  ARG  85           HG2      ARG  85  -3.312  -9.538   1.142
  673    HG3  ARG  85           HG3      ARG  85  -2.089  -9.859  -0.105
  674    HD2  ARG  85           HD2      ARG  85  -0.564 -10.738   1.584
  675    HD3  ARG  85           HD3      ARG  85  -1.718 -10.385   2.869
  676    HE   ARG  85           HE       ARG  85  -3.207 -11.939   1.198
  677   HH11  ARG  85          HH11      ARG  85  -0.038 -12.483   2.632
  678   HH12  ARG  85          HH12      ARG  85  -0.171 -14.222   2.509
  679   HH21  ARG  85          HH21      ARG  85  -3.357 -14.177   1.116
  680   HH22  ARG  85          HH22      ARG  85  -2.051 -15.161   1.698
  681    H    ALA  86           H        ALA  86  -3.449  -8.441  -1.396
  682    HA   ALA  86           HA       ALA  86  -1.593  -8.156  -3.623
  683    HB1  ALA  86           HB1      ALA  86  -3.354  -9.416  -4.826
  684    HB2  ALA  86           HB2      ALA  86  -2.993 -10.161  -3.256
  685    HB3  ALA  86           HB3      ALA  86  -4.468  -9.189  -3.460
  686    H    LYS  87           H        LYS  87  -4.686  -6.610  -2.725
  687    HA   LYS  87           HA       LYS  87  -5.082  -5.109  -5.134
  688    HB2  LYS  87           HB2      LYS  87  -5.979  -4.559  -2.267
  689    HB3  LYS  87           HB3      LYS  87  -6.592  -3.740  -3.690
  690    HG2  LYS  87           HG2      LYS  87  -7.418  -5.945  -4.583
  691    HG3  LYS  87           HG3      LYS  87  -6.878  -6.702  -3.066
  692    HD2  LYS  87           HD2      LYS  87  -8.291  -4.922  -1.864
  693    HD3  LYS  87           HD3      LYS  87  -9.028  -4.572  -3.430
  694    HE2  LYS  87           HE2      LYS  87  -9.902  -6.823  -3.618
  695    HE3  LYS  87           HE3      LYS  87  -8.897  -7.388  -2.273
  696    HZ1  LYS  87           HZ1      LYS  87 -10.142  -5.958  -0.787
  697    HZ2  LYS  87           HZ2      LYS  87 -11.152  -7.024  -1.524
  698    HZ3  LYS  87           HZ3      LYS  87 -11.126  -5.457  -2.003
  699    H    VAL  88           H        VAL  88  -3.513  -4.179  -2.043
  700    HA   VAL  88           HA       VAL  88  -2.748  -1.568  -3.023
  701    HB   VAL  88           HB       VAL  88  -1.628  -3.163  -0.692
  702   HG11  VAL  88          HG11      VAL  88   0.033  -1.459  -1.347
  703   HG12  VAL  88          HG12      VAL  88  -1.241  -0.221  -1.443
  704   HG13  VAL  88          HG13      VAL  88  -0.800  -0.945   0.115
  705   HG21  VAL  88          HG21      VAL  88  -4.044  -2.542  -0.470
  706   HG22  VAL  88          HG22      VAL  88  -3.031  -1.656   0.672
  707   HG23  VAL  88          HG23      VAL  88  -3.628  -0.854  -0.800
  708    H    CYS  89           H        CYS  89  -1.004  -4.746  -3.047
  709    HA   CYS  89           HA       CYS  89   1.439  -3.813  -4.170
  710    HB2  CYS  89           HB2      CYS  89   0.971  -6.111  -3.315
  711    HB3  CYS  89           HB3      CYS  89  -0.065  -6.420  -4.717
  712    HG   CYS  89           HG       CYS  89   2.287  -7.610  -5.024
  713    H    GLU  90           H        GLU  90  -1.558  -4.843  -5.871
  714    HA   GLU  90           HA       GLU  90  -0.739  -4.176  -8.475
  715    HB2  GLU  90           HB2      GLU  90  -2.724  -5.534  -7.808
  716    HB3  GLU  90           HB3      GLU  90  -3.564  -4.047  -7.341
  717    HG2  GLU  90           HG2      GLU  90  -3.422  -3.214  -9.643
  718    HG3  GLU  90           HG3      GLU  90  -2.445  -4.614 -10.113
  719    H    PHE  91           H        PHE  91  -2.243  -1.981  -5.995
  720    HA   PHE  91           HA       PHE  91  -2.518   0.302  -7.686
  721    HB2  PHE  91           HB2      PHE  91  -3.598   0.363  -5.561
  722    HB3  PHE  91           HB3      PHE  91  -2.150  -0.091  -4.699
  723    HD1  PHE  91           HD1      PHE  91  -3.524   2.675  -6.832
  724    HD2  PHE  91           HD2      PHE  91  -0.752   1.535  -3.739
  725    HE1  PHE  91           HE1      PHE  91  -2.814   5.042  -6.588
  726    HE2  PHE  91           HE2      PHE  91  -0.056   3.903  -3.479
  727    HZ   PHE  91           HZ       PHE  91  -1.097   5.666  -4.913
  728    H    MET  92           H        MET  92   0.203  -0.692  -5.587
  729    HA   MET  92           HA       MET  92   1.906   1.538  -6.062
  730    HB2  MET  92           HB2      MET  92   2.530  -1.350  -5.398
  731    HB3  MET  92           HB3      MET  92   3.699  -0.040  -5.251
  732    HG2  MET  92           HG2      MET  92   1.052   0.043  -3.779
  733    HG3  MET  92           HG3      MET  92   2.395  -0.892  -3.151
  734    HE1  MET  92           HE1      MET  92   1.789   2.282  -0.880
  735    HE2  MET  92           HE2      MET  92   0.553   1.574  -1.938
  736    HE3  MET  92           HE3      MET  92   1.630   0.514  -1.006
  737    H    ILE  93           H        ILE  93   1.523  -1.516  -7.853
  738    HA   ILE  93           HA       ILE  93   3.678  -0.951  -9.758
  739    HB   ILE  93           HB       ILE  93   1.413  -2.984  -9.748
  740   HG12  ILE  93          HG12      ILE  93   4.383  -3.463  -9.202
  741   HG13  ILE  93          HG13      ILE  93   3.246  -3.104  -7.918
  742   HG21  ILE  93          HG21      ILE  93   2.210  -2.629 -12.072
  743   HG22  ILE  93          HG22      ILE  93   3.886  -2.900 -11.541
  744   HG23  ILE  93          HG23      ILE  93   2.700  -4.211 -11.479
  745   HD11  ILE  93          HD11      ILE  93   3.155  -5.534  -9.729
  746   HD12  ILE  93          HD12      ILE  93   3.475  -5.461  -7.989
  747   HD13  ILE  93          HD13      ILE  93   1.857  -5.081  -8.598
  748    H    SER  94           H        SER  94   0.112  -0.704  -9.867
  749    HA   SER  94           HA       SER  94   0.127   0.066 -12.670
  750    HB2  SER  94           HB2      SER  94  -2.121   0.029 -10.627
  751    HB3  SER  94           HB3      SER  94  -2.308   0.156 -12.386
  752    HG   SER  94           HG       SER  94  -1.447  -2.023 -10.812
  753    H    GLN  95           H        GLN  95   0.071   1.994  -9.708
  754    HA   GLN  95           HA       GLN  95  -0.605   4.438 -11.341
  755    HB2  GLN  95           HB2      GLN  95  -1.146   3.826  -8.418
  756    HB3  GLN  95           HB3      GLN  95  -1.483   5.363  -9.205
  757    HG2  GLN  95           HG2      GLN  95  -2.775   2.711 -10.005
  758    HG3  GLN  95           HG3      GLN  95  -3.489   3.900  -8.933
  759   HE21  GLN  95          HE21      GLN  95  -2.383   3.467 -12.377
  760   HE22  GLN  95          HE22      GLN  95  -3.484   4.704 -12.967
  761    H    LEU  96           H        LEU  96   1.599   3.262  -8.722
  762    HA   LEU  96           HA       LEU  96   3.052   5.832  -8.838
  763    HB2  LEU  96           HB2      LEU  96   3.965   3.298  -7.443
  764    HB3  LEU  96           HB3      LEU  96   4.490   4.932  -7.177
  765    HG   LEU  96           HG       LEU  96   1.751   3.829  -6.446
  766   HD11  LEU  96          HD11      LEU  96   3.643   3.141  -5.007
  767   HD12  LEU  96          HD12      LEU  96   2.508   4.201  -4.149
  768   HD13  LEU  96          HD13      LEU  96   4.059   4.843  -4.731
  769   HD21  LEU  96          HD21      LEU  96   2.842   6.661  -6.122
  770   HD22  LEU  96          HD22      LEU  96   1.377   6.039  -5.337
  771   HD23  LEU  96          HD23      LEU  96   1.441   6.170  -7.097
  772    H    GLY  97           H        GLY  97   3.069   2.932 -10.638
  773    HA2  GLY  97           HA2      GLY  97   4.294   2.384 -12.526
  774    HA3  GLY  97           HA3      GLY  97   5.345   3.799 -12.257
  775    H    LEU  98           H        LEU  98   5.000   1.657  -9.535
  776    HA   LEU  98           HA       LEU  98   7.819   0.990  -9.624
  777    HB2  LEU  98           HB2      LEU  98   5.565   0.150  -7.777
  778    HB3  LEU  98           HB3      LEU  98   7.229  -0.350  -7.546
  779    HG   LEU  98           HG       LEU  98   6.411   2.592  -7.664
  780   HD11  LEU  98          HD11      LEU  98   6.593   2.532  -5.187
  781   HD12  LEU  98          HD12      LEU  98   6.786   0.763  -5.269
  782   HD13  LEU  98          HD13      LEU  98   5.270   1.528  -5.794
  783   HD21  LEU  98          HD21      LEU  98   8.936   1.180  -6.666
  784   HD22  LEU  98          HD22      LEU  98   8.603   2.915  -6.510
  785   HD23  LEU  98          HD23      LEU  98   8.814   2.209  -8.111
  786    H    GLN  99           H        GLN  99   8.648  -1.251  -9.429
  787    HA   GLN  99           HA       GLN  99   7.384  -3.016 -11.468
  788    HB2  GLN  99           HB2      GLN  99  10.060  -3.254 -10.028
  789    HB3  GLN  99           HB3      GLN  99   9.485  -4.251 -11.370
  790    HG2  GLN  99           HG2      GLN  99   9.448  -2.276 -12.854
  791    HG3  GLN  99           HG3      GLN  99  10.047  -1.254 -11.547
  792   HE21  GLN  99          HE21      GLN  99  11.359  -1.705 -14.142
  793   HE22  GLN  99          HE22      GLN  99  12.913  -2.426 -13.747
  794    H    LYS 100           H        LYS 100   6.828  -5.220 -10.988
  795    HA   LYS 100           HA       LYS 100   5.698  -5.773  -8.460
  796    HB2  LYS 100           HB2      LYS 100   5.080  -6.942 -10.526
  797    HB3  LYS 100           HB3      LYS 100   6.698  -7.619 -10.674
  798    HG2  LYS 100           HG2      LYS 100   5.159  -9.308  -9.915
  799    HG3  LYS 100           HG3      LYS 100   6.350  -8.996  -8.659
  800    HD2  LYS 100           HD2      LYS 100   4.686  -7.588  -7.438
  801    HD3  LYS 100           HD3      LYS 100   3.484  -7.924  -8.695
  802    HE2  LYS 100           HE2      LYS 100   4.856 -10.027  -6.948
  803    HE3  LYS 100           HE3      LYS 100   3.278  -9.314  -6.601
  804    HZ1  LYS 100           HZ1      LYS 100   3.024 -11.421  -7.737
  805    HZ2  LYS 100           HZ2      LYS 100   3.914 -10.926  -9.011
  806    HZ3  LYS 100           HZ3      LYS 100   2.463 -10.232  -8.706
  807    H    LYS 101           H        LYS 101   8.938  -6.504  -9.689
  808    HA   LYS 101           HA       LYS 101   9.908  -7.925  -7.385
  809    HB2  LYS 101           HB2      LYS 101  12.109  -7.657  -8.425
  810    HB3  LYS 101           HB3      LYS 101  10.897  -8.254  -9.551
  811    HG2  LYS 101           HG2      LYS 101  10.680  -6.062 -10.592
  812    HG3  LYS 101           HG3      LYS 101  11.789  -5.333  -9.422
  813    HD2  LYS 101           HD2      LYS 101  12.569  -7.604 -11.310
  814    HD3  LYS 101           HD3      LYS 101  12.736  -5.893 -11.719
  815    HE2  LYS 101           HE2      LYS 101  14.185  -5.539  -9.738
  816    HE3  LYS 101           HE3      LYS 101  14.075  -7.260  -9.339
  817    HZ1  LYS 101           HZ1      LYS 101  15.202  -7.777 -11.400
  818    HZ2  LYS 101           HZ2      LYS 101  16.094  -6.647 -10.622
  819    HZ3  LYS 101           HZ3      LYS 101  15.168  -6.218 -11.891
  820    H    ASN 102           H        ASN 102   9.041  -4.681  -7.373
  821    HA   ASN 102           HA       ASN 102  11.076  -3.973  -5.308
  822    HB2  ASN 102           HB2      ASN 102   8.725  -2.337  -6.331
  823    HB3  ASN 102           HB3      ASN 102  10.035  -1.802  -5.279
  824   HD21  ASN 102          HD21      ASN 102  12.250  -3.057  -6.823
  825   HD22  ASN 102          HD22      ASN 102  12.344  -2.122  -8.303
  826    H    ILE 103           H        ILE 103   8.223  -5.790  -5.302
  827    HA   ILE 103           HA       ILE 103   7.411  -4.772  -2.599
  828    HB   ILE 103           HB       ILE 103   5.559  -5.812  -4.766
  829   HG12  ILE 103          HG12      ILE 103   6.171  -2.920  -3.987
  830   HG13  ILE 103          HG13      ILE 103   6.551  -3.690  -5.530
  831   HG21  ILE 103          HG21      ILE 103   3.794  -4.903  -3.267
  832   HG22  ILE 103          HG22      ILE 103   4.747  -6.111  -2.436
  833   HG23  ILE 103          HG23      ILE 103   5.035  -4.388  -2.108
  834   HD11  ILE 103          HD11      ILE 103   3.795  -3.033  -4.499
  835   HD12  ILE 103          HD12      ILE 103   4.654  -2.361  -5.898
  836   HD13  ILE 103          HD13      ILE 103   4.115  -4.050  -5.926
  837    H    LYS 104           H        LYS 104   7.206  -6.149  -1.028
  838    HA   LYS 104           HA       LYS 104   7.164  -9.102  -1.530
  839    HB2  LYS 104           HB2      LYS 104   7.783  -7.553   1.016
  840    HB3  LYS 104           HB3      LYS 104   7.827  -9.307   0.817
  841    HG2  LYS 104           HG2      LYS 104   9.726  -7.277  -0.416
  842    HG3  LYS 104           HG3      LYS 104  10.051  -8.403   0.898
  843    HD2  LYS 104           HD2      LYS 104   9.564 -10.305  -0.759
  844    HD3  LYS 104           HD3      LYS 104   9.609  -9.063  -2.036
  845    HE2  LYS 104           HE2      LYS 104  11.895  -8.381  -1.187
  846    HE3  LYS 104           HE3      LYS 104  11.822  -9.714  -0.027
  847    HZ1  LYS 104           HZ1      LYS 104  11.680 -11.253  -1.922
  848    HZ2  LYS 104           HZ2      LYS 104  13.043 -10.355  -2.012
  849    HZ3  LYS 104           HZ3      LYS 104  11.781 -10.009  -2.985
  850    H    ILE 105           H        ILE 105   5.276 -10.104  -1.197
  851    HA   ILE 105           HA       ILE 105   3.088  -8.805   0.406
  852    HB   ILE 105           HB       ILE 105   3.004 -11.101  -1.601
  853   HG12  ILE 105          HG12      ILE 105   1.862  -8.262  -1.703
  854   HG13  ILE 105          HG13      ILE 105   3.223  -8.863  -2.649
  855   HG21  ILE 105          HG21      ILE 105   1.406 -11.450   0.295
  856   HG22  ILE 105          HG22      ILE 105   0.734  -9.833  -0.018
  857   HG23  ILE 105          HG23      ILE 105   0.570 -11.141  -1.210
  858   HD11  ILE 105          HD11      ILE 105   0.316  -9.715  -2.923
  859   HD12  ILE 105          HD12      ILE 105   1.306  -8.835  -4.084
  860   HD13  ILE 105          HD13      ILE 105   1.676 -10.533  -3.736
  861    H    HIS 106           H        HIS 106   2.884  -9.443   2.422
  862    HA   HIS 106           HA       HIS 106   3.931 -12.117   3.299
  863    HB2  HIS 106           HB2      HIS 106   3.657  -9.535   4.863
  864    HB3  HIS 106           HB3      HIS 106   4.297 -11.052   5.480
  865    HD2  HIS 106           HD2      HIS 106   5.303  -7.956   3.552
  866    HE1  HIS 106           HE1      HIS 106   8.779 -10.406   3.724
  867    HE2  HIS 106           HE2      HIS 106   7.912  -8.077   3.192
  868    H    GLY 107           H        GLY 107   2.810 -12.827   5.411
  869    HA2  GLY 107           HA2      GLY 107  -0.172 -12.748   5.063
  870    HA3  GLY 107           HA3      GLY 107   0.773 -13.991   5.897
  871    H    PHE 108           H        PHE 108  -0.618 -13.827   7.605
  872    HA   PHE 108           HA       PHE 108  -0.742 -11.495   9.407
  873    HB2  PHE 108           HB2      PHE 108  -1.615 -14.401   9.659
  874    HB3  PHE 108           HB3      PHE 108  -1.784 -13.213  10.930
  875    HD1  PHE 108           HD1      PHE 108  -2.895 -13.941   7.405
  876    HD2  PHE 108           HD2      PHE 108  -3.698 -11.866  11.100
  877    HE1  PHE 108           HE1      PHE 108  -5.163 -13.365   6.592
  878    HE2  PHE 108           HE2      PHE 108  -5.975 -11.316  10.293
  879    HZ   PHE 108           HZ       PHE 108  -6.715 -12.062   8.036
  Start of MODEL   16
    1    H1   MET   1           H        MET   1 -10.098  11.948  44.251
    2    H2   MET   1           H2       MET   1 -10.946  13.024  45.107
    3    H3   MET   1           H3       MET   1 -10.034  11.927  45.883
    4    HA   MET   1           HA       MET   1  -8.939  14.121  45.913
    5    HB2  MET   1           HB2      MET   1  -7.596  12.014  45.916
    6    HB3  MET   1           HB3      MET   1  -7.438  12.133  44.165
    7    HG2  MET   1           HG2      MET   1  -5.454  12.972  45.405
    8    HG3  MET   1           HG3      MET   1  -6.154  14.171  44.345
    9    HE1  MET   1           HE1      MET   1  -5.451  13.031  47.983
   10    HE2  MET   1           HE2      MET   1  -6.314  14.224  48.975
   11    HE3  MET   1           HE3      MET   1  -7.229  13.021  48.047
   12    H    SER   2           H        SER   2  -8.020  15.900  44.810
   13    HA   SER   2           HA       SER   2  -9.549  16.794  42.571
   14    HB2  SER   2           HB2      SER   2  -7.167  18.116  43.912
   15    HB3  SER   2           HB3      SER   2  -8.440  18.907  42.964
   16    HG   SER   2           HG       SER   2  -8.820  19.097  45.225
   17    H    ILE   3           H        ILE   3  -8.006  14.611  41.600
   18    HA   ILE   3           HA       ILE   3  -5.920  15.780  39.810
   19    HB   ILE   3           HB       ILE   3  -5.420  13.465  39.183
   20   HG12  ILE   3          HG12      ILE   3  -7.364  12.609  41.378
   21   HG13  ILE   3          HG13      ILE   3  -7.680  12.477  39.644
   22   HG21  ILE   3          HG21      ILE   3  -4.239  14.685  41.018
   23   HG22  ILE   3          HG22      ILE   3  -5.314  13.902  42.195
   24   HG23  ILE   3          HG23      ILE   3  -4.202  12.934  41.207
   25   HD11  ILE   3          HD11      ILE   3  -6.940  10.337  40.447
   26   HD12  ILE   3          HD12      ILE   3  -5.665  11.018  39.411
   27   HD13  ILE   3          HD13      ILE   3  -5.491  11.039  41.184
   28    H    GLU   4           H        GLU   4  -5.925  15.236  37.531
   29    HA   GLU   4           HA       GLU   4  -8.598  14.760  36.299
   30    HB2  GLU   4           HB2      GLU   4  -6.614  16.970  35.614
   31    HB3  GLU   4           HB3      GLU   4  -7.925  16.483  34.552
   32    HG2  GLU   4           HG2      GLU   4  -8.255  17.618  37.362
   33    HG3  GLU   4           HG3      GLU   4  -8.444  18.513  35.861
   34    H    ASN   5           H        ASN   5  -8.559  13.608  34.407
   35    HA   ASN   5           HA       ASN   5  -6.245  11.948  33.906
   36    HB2  ASN   5           HB2      ASN   5  -8.600  11.180  33.802
   37    HB3  ASN   5           HB3      ASN   5  -8.889  12.232  32.418
   38   HD21  ASN   5          HD21      ASN   5  -8.661  11.241  30.411
   39   HD22  ASN   5          HD22      ASN   5  -7.716   9.789  30.140
   40    H    LEU   6           H        LEU   6  -7.289  14.965  32.552
   41    HA   LEU   6           HA       LEU   6  -5.919  14.689  29.964
   42    HB2  LEU   6           HB2      LEU   6  -7.476  16.944  31.302
   43    HB3  LEU   6           HB3      LEU   6  -6.642  17.115  29.764
   44    HG   LEU   6           HG       LEU   6  -8.031  15.313  28.774
   45   HD11  LEU   6          HD11      LEU   6 -10.225  14.780  29.897
   46   HD12  LEU   6          HD12      LEU   6  -9.571  15.460  31.403
   47   HD13  LEU   6          HD13      LEU   6  -8.833  14.018  30.654
   48   HD21  LEU   6          HD21      LEU   6 -10.028  16.740  28.528
   49   HD22  LEU   6          HD22      LEU   6  -8.553  17.719  28.502
   50   HD23  LEU   6          HD23      LEU   6  -9.556  17.670  29.968
   51    H    LYS   7           H        LYS   7  -3.936  14.097  31.326
   52    HA   LYS   7           HA       LYS   7  -2.505  16.073  32.796
   53    HB2  LYS   7           HB2      LYS   7  -2.269  13.606  32.981
   54    HB3  LYS   7           HB3      LYS   7  -1.505  13.558  31.384
   55    HG2  LYS   7           HG2      LYS   7   0.367  14.948  32.230
   56    HG3  LYS   7           HG3      LYS   7  -0.424  15.058  33.816
   57    HD2  LYS   7           HD2      LYS   7  -0.250  12.597  34.069
   58    HD3  LYS   7           HD3      LYS   7   0.517  12.484  32.469
   59    HE2  LYS   7           HE2      LYS   7   2.371  13.945  33.262
   60    HE3  LYS   7           HE3      LYS   7   1.611  14.050  34.855
   61    HZ1  LYS   7           HZ1      LYS   7   1.901  11.642  35.077
   62    HZ2  LYS   7           HZ2      LYS   7   3.343  12.357  34.810
   63    HZ3  LYS   7           HZ3      LYS   7   2.603  11.547  33.602
   64    H    SER   8           H        SER   8  -2.268  15.192  29.355
   65    HA   SER   8           HA       SER   8  -1.045  17.655  28.507
   66    HB2  SER   8           HB2      SER   8   1.155  16.707  27.829
   67    HB3  SER   8           HB3      SER   8   0.959  16.830  29.575
   68    HG   SER   8           HG       SER   8   1.866  14.804  28.908
   69    H    PHE   9           H        PHE   9  -0.345  17.565  26.210
   70    HA   PHE   9           HA       PHE   9  -1.519  15.431  24.534
   71    HB2  PHE   9           HB2      PHE   9  -2.249  18.386  24.325
   72    HB3  PHE   9           HB3      PHE   9  -2.682  17.155  23.155
   73    HD1  PHE   9           HD1      PHE   9  -4.260  15.281  23.801
   74    HD2  PHE   9           HD2      PHE   9  -3.594  18.730  26.304
   75    HE1  PHE   9           HE1      PHE   9  -6.382  14.819  25.006
   76    HE2  PHE   9           HE2      PHE   9  -5.716  18.263  27.508
   77    HZ   PHE   9           HZ       PHE   9  -7.116  16.314  26.850
   78    H    ASP  10           H        ASP  10  -0.878  15.679  22.252
   79    HA   ASP  10           HA       ASP  10   1.527  17.362  21.747
   80    HB2  ASP  10           HB2      ASP  10   1.218  14.402  21.117
   81    HB3  ASP  10           HB3      ASP  10   2.451  15.440  20.406
   82    HA   PRO  11           HA       PRO  11  -0.896  18.254  18.102
   83    HB2  PRO  11           HB2      PRO  11   0.819  19.786  16.675
   84    HB3  PRO  11           HB3      PRO  11   0.194  20.306  18.267
   85    HG2  PRO  11           HG2      PRO  11   2.856  18.954  17.678
   86    HG3  PRO  11           HG3      PRO  11   2.561  20.448  18.625
   87    HD2  PRO  11           HD2      PRO  11   2.816  17.987  19.801
   88    HD3  PRO  11           HD3      PRO  11   1.709  19.236  20.447
   89    H    PHE  12           H        PHE  12   2.143  16.477  17.819
   90    HA   PHE  12           HA       PHE  12   1.394  14.773  15.712
   91    HB2  PHE  12           HB2      PHE  12   3.102  15.606  14.029
   92    HB3  PHE  12           HB3      PHE  12   1.620  16.516  14.140
   93    HD1  PHE  12           HD1      PHE  12   5.205  16.543  15.298
   94    HD2  PHE  12           HD2      PHE  12   1.662  18.859  14.478
   95    HE1  PHE  12           HE1      PHE  12   6.496  18.633  15.621
   96    HE2  PHE  12           HE2      PHE  12   2.960  20.950  14.792
   97    HZ   PHE  12           HZ       PHE  12   5.377  20.843  15.372
   98    H    ALA  13           H        ALA  13   3.086  13.321  15.193
   99    HA   ALA  13           HA       ALA  13   4.889  12.686  17.392
  100    HB1  ALA  13           HB1      ALA  13   3.668  10.940  16.129
  101    HB2  ALA  13           HB2      ALA  13   4.538  11.399  14.646
  102    HB3  ALA  13           HB3      ALA  13   5.422  10.706  16.018
  103    H    ASP  14           H        ASP  14   7.161  12.407  17.263
  104    HA   ASP  14           HA       ASP  14   8.590  14.543  15.922
  105    HB2  ASP  14           HB2      ASP  14   9.122  13.749  18.198
  106    HB3  ASP  14           HB3      ASP  14   9.569  12.168  17.553
  107    H    THR  15           H        THR  15  10.068  14.460  14.261
  108    HA   THR  15           HA       THR  15  10.461  11.941  12.717
  109    HB   THR  15           HB       THR  15  10.024  13.209  10.617
  110    HG1  THR  15           HG1      THR  15   8.926  15.185  10.800
  111   HG21  THR  15          HG21      THR  15   7.600  13.215  12.466
  112   HG22  THR  15          HG22      THR  15   8.243  11.781  11.637
  113   HG23  THR  15          HG23      THR  15   7.607  13.137  10.694
  114    H    GLY  16           H        GLY  16  12.080  12.169  11.016
  115    HA2  GLY  16           HA2      GLY  16  13.933  13.557  10.103
  116    HA3  GLY  16           HA3      GLY  16  14.381  13.963  11.761
  117    H    ASP  17           H        ASP  17  15.784  12.601   9.514
  118    HA   ASP  17           HA       ASP  17  17.197  10.513  10.898
  119    HB2  ASP  17           HB2      ASP  17  15.099   9.284  10.228
  120    HB3  ASP  17           HB3      ASP  17  15.434   9.696   8.550
  121    H    ASP  18           H        ASP  18  18.901   9.542   9.394
  122    HA   ASP  18           HA       ASP  18  19.604  11.110   7.007
  123    HB2  ASP  18           HB2      ASP  18  20.381  12.563   8.846
  124    HB3  ASP  18           HB3      ASP  18  21.299  11.223   9.534
  125    H    GLU  19           H        GLU  19  20.925  10.082   5.639
  126    HA   GLU  19           HA       GLU  19  22.837   8.079   6.207
  127    HB2  GLU  19           HB2      GLU  19  21.831   6.137   5.128
  128    HB3  GLU  19           HB3      GLU  19  20.942   6.561   6.578
  129    HG2  GLU  19           HG2      GLU  19  19.126   7.522   5.281
  130    HG3  GLU  19           HG3      GLU  19  20.054   7.405   3.784
  131    H    THR  20           H        THR  20  23.667   7.086   4.092
  132    HA   THR  20           HA       THR  20  23.676   9.036   1.878
  133    HB   THR  20           HB       THR  20  25.269   7.328   0.869
  134    HG1  THR  20           HG1      THR  20  26.108   5.822   2.386
  135   HG21  THR  20          HG21      THR  20  26.057   9.353   2.070
  136   HG22  THR  20          HG22      THR  20  27.141   7.976   2.323
  137   HG23  THR  20          HG23      THR  20  26.013   8.464   3.608
  138    H    ALA  21           H        ALA  21  23.309   5.517   1.875
  139    HA   ALA  21           HA       ALA  21  20.655   5.360   0.825
  140    HB1  ALA  21           HB1      ALA  21  21.222   4.531  -1.469
  141    HB2  ALA  21           HB2      ALA  21  21.672   6.225  -1.263
  142    HB3  ALA  21           HB3      ALA  21  22.922   4.962  -1.192
  143    H    THR  22           H        THR  22  20.046   3.132   0.285
  144    HA   THR  22           HA       THR  22  21.827   0.909   0.520
  145    HB   THR  22           HB       THR  22  21.591   1.534   2.949
  146    HG1  THR  22           HG1      THR  22  21.358  -0.632   3.495
  147   HG21  THR  22          HG21      THR  22  19.581   0.930   4.153
  148   HG22  THR  22          HG22      THR  22  18.764   0.424   2.662
  149   HG23  THR  22          HG23      THR  22  19.154   2.136   2.930
  150    H    SER  23           H        SER  23  20.620  -1.189   0.388
  151    HA   SER  23           HA       SER  23  18.563  -0.984  -1.683
  152    HB2  SER  23           HB2      SER  23  18.651  -3.485  -1.605
  153    HB3  SER  23           HB3      SER  23  20.178  -2.682  -1.994
  154    HG   SER  23           HG       SER  23  20.458  -4.387  -0.465
  155    H    ASN  24           H        ASN  24  16.418  -1.616  -1.573
  156    HA   ASN  24           HA       ASN  24  15.117  -2.309   0.934
  157    HB2  ASN  24           HB2      ASN  24  13.947  -0.201   1.249
  158    HB3  ASN  24           HB3      ASN  24  15.679   0.070   1.338
  159   HD21  ASN  24          HD21      ASN  24  16.743   1.274  -0.437
  160   HD22  ASN  24          HD22      ASN  24  15.752   2.200  -1.547
  161    H    TYR  25           H        TYR  25  12.786  -2.387   0.778
  162    HA   TYR  25           HA       TYR  25  11.606  -2.539  -1.953
  163    HB2  TYR  25           HB2      TYR  25  11.506  -4.680   0.217
  164    HB3  TYR  25           HB3      TYR  25  10.501  -4.692  -1.217
  165    HD1  TYR  25           HD1      TYR  25  12.182  -4.086  -3.441
  166    HD2  TYR  25           HD2      TYR  25  13.071  -6.411   0.071
  167    HE1  TYR  25           HE1      TYR  25  13.862  -5.390  -4.742
  168    HE2  TYR  25           HE2      TYR  25  14.740  -7.731  -1.220
  169    HH   TYR  25           HH       TYR  25  15.422  -7.090  -4.689
  170    H    ILE  26           H        ILE  26   9.277  -2.755  -1.925
  171    HA   ILE  26           HA       ILE  26   7.915  -1.213   0.252
  172    HB   ILE  26           HB       ILE  26   6.895  -2.339  -2.388
  173   HG12  ILE  26          HG12      ILE  26   6.639   0.432  -2.526
  174   HG13  ILE  26          HG13      ILE  26   8.169   0.244  -1.673
  175   HG21  ILE  26          HG21      ILE  26   5.092  -2.218  -0.697
  176   HG22  ILE  26          HG22      ILE  26   5.520  -0.529  -0.343
  177   HG23  ILE  26          HG23      ILE  26   4.860  -0.981  -1.931
  178   HD11  ILE  26          HD11      ILE  26   9.013  -1.198  -3.524
  179   HD12  ILE  26          HD12      ILE  26   7.457  -0.983  -4.366
  180   HD13  ILE  26          HD13      ILE  26   8.522   0.407  -4.081
  181    H    HIS  27           H        HIS  27   6.836  -2.271   1.847
  182    HA   HIS  27           HA       HIS  27   6.560  -5.255   1.620
  183    HB2  HIS  27           HB2      HIS  27   7.166  -3.535   4.046
  184    HB3  HIS  27           HB3      HIS  27   6.882  -5.274   4.065
  185    HD2  HIS  27           HD2      HIS  27   9.606  -2.758   3.767
  186    HE1  HIS  27           HE1      HIS  27  11.364  -6.421   2.497
  187    HE2  HIS  27           HE2      HIS  27  11.844  -4.018   3.204
  188    H    ILE  28           H        ILE  28   4.546  -5.991   1.705
  189    HA   ILE  28           HA       ILE  28   2.415  -4.365   3.079
  190    HB   ILE  28           HB       ILE  28   1.974  -6.280   0.764
  191   HG12  ILE  28          HG12      ILE  28   1.866  -3.233   0.612
  192   HG13  ILE  28          HG13      ILE  28   3.297  -4.139   0.129
  193   HG21  ILE  28          HG21      ILE  28  -0.270  -4.957   0.791
  194   HG22  ILE  28          HG22      ILE  28  -0.016  -6.070   2.135
  195   HG23  ILE  28          HG23      ILE  28   0.224  -4.324   2.346
  196   HD11  ILE  28          HD11      ILE  28   2.021  -5.396  -1.544
  197   HD12  ILE  28          HD12      ILE  28   0.575  -4.442  -1.157
  198   HD13  ILE  28          HD13      ILE  28   2.006  -3.645  -1.826
  199    H    ARG  29           H        ARG  29   2.346  -5.130   4.984
  200    HA   ARG  29           HA       ARG  29   2.388  -8.049   5.621
  201    HB2  ARG  29           HB2      ARG  29   3.167  -5.521   7.145
  202    HB3  ARG  29           HB3      ARG  29   2.870  -7.052   7.976
  203    HG2  ARG  29           HG2      ARG  29   4.564  -8.173   6.662
  204    HG3  ARG  29           HG3      ARG  29   4.903  -6.697   5.737
  205    HD2  ARG  29           HD2      ARG  29   5.886  -5.636   7.649
  206    HD3  ARG  29           HD3      ARG  29   5.234  -6.857   8.748
  207    HE   ARG  29           HE       ARG  29   6.776  -8.469   7.987
  208   HH11  ARG  29          HH11      ARG  29   7.642  -5.294   6.639
  209   HH12  ARG  29          HH12      ARG  29   9.054  -5.946   5.862
  210   HH21  ARG  29          HH21      ARG  29   8.654  -9.173   7.041
  211   HH22  ARG  29          HH22      ARG  29   9.663  -8.065   6.166
  212    H    ILE  30           H        ILE  30   1.042  -8.479   7.698
  213    HA   ILE  30           HA       ILE  30  -1.413  -6.789   7.857
  214    HB   ILE  30           HB       ILE  30  -1.402  -9.830   7.926
  215   HG12  ILE  30          HG12      ILE  30  -2.583  -7.875   5.884
  216   HG13  ILE  30          HG13      ILE  30  -1.197  -8.934   5.615
  217   HG21  ILE  30          HG21      ILE  30  -3.028  -8.868   9.522
  218   HG22  ILE  30          HG22      ILE  30  -3.726  -7.882   8.212
  219   HG23  ILE  30          HG23      ILE  30  -3.835  -9.648   8.185
  220   HD11  ILE  30          HD11      ILE  30  -3.034  -9.937   4.541
  221   HD12  ILE  30          HD12      ILE  30  -2.698 -10.918   5.974
  222   HD13  ILE  30          HD13      ILE  30  -4.082  -9.793   5.954
  223    H    GLN  31           H        GLN  31  -2.053  -6.324   9.859
  224    HA   GLN  31           HA       GLN  31  -0.376  -7.245  12.151
  225    HB2  GLN  31           HB2      GLN  31  -0.505  -4.825  11.863
  226    HB3  GLN  31           HB3      GLN  31  -2.264  -4.882  11.805
  227    HG2  GLN  31           HG2      GLN  31  -1.460  -4.088  13.991
  228    HG3  GLN  31           HG3      GLN  31  -2.386  -5.572  14.148
  229   HE21  GLN  31          HE21      GLN  31  -1.448  -7.082  15.557
  230   HE22  GLN  31          HE22      GLN  31   0.287  -7.196  15.825
  231    H    GLN  32           H        GLN  32  -1.185  -8.664  13.529
  232    HA   GLN  32           HA       GLN  32  -3.877  -9.755  13.197
  233    HB2  GLN  32           HB2      GLN  32  -1.836 -10.512  15.327
  234    HB3  GLN  32           HB3      GLN  32  -3.160 -11.463  14.679
  235    HG2  GLN  32           HG2      GLN  32  -1.267 -12.442  13.721
  236    HG3  GLN  32           HG3      GLN  32  -1.894 -11.441  12.418
  237   HE21  GLN  32          HE21      GLN  32   0.592 -11.945  11.756
  238   HE22  GLN  32          HE22      GLN  32   1.706 -10.714  12.325
  239    H    ARG  33           H        ARG  33  -5.588  -9.506  14.662
  240    HA   ARG  33           HA       ARG  33  -5.246  -7.946  17.125
  241    HB2  ARG  33           HB2      ARG  33  -5.281  -6.293  15.218
  242    HB3  ARG  33           HB3      ARG  33  -6.913  -6.844  14.834
  243    HG2  ARG  33           HG2      ARG  33  -7.736  -6.042  16.999
  244    HG3  ARG  33           HG3      ARG  33  -6.081  -5.679  17.529
  245    HD2  ARG  33           HD2      ARG  33  -5.876  -3.971  15.737
  246    HD3  ARG  33           HD3      ARG  33  -7.496  -4.362  15.172
  247    HE   ARG  33           HE       ARG  33  -8.446  -3.214  16.947
  248   HH11  ARG  33          HH12      ARG  33  -4.965  -3.411  17.579
  249   HH12  ARG  33          HH11      ARG  33  -5.049  -2.250  18.871
  250   HH21  ARG  33          HH22      ARG  33  -8.475  -1.732  18.619
  251   HH22  ARG  33          HH21      ARG  33  -7.007  -1.321  19.450
  252    H    ASN  34           H        ASN  34  -6.928  -8.095  18.544
  253    HA   ASN  34           HA       ASN  34  -8.606 -10.365  18.479
  254    HB2  ASN  34           HB2      ASN  34  -7.742  -9.166  20.506
  255    HB3  ASN  34           HB3      ASN  34  -8.870  -7.851  20.175
  256   HD21  ASN  34          HD21      ASN  34  -9.910  -8.189  22.251
  257   HD22  ASN  34          HD22      ASN  34 -10.953  -9.576  22.506
  258    H    GLY  35           H        GLY  35 -10.912 -10.574  18.416
  259    HA2  GLY  35           HA2      GLY  35 -13.055 -10.213  17.635
  260    HA3  GLY  35           HA3      GLY  35 -12.689  -8.475  17.547
  261    H    ARG  36           H        ARG  36 -10.558 -10.450  15.715
  262    HA   ARG  36           HA       ARG  36 -10.108 -10.673  13.548
  263    HB2  ARG  36           HB2      ARG  36 -12.402 -11.884  13.725
  264    HB3  ARG  36           HB3      ARG  36 -13.066 -10.500  12.875
  265    HG2  ARG  36           HG2      ARG  36 -12.625 -12.342  11.353
  266    HG3  ARG  36           HG3      ARG  36 -11.619 -10.970  10.929
  267    HD2  ARG  36           HD2      ARG  36 -10.382 -13.083  10.733
  268    HD3  ARG  36           HD3      ARG  36  -9.650 -12.025  11.925
  269    HE   ARG  36           HE       ARG  36 -10.109 -13.552  13.593
  270   HH11  ARG  36          HH11      ARG  36 -12.017 -14.544  10.781
  271   HH12  ARG  36          HH12      ARG  36 -12.484 -16.046  11.520
  272   HH21  ARG  36          HH21      ARG  36 -10.761 -15.493  14.486
  273   HH22  ARG  36          HH22      ARG  36 -11.783 -16.571  13.586
  274    H    LYS  37           H        LYS  37 -10.222  -7.999  14.703
  275    HA   LYS  37           HA       LYS  37 -11.065  -6.148  12.605
  276    HB2  LYS  37           HB2      LYS  37 -11.257  -5.743  15.065
  277    HB3  LYS  37           HB3      LYS  37  -9.508  -5.703  15.185
  278    HG2  LYS  37           HG2      LYS  37 -10.453  -3.468  15.213
  279    HG3  LYS  37           HG3      LYS  37  -9.447  -3.653  13.779
  280    HD2  LYS  37           HD2      LYS  37 -11.398  -3.853  12.342
  281    HD3  LYS  37           HD3      LYS  37 -12.481  -3.968  13.751
  282    HE2  LYS  37           HE2      LYS  37 -11.855  -1.686  14.443
  283    HE3  LYS  37           HE3      LYS  37 -10.731  -1.553  13.084
  284    HZ1  LYS  37           HZ1      LYS  37 -13.652  -1.972  12.755
  285    HZ2  LYS  37           HZ2      LYS  37 -12.566  -1.640  11.562
  286    HZ3  LYS  37           HZ3      LYS  37 -12.925  -0.510  12.680
  287    H    THR  38           H        THR  38  -9.671  -7.551  11.099
  288    HA   THR  38           HA       THR  38  -6.847  -7.522  11.102
  289    HB   THR  38           HB       THR  38  -8.765  -7.822   8.750
  290    HG1  THR  38           HG1      THR  38  -8.683 -10.005   9.354
  291   HG21  THR  38          HG21      THR  38  -6.418  -7.650   7.986
  292   HG22  THR  38          HG22      THR  38  -6.990  -9.311   7.834
  293   HG23  THR  38          HG23      THR  38  -5.931  -8.864   9.192
  294    H    LEU  39           H        LEU  39  -5.314  -6.212  10.286
  295    HA   LEU  39           HA       LEU  39  -6.088  -3.849   8.622
  296    HB2  LEU  39           HB2      LEU  39  -4.117  -3.914  10.945
  297    HB3  LEU  39           HB3      LEU  39  -4.362  -2.546   9.868
  298    HG   LEU  39           HG       LEU  39  -6.479  -3.680  11.753
  299   HD11  LEU  39          HD11      LEU  39  -4.579  -2.696  12.973
  300   HD12  LEU  39          HD12      LEU  39  -6.034  -1.696  13.130
  301   HD13  LEU  39          HD13      LEU  39  -4.737  -1.204  12.020
  302   HD21  LEU  39          HD21      LEU  39  -7.655  -1.524  11.301
  303   HD22  LEU  39          HD22      LEU  39  -7.516  -2.529   9.860
  304   HD23  LEU  39          HD23      LEU  39  -6.436  -1.132  10.066
  305    H    THR  40           H        THR  40  -4.990  -3.779   6.787
  306    HA   THR  40           HA       THR  40  -2.554  -5.402   6.290
  307    HB   THR  40           HB       THR  40  -4.231  -3.567   4.530
  308    HG1  THR  40           HG1      THR  40  -5.079  -5.594   5.178
  309   HG21  THR  40          HG21      THR  40  -1.840  -5.336   3.821
  310   HG22  THR  40          HG22      THR  40  -1.900  -3.562   3.685
  311   HG23  THR  40          HG23      THR  40  -2.929  -4.560   2.650
  312    H    THR  41           H        THR  41  -0.633  -4.617   6.865
  313    HA   THR  41           HA       THR  41  -0.275  -1.718   7.369
  314    HB   THR  41           HB       THR  41   1.918  -2.674   8.452
  315    HG1  THR  41           HG1      THR  41   1.525  -4.726   9.342
  316   HG21  THR  41          HG21      THR  41   0.682  -2.846  10.568
  317   HG22  THR  41          HG22      THR  41  -0.853  -3.039   9.683
  318   HG23  THR  41          HG23      THR  41   0.054  -1.510   9.588
  319    H    VAL  42           H        VAL  42   0.515  -0.586   5.848
  320    HA   VAL  42           HA       VAL  42   2.277  -1.813   3.764
  321    HB   VAL  42           HB       VAL  42   1.018   0.932   3.638
  322   HG11  VAL  42          HG11      VAL  42   2.925   0.576   2.120
  323   HG12  VAL  42          HG12      VAL  42   2.181  -0.913   1.508
  324   HG13  VAL  42          HG13      VAL  42   1.412   0.663   1.211
  325   HG21  VAL  42          HG21      VAL  42  -0.838  -0.658   3.817
  326   HG22  VAL  42          HG22      VAL  42  -0.707  -0.094   2.154
  327   HG23  VAL  42          HG23      VAL  42  -0.087  -1.709   2.598
  328    H    GLN  43           H        GLN  43   4.336  -1.355   3.670
  329    HA   GLN  43           HA       GLN  43   5.611   0.764   5.351
  330    HB2  GLN  43           HB2      GLN  43   5.213  -1.339   6.625
  331    HB3  GLN  43           HB3      GLN  43   5.975  -2.264   5.354
  332    HG2  GLN  43           HG2      GLN  43   8.167  -1.138   5.899
  333    HG3  GLN  43           HG3      GLN  43   7.344  -0.277   7.210
  334   HE21  GLN  43          HE21      GLN  43   8.285  -1.281   9.059
  335   HE22  GLN  43          HE22      GLN  43   8.305  -3.034   9.263
  336    H    GLY  44           H        GLY  44   7.948   1.015   4.801
  337    HA2  GLY  44           HA2      GLY  44   9.844   0.922   3.518
  338    HA3  GLY  44           HA3      GLY  44   9.164  -0.505   2.716
  339    H    VAL  45           H        VAL  45   6.849   1.361   1.864
  340    HA   VAL  45           HA       VAL  45   7.526   2.042  -0.713
  341    HB   VAL  45           HB       VAL  45   5.263   2.085   0.072
  342   HG11  VAL  45          HG11      VAL  45   5.785   4.805   1.331
  343   HG12  VAL  45          HG12      VAL  45   4.242   3.940   1.239
  344   HG13  VAL  45          HG13      VAL  45   5.551   3.292   2.237
  345   HG21  VAL  45          HG21      VAL  45   6.028   4.751  -1.188
  346   HG22  VAL  45          HG22      VAL  45   5.836   3.206  -2.056
  347   HG23  VAL  45          HG23      VAL  45   4.443   3.955  -1.267
  348    HA   PRO  46           HA       PRO  46  10.694   5.144  -0.478
  349    HB2  PRO  46           HB2      PRO  46   9.474   6.003  -3.108
  350    HB3  PRO  46           HB3      PRO  46  11.186   5.853  -2.694
  351    HG2  PRO  46           HG2      PRO  46   9.981   3.877  -4.074
  352    HG3  PRO  46           HG3      PRO  46  11.033   3.441  -2.686
  353    HD2  PRO  46           HD2      PRO  46   8.010   3.632  -2.763
  354    HD3  PRO  46           HD3      PRO  46   9.063   2.384  -2.031
  355    H    GLU  47           H        GLU  47  10.909   7.233   0.263
  356    HA   GLU  47           HA       GLU  47   8.550   8.434   1.278
  357    HB2  GLU  47           HB2      GLU  47  10.032  10.040   2.334
  358    HB3  GLU  47           HB3      GLU  47  10.704   8.418   2.457
  359    HG2  GLU  47           HG2      GLU  47  12.262   8.918   0.575
  360    HG3  GLU  47           HG3      GLU  47  11.581  10.542   0.443
  361    H    GLU  48           H        GLU  48   9.881   8.906  -1.803
  362    HA   GLU  48           HA       GLU  48   8.996  11.640  -2.253
  363    HB2  GLU  48           HB2      GLU  48   9.403  11.214  -4.577
  364    HB3  GLU  48           HB3      GLU  48  10.744  10.589  -3.620
  365    HG2  GLU  48           HG2      GLU  48   9.777   8.278  -3.843
  366    HG3  GLU  48           HG3      GLU  48   8.507   8.937  -4.881
  367    H    TYR  49           H        TYR  49   7.349   8.588  -2.003
  368    HA   TYR  49           HA       TYR  49   4.881   9.600  -3.305
  369    HB2  TYR  49           HB2      TYR  49   5.501   6.902  -2.057
  370    HB3  TYR  49           HB3      TYR  49   4.049   7.341  -2.940
  371    HD1  TYR  49           HD2      TYR  49   4.374   8.188  -5.406
  372    HD2  TYR  49           HD1      TYR  49   7.345   5.953  -3.224
  373    HE1  TYR  49           HE2      TYR  49   5.464   7.544  -7.551
  374    HE2  TYR  49           HE1      TYR  49   8.462   5.354  -5.354
  375    HH   TYR  49           HH       TYR  49   8.435   5.526  -7.648
  376    H    ASP  50           H        ASP  50   3.640  10.852  -2.083
  377    HA   ASP  50           HA       ASP  50   3.836  11.121   0.758
  378    HB2  ASP  50           HB2      ASP  50   3.170  12.952  -0.665
  379    HB3  ASP  50           HB3      ASP  50   1.784  12.051  -1.276
  380    H    LEU  51           H        LEU  51   3.016   9.915   2.341
  381    HA   LEU  51           HA       LEU  51   1.426   7.590   1.935
  382    HB2  LEU  51           HB2      LEU  51   1.798   9.239   4.470
  383    HB3  LEU  51           HB3      LEU  51   1.218   7.579   4.393
  384    HG   LEU  51           HG       LEU  51   4.022   8.570   3.749
  385   HD11  LEU  51          HD11      LEU  51   2.926   6.766   5.952
  386   HD12  LEU  51          HD12      LEU  51   3.416   8.465   6.139
  387   HD13  LEU  51          HD13      LEU  51   4.626   7.234   5.730
  388   HD21  LEU  51          HD21      LEU  51   2.961   5.711   3.598
  389   HD22  LEU  51          HD22      LEU  51   4.662   6.196   3.485
  390   HD23  LEU  51          HD23      LEU  51   3.531   6.697   2.227
  391    H    LYS  52           H        LYS  52   0.474  10.890   2.850
  392    HA   LYS  52           HA       LYS  52  -2.327  10.361   3.246
  393    HB2  LYS  52           HB2      LYS  52  -0.901  12.909   2.410
  394    HB3  LYS  52           HB3      LYS  52  -2.575  12.809   2.940
  395    HG2  LYS  52           HG2      LYS  52  -1.911  11.995   5.134
  396    HG3  LYS  52           HG3      LYS  52  -0.204  11.986   4.691
  397    HD2  LYS  52           HD2      LYS  52  -1.781  14.572   4.485
  398    HD3  LYS  52           HD3      LYS  52  -1.273  13.973   6.055
  399    HE2  LYS  52           HE2      LYS  52   0.364  15.540   5.327
  400    HE3  LYS  52           HE3      LYS  52   1.091  13.933   5.352
  401    HZ1  LYS  52           HZ1      LYS  52   0.955  13.853   2.958
  402    HZ2  LYS  52           HZ2      LYS  52   1.654  15.263   3.365
  403    HZ3  LYS  52           HZ3      LYS  52   0.094  15.252   2.883
  404    H    ARG  53           H        ARG  53  -0.475  10.984   0.252
  405    HA   ARG  53           HA       ARG  53  -2.833  11.098  -1.438
  406    HB2  ARG  53           HB2      ARG  53  -0.695  12.073  -2.146
  407    HB3  ARG  53           HB3      ARG  53   0.063  10.484  -2.140
  408    HG2  ARG  53           HG2      ARG  53  -0.459  11.166  -4.401
  409    HG3  ARG  53           HG3      ARG  53  -1.381   9.728  -3.973
  410    HD2  ARG  53           HD2      ARG  53  -3.401  11.111  -3.598
  411    HD3  ARG  53           HD3      ARG  53  -2.487  12.578  -3.953
  412    HE   ARG  53           HE       ARG  53  -3.506  10.567  -5.835
  413   HH11  ARG  53          HH11      ARG  53  -1.244  13.281  -5.545
  414   HH12  ARG  53          HH12      ARG  53  -1.210  13.545  -7.261
  415   HH21  ARG  53          HH21      ARG  53  -3.407  10.968  -8.032
  416   HH22  ARG  53          HH22      ARG  53  -2.412  12.253  -8.643
  417    H    ILE  54           H        ILE  54  -0.688   8.445  -0.322
  418    HA   ILE  54           HA       ILE  54  -1.915   6.308  -1.849
  419    HB   ILE  54           HB       ILE  54  -0.537   6.214   0.855
  420   HG12  ILE  54          HG12      ILE  54   0.511   5.607  -1.945
  421   HG13  ILE  54          HG13      ILE  54   0.870   7.063  -1.043
  422   HG21  ILE  54          HG21      ILE  54  -0.317   3.766   0.359
  423   HG22  ILE  54          HG22      ILE  54  -1.980   4.270   0.590
  424   HG23  ILE  54          HG23      ILE  54  -1.372   3.988  -1.053
  425   HD11  ILE  54          HD11      ILE  54   1.922   5.641   0.756
  426   HD12  ILE  54          HD12      ILE  54   1.761   4.254  -0.344
  427   HD13  ILE  54          HD13      ILE  54   2.748   5.645  -0.813
  428    H    LEU  55           H        LEU  55  -2.734   7.626   1.451
  429    HA   LEU  55           HA       LEU  55  -5.068   6.092   1.833
  430    HB2  LEU  55           HB2      LEU  55  -4.802   9.029   2.612
  431    HB3  LEU  55           HB3      LEU  55  -5.861   7.818   3.283
  432    HG   LEU  55           HG       LEU  55  -2.924   8.225   3.761
  433   HD11  LEU  55          HD11      LEU  55  -4.599   9.377   5.161
  434   HD12  LEU  55          HD12      LEU  55  -3.647   8.217   6.098
  435   HD13  LEU  55          HD13      LEU  55  -5.302   7.804   5.609
  436   HD21  LEU  55          HD21      LEU  55  -4.437   5.656   4.369
  437   HD22  LEU  55          HD22      LEU  55  -2.870   6.130   5.067
  438   HD23  LEU  55          HD23      LEU  55  -2.991   5.859   3.327
  439    H    LYS  56           H        LYS  56  -4.807   9.263   0.110
  440    HA   LYS  56           HA       LYS  56  -7.592   9.501  -0.446
  441    HB2  LYS  56           HB2      LYS  56  -5.122  10.668  -1.746
  442    HB3  LYS  56           HB3      LYS  56  -6.759  11.039  -2.307
  443    HG2  LYS  56           HG2      LYS  56  -7.409  11.874  -0.108
  444    HG3  LYS  56           HG3      LYS  56  -5.831  11.450   0.573
  445    HD2  LYS  56           HD2      LYS  56  -4.738  12.971  -1.066
  446    HD3  LYS  56           HD3      LYS  56  -6.330  13.452  -1.668
  447    HE2  LYS  56           HE2      LYS  56  -5.361  13.802   1.213
  448    HE3  LYS  56           HE3      LYS  56  -5.261  15.057  -0.023
  449    HZ1  LYS  56           HZ1      LYS  56  -7.685  14.999  -0.205
  450    HZ2  LYS  56           HZ2      LYS  56  -7.231  15.352   1.323
  451    HZ3  LYS  56           HZ3      LYS  56  -7.788  13.859   0.967
  452    H    VAL  57           H        VAL  57  -5.017   7.992  -2.440
  453    HA   VAL  57           HA       VAL  57  -6.792   7.389  -4.639
  454    HB   VAL  57           HB       VAL  57  -4.193   5.997  -3.878
  455   HG11  VAL  57          HG11      VAL  57  -4.236   5.365  -6.373
  456   HG12  VAL  57          HG12      VAL  57  -5.386   4.493  -5.355
  457   HG13  VAL  57          HG13      VAL  57  -5.937   5.838  -6.385
  458   HG21  VAL  57          HG21      VAL  57  -3.991   8.437  -4.399
  459   HG22  VAL  57          HG22      VAL  57  -3.195   7.415  -5.600
  460   HG23  VAL  57          HG23      VAL  57  -4.778   8.150  -5.959
  461    H    LEU  58           H        LEU  58  -5.718   5.371  -1.847
  462    HA   LEU  58           HA       LEU  58  -7.247   3.068  -2.685
  463    HB2  LEU  58           HB2      LEU  58  -6.078   3.803   0.023
  464    HB3  LEU  58           HB3      LEU  58  -6.680   2.208  -0.434
  465    HG   LEU  58           HG       LEU  58  -4.298   3.625  -1.731
  466   HD11  LEU  58          HD11      LEU  58  -3.909   2.842   0.601
  467   HD12  LEU  58          HD12      LEU  58  -2.932   1.972  -0.600
  468   HD13  LEU  58          HD13      LEU  58  -4.375   1.209   0.086
  469   HD21  LEU  58          HD21      LEU  58  -5.247   2.265  -3.419
  470   HD22  LEU  58          HD22      LEU  58  -5.506   0.903  -2.292
  471   HD23  LEU  58          HD23      LEU  58  -3.862   1.390  -2.769
  472    H    LYS  59           H        LYS  59  -8.128   5.811  -0.578
  473    HA   LYS  59           HA       LYS  59 -10.684   4.639   0.182
  474    HB2  LYS  59           HB2      LYS  59  -9.574   7.469   0.266
  475    HB3  LYS  59           HB3      LYS  59 -11.171   7.021   0.884
  476    HG2  LYS  59           HG2      LYS  59 -10.197   5.415   2.444
  477    HG3  LYS  59           HG3      LYS  59  -8.575   5.730   1.845
  478    HD2  LYS  59           HD2      LYS  59  -8.815   8.148   2.519
  479    HD3  LYS  59           HD3      LYS  59 -10.381   7.738   3.258
  480    HE2  LYS  59           HE2      LYS  59  -9.209   6.039   4.682
  481    HE3  LYS  59           HE3      LYS  59  -7.666   6.525   3.977
  482    HZ1  LYS  59           HZ1      LYS  59  -8.027   8.751   4.926
  483    HZ2  LYS  59           HZ2      LYS  59  -8.056   7.607   6.103
  484    HZ3  LYS  59           HZ3      LYS  59  -9.451   8.282   5.578
  485    H    LYS  60           H        LYS  60  -9.702   6.731  -2.553
  486    HA   LYS  60           HA       LYS  60 -12.493   7.081  -3.421
  487    HB2  LYS  60           HB2      LYS  60  -9.807   7.871  -4.616
  488    HB3  LYS  60           HB3      LYS  60 -11.347   8.236  -5.380
  489    HG2  LYS  60           HG2      LYS  60 -10.597   9.194  -2.581
  490    HG3  LYS  60           HG3      LYS  60 -10.354  10.122  -4.064
  491    HD2  LYS  60           HD2      LYS  60 -12.812  10.034  -4.507
  492    HD3  LYS  60           HD3      LYS  60 -13.042   9.188  -2.960
  493    HE2  LYS  60           HE2      LYS  60 -12.016  11.097  -1.755
  494    HE3  LYS  60           HE3      LYS  60 -11.772  11.943  -3.290
  495    HZ1  LYS  60           HZ1      LYS  60 -14.188  11.970  -3.584
  496    HZ2  LYS  60           HZ2      LYS  60 -13.786  12.696  -2.178
  497    HZ3  LYS  60           HZ3      LYS  60 -14.415  11.189  -2.164
  498    H    ASP  61           H        ASP  61  -9.686   5.269  -4.767
  499    HA   ASP  61           HA       ASP  61 -11.327   4.345  -7.009
  500    HB2  ASP  61           HB2      ASP  61  -8.924   5.092  -7.166
  501    HB3  ASP  61           HB3      ASP  61  -8.459   3.633  -6.301
  502    H    PHE  62           H        PHE  62  -9.780   2.783  -4.172
  503    HA   PHE  62           HA       PHE  62 -10.916   0.144  -4.897
  504    HB2  PHE  62           HB2      PHE  62  -9.026   1.030  -2.682
  505    HB3  PHE  62           HB3      PHE  62  -9.586  -0.599  -2.917
  506    HD1  PHE  62           HD1      PHE  62  -7.663   2.134  -4.643
  507    HD2  PHE  62           HD2      PHE  62  -8.435  -2.092  -4.291
  508    HE1  PHE  62           HE1      PHE  62  -5.672   1.659  -6.017
  509    HE2  PHE  62           HE2      PHE  62  -6.413  -2.563  -5.640
  510    HZ   PHE  62           HZ       PHE  62  -5.034  -0.706  -6.523
  511    H    ALA  63           H        ALA  63 -11.843   2.821  -3.018
  512    HA   ALA  63           HA       ALA  63 -13.420   3.255  -1.457
  513    HB1  ALA  63           HB1      ALA  63 -14.874   2.075  -3.094
  514    HB2  ALA  63           HB2      ALA  63 -14.643   0.565  -2.181
  515    HB3  ALA  63           HB3      ALA  63 -15.447   1.948  -1.423
  516    H    CYS  64           H        CYS  64 -10.942   2.121  -0.555
  517    HA   CYS  64           HA       CYS  64 -11.549   0.299   1.689
  518    HB2  CYS  64           HB2      CYS  64  -9.002   1.611   0.623
  519    HB3  CYS  64           HB3      CYS  64  -9.041   0.568   2.051
  520    HG   CYS  64           HG       CYS  64  -8.130  -0.783  -0.028
  521    H    ASN  65           H        ASN  65 -10.214   1.014   3.786
  522    HA   ASN  65           HA       ASN  65 -10.508   3.898   4.383
  523    HB2  ASN  65           HB2      ASN  65 -12.584   2.814   5.222
  524    HB3  ASN  65           HB3      ASN  65 -11.611   1.685   6.170
  525   HD21  ASN  65          HD21      ASN  65 -12.556   5.127   5.822
  526   HD22  ASN  65          HD22      ASN  65 -12.059   5.578   7.443
  527    H    GLY  66           H        GLY  66  -8.938   4.627   5.956
  528    HA2  GLY  66           HA2      GLY  66  -7.056   2.868   7.202
  529    HA3  GLY  66           HA3      GLY  66  -6.413   3.385   5.668
  530    H    ASN  67           H        ASN  67  -4.939   3.899   7.659
  531    HA   ASN  67           HA       ASN  67  -4.826   6.792   7.928
  532    HB2  ASN  67           HB2      ASN  67  -5.128   7.059  10.222
  533    HB3  ASN  67           HB3      ASN  67  -6.466   6.027   9.747
  534   HD21  ASN  67          HD21      ASN  67  -5.760   3.472   9.937
  535   HD22  ASN  67          HD22      ASN  67  -4.929   3.104  11.441
  536    H    ILE  68           H        ILE  68  -2.861   7.524   9.147
  537    HA   ILE  68           HA       ILE  68  -0.547   5.696   8.617
  538    HB   ILE  68           HB       ILE  68  -0.689   8.709   8.992
  539   HG12  ILE  68          HG12      ILE  68   0.165   7.259   6.464
  540   HG13  ILE  68          HG13      ILE  68  -1.534   7.576   6.754
  541   HG21  ILE  68          HG21      ILE  68   1.702   6.907   8.364
  542   HG22  ILE  68          HG22      ILE  68   1.723   8.679   8.283
  543   HG23  ILE  68          HG23      ILE  68   1.470   7.886   9.829
  544   HD11  ILE  68          HD11      ILE  68  -0.648   9.340   5.381
  545   HD12  ILE  68          HD12      ILE  68  -1.088  10.003   6.963
  546   HD13  ILE  68          HD13      ILE  68   0.621   9.709   6.566
  547    H    VAL  69           H        VAL  69   0.719   4.965  10.242
  548    HA   VAL  69           HA       VAL  69   0.482   6.127  12.998
  549    HB   VAL  69           HB       VAL  69   0.367   3.153  12.321
  550   HG11  VAL  69          HG11      VAL  69   0.021   2.833  14.780
  551   HG12  VAL  69          HG12      VAL  69   1.624   3.440  14.391
  552   HG13  VAL  69          HG13      VAL  69   0.391   4.554  15.030
  553   HG21  VAL  69          HG21      VAL  69  -1.821   4.138  11.942
  554   HG22  VAL  69          HG22      VAL  69  -1.872   3.248  13.464
  555   HG23  VAL  69          HG23      VAL  69  -1.744   5.014  13.492
  556    H    LYS  70           H        LYS  70   2.400   6.196  14.098
  557    HA   LYS  70           HA       LYS  70   4.845   5.090  12.781
  558    HB2  LYS  70           HB2      LYS  70   4.745   7.535  13.418
  559    HB3  LYS  70           HB3      LYS  70   4.688   7.031  15.115
  560    HG2  LYS  70           HG2      LYS  70   6.855   5.757  14.720
  561    HG3  LYS  70           HG3      LYS  70   6.883   6.423  13.076
  562    HD2  LYS  70           HD2      LYS  70   6.903   8.741  14.072
  563    HD3  LYS  70           HD3      LYS  70   6.977   7.999  15.687
  564    HE2  LYS  70           HE2      LYS  70   9.064   6.759  14.914
  565    HE3  LYS  70           HE3      LYS  70   9.006   7.710  13.424
  566    HZ1  LYS  70           HZ1      LYS  70   9.317   8.806  16.168
  567    HZ2  LYS  70           HZ2      LYS  70   9.206   9.727  14.820
  568    HZ3  LYS  70           HZ3      LYS  70  10.488   8.729  15.032
  569    H    ASP  71           H        ASP  71   5.077   3.001  13.315
  570    HA   ASP  71           HA       ASP  71   4.155   1.923  15.867
  571    HB2  ASP  71           HB2      ASP  71   3.868   0.833  13.593
  572    HB3  ASP  71           HB3      ASP  71   5.603   0.584  13.577
  573    HA   PRO  72           HA       PRO  72   8.154   2.080  17.948
  574    HB2  PRO  72           HB2      PRO  72   7.318  -0.582  19.105
  575    HB3  PRO  72           HB3      PRO  72   7.988   0.850  19.943
  576    HG2  PRO  72           HG2      PRO  72   5.336   0.313  20.034
  577    HG3  PRO  72           HG3      PRO  72   5.904   2.001  19.788
  578    HD2  PRO  72           HD2      PRO  72   4.897   0.029  17.735
  579    HD3  PRO  72           HD3      PRO  72   4.528   1.772  17.919
  580    H    GLU  73           H        GLU  73   7.193  -0.912  16.246
  581    HA   GLU  73           HA       GLU  73  10.065  -1.739  15.965
  582    HB2  GLU  73           HB2      GLU  73   7.502  -3.367  15.659
  583    HB3  GLU  73           HB3      GLU  73   9.158  -3.956  15.470
  584    HG2  GLU  73           HG2      GLU  73   9.597  -3.196  17.849
  585    HG3  GLU  73           HG3      GLU  73   7.864  -2.916  18.022
  586    H    MET  74           H        MET  74   6.997  -1.494  14.135
  587    HA   MET  74           HA       MET  74   8.298  -2.040  11.572
  588    HB2  MET  74           HB2      MET  74   5.468  -1.196  12.303
  589    HB3  MET  74           HB3      MET  74   5.993  -1.470  10.656
  590    HG2  MET  74           HG2      MET  74   6.685  -3.805  11.334
  591    HG3  MET  74           HG3      MET  74   5.954  -3.499  12.914
  592    HE1  MET  74           HE1      MET  74   4.413  -5.610  12.714
  593    HE2  MET  74           HE2      MET  74   3.436  -5.992  11.284
  594    HE3  MET  74           HE3      MET  74   5.210  -5.977  11.166
  595    H    GLY  75           H        GLY  75   7.793   0.915  13.331
  596    HA2  GLY  75           HA2      GLY  75   8.521   3.074  12.801
  597    HA3  GLY  75           HA3      GLY  75   8.986   2.519  11.179
  598    H    GLU  76           H        GLU  76   8.032   4.501  10.354
  599    HA   GLU  76           HA       GLU  76   5.261   5.081  10.700
  600    HB2  GLU  76           HB2      GLU  76   7.258   6.624  10.087
  601    HB3  GLU  76           HB3      GLU  76   6.974   6.091   8.420
  602    HG2  GLU  76           HG2      GLU  76   4.600   6.824   8.659
  603    HG3  GLU  76           HG3      GLU  76   4.942   7.311  10.326
  604    H    ILE  77           H        ILE  77   3.599   4.057   9.877
  605    HA   ILE  77           HA       ILE  77   3.692   2.639   7.255
  606    HB   ILE  77           HB       ILE  77   2.510   0.733   8.323
  607   HG12  ILE  77          HG12      ILE  77   3.352   1.970  10.980
  608   HG13  ILE  77          HG13      ILE  77   1.699   1.827  10.379
  609   HG21  ILE  77          HG21      ILE  77   4.955   0.763   7.771
  610   HG22  ILE  77          HG22      ILE  77   5.286   1.097   9.483
  611   HG23  ILE  77          HG23      ILE  77   4.472  -0.410   8.995
  612   HD11  ILE  77          HD11      ILE  77   3.560  -0.419  11.202
  613   HD12  ILE  77          HD12      ILE  77   2.028   0.068  11.945
  614   HD13  ILE  77          HD13      ILE  77   2.036  -0.685  10.337
  615    H    ILE  78           H        ILE  78   1.729   2.228   6.278
  616    HA   ILE  78           HA       ILE  78  -0.645   3.769   7.274
  617    HB   ILE  78           HB       ILE  78  -0.035   2.498   4.591
  618   HG12  ILE  78          HG12      ILE  78  -0.605   5.427   5.150
  619   HG13  ILE  78          HG13      ILE  78   1.031   4.773   5.226
  620   HG21  ILE  78          HG21      ILE  78  -2.600   3.818   5.559
  621   HG22  ILE  78          HG22      ILE  78  -2.248   3.474   3.853
  622   HG23  ILE  78          HG23      ILE  78  -2.397   2.152   4.986
  623   HD11  ILE  78          HD11      ILE  78   0.865   3.967   2.907
  624   HD12  ILE  78          HD12      ILE  78  -0.763   4.681   2.776
  625   HD13  ILE  78          HD13      ILE  78   0.639   5.721   3.027
  626    H    GLN  79           H        GLN  79  -2.330   2.699   8.096
  627    HA   GLN  79           HA       GLN  79  -2.475  -0.295   7.954
  628    HB2  GLN  79           HB2      GLN  79  -3.815   1.752   9.771
  629    HB3  GLN  79           HB3      GLN  79  -4.159   0.021   9.790
  630    HG2  GLN  79           HG2      GLN  79  -1.894  -0.475  10.543
  631    HG3  GLN  79           HG3      GLN  79  -1.419   1.222  10.413
  632   HE21  GLN  79          HE21      GLN  79  -1.115  -0.199  12.852
  633   HE22  GLN  79          HE22      GLN  79  -2.253   0.490  13.997
  634    H    LEU  80           H        LEU  80  -3.880  -0.981   6.406
  635    HA   LEU  80           HA       LEU  80  -6.227   0.713   5.665
  636    HB2  LEU  80           HB2      LEU  80  -4.305  -0.266   3.970
  637    HB3  LEU  80           HB3      LEU  80  -5.372  -1.668   4.038
  638    HG   LEU  80           HG       LEU  80  -7.271  -0.203   3.289
  639   HD11  LEU  80          HD11      LEU  80  -6.703   1.987   2.233
  640   HD12  LEU  80          HD12      LEU  80  -5.036   1.844   2.833
  641   HD13  LEU  80          HD13      LEU  80  -6.380   2.026   3.967
  642   HD21  LEU  80          HD21      LEU  80  -6.041  -1.590   1.669
  643   HD22  LEU  80          HD22      LEU  80  -4.784  -0.376   1.526
  644   HD23  LEU  80          HD23      LEU  80  -6.417  -0.044   0.904
  645    H    GLN  81           H        GLN  81  -8.283  -0.169   6.021
  646    HA   GLN  81           HA       GLN  81  -8.428  -2.364   7.910
  647    HB2  GLN  81           HB2      GLN  81 -10.562  -0.737   6.469
  648    HB3  GLN  81           HB3      GLN  81 -10.930  -2.067   7.560
  649    HG2  GLN  81           HG2      GLN  81  -9.369  -0.794   9.271
  650    HG3  GLN  81           HG3      GLN  81  -9.644   0.596   8.222
  651   HE21  GLN  81          HE21      GLN  81 -11.485   1.841   8.828
  652   HE22  GLN  81          HE22      GLN  81 -12.831   1.169   9.736
  653    H    GLY  82           H        GLY  82  -8.862  -4.451   7.700
  654    HA2  GLY  82           HA2      GLY  82  -9.612  -6.449   6.746
  655    HA3  GLY  82           HA3      GLY  82  -9.901  -5.639   5.200
  656    H    ASP  83           H        ASP  83  -8.901  -7.685   4.501
  657    HA   ASP  83           HA       ASP  83  -5.914  -7.727   4.485
  658    HB2  ASP  83           HB2      ASP  83  -6.989  -9.797   5.130
  659    HB3  ASP  83           HB3      ASP  83  -8.017  -9.771   3.696
  660    H    GLN  84           H        GLN  84  -5.331  -6.161   3.024
  661    HA   GLN  84           HA       GLN  84  -6.533  -6.194   0.288
  662    HB2  GLN  84           HB2      GLN  84  -5.373  -3.798   1.704
  663    HB3  GLN  84           HB3      GLN  84  -6.425  -3.814   0.292
  664    HG2  GLN  84           HG2      GLN  84  -7.196  -4.391   3.187
  665    HG3  GLN  84           HG3      GLN  84  -7.637  -2.991   2.247
  666   HE21  GLN  84          HE21      GLN  84  -9.623  -4.202   3.503
  667   HE22  GLN  84          HE22      GLN  84 -10.631  -5.123   2.377
  668    H    ARG  85           H        ARG  85  -4.059  -7.610   1.287
  669    HA   ARG  85           HA       ARG  85  -1.846  -6.131   0.507
  670    HB2  ARG  85           HB2      ARG  85  -0.563  -8.213   0.707
  671    HB3  ARG  85           HB3      ARG  85  -1.686  -7.935   2.036
  672    HG2  ARG  85           HG2      ARG  85  -3.326  -9.492   0.797
  673    HG3  ARG  85           HG3      ARG  85  -1.976  -9.956  -0.227
  674    HD2  ARG  85           HD2      ARG  85  -0.927 -11.135   1.468
  675    HD3  ARG  85           HD3      ARG  85  -1.486 -10.039   2.728
  676    HE   ARG  85           HE       ARG  85  -3.766 -11.002   2.421
  677   HH11  ARG  85          HH11      ARG  85  -0.987 -13.124   1.754
  678   HH12  ARG  85          HH12      ARG  85  -1.897 -14.549   2.158
  679   HH21  ARG  85          HH21      ARG  85  -4.835 -12.800   2.881
  680   HH22  ARG  85          HH22      ARG  85  -4.080 -14.380   2.777
  681    H    ALA  86           H        ALA  86  -3.580  -8.484  -1.534
  682    HA   ALA  86           HA       ALA  86  -1.872  -8.171  -3.844
  683    HB1  ALA  86           HB1      ALA  86  -3.762  -9.255  -5.018
  684    HB2  ALA  86           HB2      ALA  86  -3.390 -10.093  -3.500
  685    HB3  ALA  86           HB3      ALA  86  -4.802  -9.014  -3.598
  686    H    LYS  87           H        LYS  87  -4.805  -6.467  -2.740
  687    HA   LYS  87           HA       LYS  87  -5.183  -4.820  -5.058
  688    HB2  LYS  87           HB2      LYS  87  -5.976  -4.402  -2.142
  689    HB3  LYS  87           HB3      LYS  87  -6.563  -3.445  -3.484
  690    HG2  LYS  87           HG2      LYS  87  -7.566  -5.505  -4.510
  691    HG3  LYS  87           HG3      LYS  87  -7.006  -6.433  -3.101
  692    HD2  LYS  87           HD2      LYS  87  -8.266  -4.734  -1.659
  693    HD3  LYS  87           HD3      LYS  87  -9.039  -4.164  -3.143
  694    HE2  LYS  87           HE2      LYS  87 -10.031  -6.349  -3.551
  695    HE3  LYS  87           HE3      LYS  87  -9.051  -7.087  -2.273
  696    HZ1  LYS  87           HZ1      LYS  87 -11.272  -6.658  -1.461
  697    HZ2  LYS  87           HZ2      LYS  87 -11.167  -5.062  -1.819
  698    HZ3  LYS  87           HZ3      LYS  87 -10.202  -5.706  -0.657
  699    H    VAL  88           H        VAL  88  -3.487  -4.119  -1.963
  700    HA   VAL  88           HA       VAL  88  -2.586  -1.521  -2.824
  701    HB   VAL  88           HB       VAL  88  -1.521  -3.349  -0.652
  702   HG11  VAL  88          HG11      VAL  88   0.317  -1.807  -1.315
  703   HG12  VAL  88          HG12      VAL  88  -0.797  -0.426  -1.201
  704   HG13  VAL  88          HG13      VAL  88  -0.348  -1.357   0.244
  705   HG21  VAL  88          HG21      VAL  88  -2.707  -1.724   0.817
  706   HG22  VAL  88          HG22      VAL  88  -3.243  -0.823  -0.622
  707   HG23  VAL  88          HG23      VAL  88  -3.833  -2.461  -0.331
  708    H    CYS  89           H        CYS  89  -1.031  -4.771  -3.150
  709    HA   CYS  89           HA       CYS  89   1.390  -3.857  -4.353
  710    HB2  CYS  89           HB2      CYS  89   0.865  -6.171  -3.537
  711    HB3  CYS  89           HB3      CYS  89  -0.198  -6.405  -4.936
  712    HG   CYS  89           HG       CYS  89   2.087  -7.652  -5.351
  713    H    GLU  90           H        GLU  90  -1.729  -4.729  -5.925
  714    HA   GLU  90           HA       GLU  90  -1.019  -3.998  -8.547
  715    HB2  GLU  90           HB2      GLU  90  -3.011  -5.317  -7.824
  716    HB3  GLU  90           HB3      GLU  90  -3.776  -3.823  -7.261
  717    HG2  GLU  90           HG2      GLU  90  -3.737  -2.912  -9.536
  718    HG3  GLU  90           HG3      GLU  90  -2.814  -4.309 -10.106
  719    H    PHE  91           H        PHE  91  -2.248  -1.855  -5.889
  720    HA   PHE  91           HA       PHE  91  -2.539   0.511  -7.482
  721    HB2  PHE  91           HB2      PHE  91  -3.524   0.607  -5.357
  722    HB3  PHE  91           HB3      PHE  91  -2.152  -0.109  -4.555
  723    HD1  PHE  91           HD1      PHE  91  -3.095   3.003  -6.446
  724    HD2  PHE  91           HD2      PHE  91  -0.628   1.223  -3.400
  725    HE1  PHE  91           HE1      PHE  91  -2.123   5.238  -5.910
  726    HE2  PHE  91           HE2      PHE  91   0.285   3.460  -2.832
  727    HZ   PHE  91           HZ       PHE  91  -0.501   5.478  -4.080
  728    H    MET  92           H        MET  92   0.256  -0.709  -5.595
  729    HA   MET  92           HA       MET  92   2.053   1.440  -6.155
  730    HB2  MET  92           HB2      MET  92   2.567  -1.494  -5.578
  731    HB3  MET  92           HB3      MET  92   3.814  -0.253  -5.519
  732    HG2  MET  92           HG2      MET  92   1.310  -0.110  -3.823
  733    HG3  MET  92           HG3      MET  92   2.703  -1.050  -3.324
  734    HE1  MET  92           HE1      MET  92   2.134   0.359  -1.105
  735    HE2  MET  92           HE2      MET  92   2.300   2.128  -1.002
  736    HE3  MET  92           HE3      MET  92   0.980   1.414  -1.943
  737    H    ILE  93           H        ILE  93   1.493  -1.647  -7.892
  738    HA   ILE  93           HA       ILE  93   3.432  -1.142  -9.990
  739    HB   ILE  93           HB       ILE  93   1.018  -3.002  -9.892
  740   HG12  ILE  93          HG12      ILE  93   3.974  -3.703  -9.582
  741   HG13  ILE  93          HG13      ILE  93   2.945  -3.343  -8.212
  742   HG21  ILE  93          HG21      ILE  93   2.125  -4.214 -11.781
  743   HG22  ILE  93          HG22      ILE  93   1.674  -2.585 -12.248
  744   HG23  ILE  93          HG23      ILE  93   3.370  -2.952 -11.850
  745   HD11  ILE  93          HD11      ILE  93   2.434  -5.649 -10.126
  746   HD12  ILE  93          HD12      ILE  93   3.155  -5.752  -8.520
  747   HD13  ILE  93          HD13      ILE  93   1.469  -5.219  -8.700
  748    H    SER  94           H        SER  94  -0.127  -0.668  -9.910
  749    HA   SER  94           HA       SER  94  -0.228   0.186 -12.670
  750    HB2  SER  94           HB2      SER  94  -2.049  -1.014 -11.594
  751    HB3  SER  94           HB3      SER  94  -2.258   0.286 -10.408
  752    HG   SER  94           HG       SER  94  -3.716   0.233 -12.336
  753    H    GLN  95           H        GLN  95  -0.539   2.035  -9.584
  754    HA   GLN  95           HA       GLN  95  -1.014   4.513 -11.169
  755    HB2  GLN  95           HB2      GLN  95  -1.330   3.930  -8.199
  756    HB3  GLN  95           HB3      GLN  95  -1.795   5.419  -9.013
  757    HG2  GLN  95           HG2      GLN  95  -3.026   2.665  -9.502
  758    HG3  GLN  95           HG3      GLN  95  -3.749   3.988  -8.602
  759   HE21  GLN  95          HE21      GLN  95  -3.286   2.664 -11.842
  760   HE22  GLN  95          HE22      GLN  95  -4.104   3.987 -12.653
  761    H    LEU  96           H        LEU  96   1.333   3.235  -8.765
  762    HA   LEU  96           HA       LEU  96   2.848   5.790  -8.911
  763    HB2  LEU  96           HB2      LEU  96   3.550   3.281  -7.354
  764    HB3  LEU  96           HB3      LEU  96   4.235   4.881  -7.181
  765    HG   LEU  96           HG       LEU  96   1.397   4.055  -6.434
  766   HD11  LEU  96          HD11      LEU  96   2.154   4.598  -4.150
  767   HD12  LEU  96          HD12      LEU  96   3.770   4.999  -4.772
  768   HD13  LEU  96          HD13      LEU  96   3.151   3.342  -4.894
  769   HD21  LEU  96          HD21      LEU  96   1.237   6.339  -7.269
  770   HD22  LEU  96          HD22      LEU  96   2.685   6.819  -6.362
  771   HD23  LEU  96          HD23      LEU  96   1.192   6.389  -5.506
  772    H    GLY  97           H        GLY  97   2.837   2.724 -10.496
  773    HA2  GLY  97           HA2      GLY  97   4.100   2.011 -12.309
  774    HA3  GLY  97           HA3      GLY  97   5.088   3.488 -12.192
  775    H    LEU  98           H        LEU  98   4.782   1.546  -9.304
  776    HA   LEU  98           HA       LEU  98   7.648   1.140  -9.208
  777    HB2  LEU  98           HB2      LEU  98   5.355   0.274  -7.414
  778    HB3  LEU  98           HB3      LEU  98   7.027  -0.113  -7.056
  779    HG   LEU  98           HG       LEU  98   6.100   2.767  -7.481
  780   HD11  LEU  98          HD11      LEU  98   6.286   1.218  -4.869
  781   HD12  LEU  98          HD12      LEU  98   4.817   1.854  -5.629
  782   HD13  LEU  98          HD13      LEU  98   6.041   2.973  -5.017
  783   HD21  LEU  98          HD21      LEU  98   8.522   2.470  -7.692
  784   HD22  LEU  98          HD22      LEU  98   8.575   1.524  -6.189
  785   HD23  LEU  98          HD23      LEU  98   8.172   3.246  -6.147
  786    H    GLN  99           H        GLN  99   8.804  -0.834  -9.225
  787    HA   GLN  99           HA       GLN  99   7.758  -2.653 -11.235
  788    HB2  GLN  99           HB2      GLN  99  10.376  -2.512  -9.708
  789    HB3  GLN  99           HB3      GLN  99  10.020  -3.836 -10.818
  790    HG2  GLN  99           HG2      GLN  99  10.031  -0.884 -11.600
  791    HG3  GLN  99           HG3      GLN  99  11.371  -1.996 -11.838
  792   HE21  GLN  99          HE21      GLN  99  10.712  -0.876 -14.126
  793   HE22  GLN  99          HE22      GLN  99   9.711  -1.933 -15.110
  794    H    LYS 100           H        LYS 100   7.330  -4.812 -11.139
  795    HA   LYS 100           HA       LYS 100   5.652  -5.455  -8.982
  796    HB2  LYS 100           HB2      LYS 100   6.724  -7.414 -11.053
  797    HB3  LYS 100           HB3      LYS 100   5.274  -7.557 -10.066
  798    HG2  LYS 100           HG2      LYS 100   4.415  -6.980 -12.101
  799    HG3  LYS 100           HG3      LYS 100   4.412  -5.437 -11.250
  800    HD2  LYS 100           HD2      LYS 100   6.300  -4.636 -12.532
  801    HD3  LYS 100           HD3      LYS 100   6.626  -6.266 -13.157
  802    HE2  LYS 100           HE2      LYS 100   4.439  -6.209 -14.351
  803    HE3  LYS 100           HE3      LYS 100   4.132  -4.590 -13.709
  804    HZ1  LYS 100           HZ1      LYS 100   6.116  -3.822 -14.909
  805    HZ2  LYS 100           HZ2      LYS 100   5.042  -4.483 -15.949
  806    HZ3  LYS 100           HZ3      LYS 100   6.376  -5.318 -15.514
  807    H    LYS 101           H        LYS 101   8.904  -6.699  -9.717
  808    HA   LYS 101           HA       LYS 101   9.053  -8.581  -7.538
  809    HB2  LYS 101           HB2      LYS 101  11.292  -8.918  -8.245
  810    HB3  LYS 101           HB3      LYS 101  10.369  -8.594  -9.713
  811    HG2  LYS 101           HG2      LYS 101  11.158  -6.162  -9.534
  812    HG3  LYS 101           HG3      LYS 101  12.217  -6.688  -8.208
  813    HD2  LYS 101           HD2      LYS 101  13.202  -8.391  -9.844
  814    HD3  LYS 101           HD3      LYS 101  12.340  -7.530 -11.125
  815    HE2  LYS 101           HE2      LYS 101  14.468  -6.414  -9.233
  816    HE3  LYS 101           HE3      LYS 101  14.668  -6.756 -10.952
  817    HZ1  LYS 101           HZ1      LYS 101  12.916  -4.657  -9.787
  818    HZ2  LYS 101           HZ2      LYS 101  13.001  -5.008 -11.395
  819    HZ3  LYS 101           HZ3      LYS 101  14.305  -4.413 -10.613
  820    H    ASN 102           H        ASN 102   9.460  -5.129  -7.572
  821    HA   ASN 102           HA       ASN 102  11.237  -5.028  -5.246
  822    HB2  ASN 102           HB2      ASN 102   9.869  -2.897  -6.940
  823    HB3  ASN 102           HB3      ASN 102  10.821  -2.530  -5.514
  824   HD21  ASN 102          HD21      ASN 102  12.982  -2.154  -5.814
  825   HD22  ASN 102          HD22      ASN 102  13.878  -2.672  -7.227
  826    H    ILE 103           H        ILE 103   7.987  -5.645  -5.583
  827    HA   ILE 103           HA       ILE 103   7.258  -4.522  -2.911
  828    HB   ILE 103           HB       ILE 103   5.436  -5.609  -5.086
  829   HG12  ILE 103          HG12      ILE 103   5.672  -2.656  -4.386
  830   HG13  ILE 103          HG13      ILE 103   6.674  -3.350  -5.649
  831   HG21  ILE 103          HG21      ILE 103   4.895  -4.109  -2.472
  832   HG22  ILE 103          HG22      ILE 103   3.655  -4.478  -3.680
  833   HG23  ILE 103          HG23      ILE 103   4.463  -5.792  -2.843
  834   HD11  ILE 103          HD11      ILE 103   3.652  -3.447  -5.646
  835   HD12  ILE 103          HD12      ILE 103   4.692  -2.391  -6.629
  836   HD13  ILE 103          HD13      ILE 103   4.733  -4.151  -6.867
  837    H    LYS 104           H        LYS 104   6.841  -5.858  -1.311
  838    HA   LYS 104           HA       LYS 104   6.920  -8.828  -1.741
  839    HB2  LYS 104           HB2      LYS 104   8.008  -7.127   0.545
  840    HB3  LYS 104           HB3      LYS 104   8.006  -8.892   0.496
  841    HG2  LYS 104           HG2      LYS 104   9.547  -7.071  -1.409
  842    HG3  LYS 104           HG3      LYS 104  10.207  -7.930  -0.014
  843    HD2  LYS 104           HD2      LYS 104   9.459 -10.103  -1.071
  844    HD3  LYS 104           HD3      LYS 104   9.051  -9.205  -2.540
  845    HE2  LYS 104           HE2      LYS 104  11.798  -9.243  -1.224
  846    HE3  LYS 104           HE3      LYS 104  11.308 -10.337  -2.521
  847    HZ1  LYS 104           HZ1      LYS 104  10.929  -8.365  -3.946
  848    HZ2  LYS 104           HZ2      LYS 104  12.481  -8.469  -3.448
  849    HZ3  LYS 104           HZ3      LYS 104  11.477  -7.386  -2.752
  850    H    ILE 105           H        ILE 105   5.029  -9.726  -1.338
  851    HA   ILE 105           HA       ILE 105   3.151  -8.610   0.713
  852    HB   ILE 105           HB       ILE 105   2.827 -10.765  -1.416
  853   HG12  ILE 105          HG12      ILE 105   1.431  -8.070  -1.013
  854   HG13  ILE 105          HG13      ILE 105   2.712  -8.383  -2.185
  855   HG21  ILE 105          HG21      ILE 105   0.457 -10.932  -0.569
  856   HG22  ILE 105          HG22      ILE 105   1.642 -11.525   0.573
  857   HG23  ILE 105          HG23      ILE 105   0.938  -9.916   0.815
  858   HD11  ILE 105          HD11      ILE 105   1.232 -10.126  -3.263
  859   HD12  ILE 105          HD12      ILE 105  -0.093  -9.557  -2.216
  860   HD13  ILE 105          HD13      ILE 105   0.649  -8.459  -3.378
  861    H    HIS 106           H        HIS 106   3.256  -9.343   2.699
  862    HA   HIS 106           HA       HIS 106   4.686 -11.922   3.275
  863    HB2  HIS 106           HB2      HIS 106   4.176  -9.453   4.945
  864    HB3  HIS 106           HB3      HIS 106   5.065 -10.878   5.487
  865    HD2  HIS 106           HD2      HIS 106   5.556  -7.603   3.749
  866    HE1  HIS 106           HE1      HIS 106   9.129  -9.768   2.932
  867    HE2  HIS 106           HE2      HIS 106   8.036  -7.473   2.879
  868    H    GLY 107           H        GLY 107   1.633 -10.211   3.859
  869    HA2  GLY 107           HA2      GLY 107  -0.452 -11.059   4.482
  870    HA3  GLY 107           HA3      GLY 107   0.252 -12.684   4.491
  871    H    PHE 108           H        PHE 108  -0.979 -13.175   6.283
  872    HA   PHE 108           HA       PHE 108  -0.918 -11.811   8.837
  873    HB2  PHE 108           HB2      PHE 108  -1.745 -14.635   8.078
  874    HB3  PHE 108           HB3      PHE 108  -2.019 -13.878   9.634
  875    HD1  PHE 108           HD2      PHE 108  -3.731 -12.173   9.973
  876    HD2  PHE 108           HD1      PHE 108  -3.135 -14.011   6.116
  877    HE1  PHE 108           HE2      PHE 108  -5.963 -11.370   9.241
  878    HE2  PHE 108           HE1      PHE 108  -5.354 -13.175   5.380
  879    HZ   PHE 108           HZ       PHE 108  -6.769 -11.854   6.937
  Start of MODEL   17
    1    H1   MET   1           H        MET   1   1.279 -27.924  22.675
    2    H2   MET   1           H2       MET   1   0.662 -29.265  21.973
    3    H3   MET   1           H3       MET   1  -0.202 -27.879  22.021
    4    HA   MET   1           HA       MET   1   2.352 -28.181  20.535
    5    HB2  MET   1           HB2      MET   1  -0.491 -28.311  19.454
    6    HB3  MET   1           HB3      MET   1   0.948 -28.085  18.460
    7    HG2  MET   1           HG2      MET   1   0.443 -30.369  18.341
    8    HG3  MET   1           HG3      MET   1   1.882 -30.232  19.337
    9    HE1  MET   1           HE1      MET   1   0.197 -32.859  19.003
   10    HE2  MET   1           HE2      MET   1   1.636 -32.726  20.039
   11    HE3  MET   1           HE3      MET   1   0.144 -33.447  20.677
   12    H    SER   2           H        SER   2   2.898 -26.434  19.094
   13    HA   SER   2           HA       SER   2   2.665 -23.912  20.350
   14    HB2  SER   2           HB2      SER   2   3.692 -24.516  17.555
   15    HB3  SER   2           HB3      SER   2   4.137 -23.149  18.592
   16    HG   SER   2           HG       SER   2   5.713 -24.830  18.669
   17    H    ILE   3           H        ILE   3   0.346 -25.191  18.260
   18    HA   ILE   3           HA       ILE   3  -0.321 -22.858  16.701
   19    HB   ILE   3           HB       ILE   3  -2.430 -24.155  16.189
   20   HG12  ILE   3          HG12      ILE   3  -2.547 -26.523  16.672
   21   HG13  ILE   3          HG13      ILE   3  -1.108 -26.465  17.680
   22   HG21  ILE   3          HG21      ILE   3  -1.247 -25.752  14.768
   23   HG22  ILE   3          HG22      ILE   3  -0.405 -24.196  14.797
   24   HG23  ILE   3          HG23      ILE   3   0.230 -25.565  15.734
   25   HD11  ILE   3          HD11      ILE   3  -3.267 -26.598  18.941
   26   HD12  ILE   3          HD12      ILE   3  -2.287 -25.201  19.392
   27   HD13  ILE   3          HD13      ILE   3  -3.701 -24.993  18.323
   28    H    GLU   4           H        GLU   4  -0.726 -23.146  19.969
   29    HA   GLU   4           HA       GLU   4  -2.550 -20.863  20.028
   30    HB2  GLU   4           HB2      GLU   4  -4.085 -22.832  20.014
   31    HB3  GLU   4           HB3      GLU   4  -3.289 -23.450  21.465
   32    HG2  GLU   4           HG2      GLU   4  -4.024 -21.461  22.733
   33    HG3  GLU   4           HG3      GLU   4  -4.707 -20.755  21.265
   34    H    ASN   5           H        ASN   5  -2.164 -19.560  21.765
   35    HA   ASN   5           HA       ASN   5  -0.834 -20.406  24.189
   36    HB2  ASN   5           HB2      ASN   5   1.079 -20.243  22.516
   37    HB3  ASN   5           HB3      ASN   5   0.680 -18.540  22.311
   38   HD21  ASN   5          HD21      ASN   5   2.881 -18.047  23.048
   39   HD22  ASN   5          HD22      ASN   5   3.255 -18.127  24.761
   40    H    LEU   6           H        LEU   6  -0.669 -18.649  25.753
   41    HA   LEU   6           HA       LEU   6  -2.867 -16.710  25.563
   42    HB2  LEU   6           HB2      LEU   6  -0.808 -17.363  27.722
   43    HB3  LEU   6           HB3      LEU   6  -1.972 -16.066  27.874
   44    HG   LEU   6           HG       LEU   6  -2.707 -17.934  29.138
   45   HD11  LEU   6          HD11      LEU   6  -4.514 -17.722  26.696
   46   HD12  LEU   6          HD12      LEU   6  -4.432 -16.536  28.019
   47   HD13  LEU   6          HD13      LEU   6  -4.977 -18.191  28.340
   48   HD21  LEU   6          HD21      LEU   6  -2.905 -19.651  26.637
   49   HD22  LEU   6          HD22      LEU   6  -3.274 -20.107  28.305
   50   HD23  LEU   6          HD23      LEU   6  -1.598 -19.765  27.841
   51    H    LYS   7           H        LYS   7  -2.705 -14.489  25.686
   52    HA   LYS   7           HA       LYS   7  -0.092 -13.162  25.171
   53    HB2  LYS   7           HB2      LYS   7  -2.579 -12.890  23.417
   54    HB3  LYS   7           HB3      LYS   7  -1.157 -11.849  23.331
   55    HG2  LYS   7           HG2      LYS   7   0.250 -13.848  22.761
   56    HG3  LYS   7           HG3      LYS   7  -1.213 -14.843  22.763
   57    HD2  LYS   7           HD2      LYS   7  -0.693 -14.309  20.499
   58    HD3  LYS   7           HD3      LYS   7  -2.166 -13.436  20.941
   59    HE2  LYS   7           HE2      LYS   7  -0.840 -11.360  21.276
   60    HE3  LYS   7           HE3      LYS   7   0.650 -12.240  20.914
   61    HZ1  LYS   7           HZ1      LYS   7  -0.163 -11.035  18.979
   62    HZ2  LYS   7           HZ2      LYS   7  -1.590 -11.830  19.011
   63    HZ3  LYS   7           HZ3      LYS   7  -0.206 -12.639  18.676
   64    H    SER   8           H        SER   8  -0.270 -10.761  25.312
   65    HA   SER   8           HA       SER   8  -2.506  -9.545  26.730
   66    HB2  SER   8           HB2      SER   8  -1.206  -8.964  28.755
   67    HB3  SER   8           HB3      SER   8  -1.516 -10.697  28.615
   68    HG   SER   8           HG       SER   8   0.666 -10.246  29.221
   69    H    PHE   9           H        PHE   9  -2.081  -7.243  27.260
   70    HA   PHE   9           HA       PHE   9  -0.691  -5.959  25.019
   71    HB2  PHE   9           HB2      PHE   9  -2.362  -4.764  27.260
   72    HB3  PHE   9           HB3      PHE   9  -1.859  -3.953  25.787
   73    HD1  PHE   9           HD1      PHE   9  -2.663  -4.969  23.512
   74    HD2  PHE   9           HD2      PHE   9  -4.455  -5.893  27.326
   75    HE1  PHE   9           HE1      PHE   9  -4.736  -5.713  22.362
   76    HE2  PHE   9           HE2      PHE   9  -6.522  -6.635  26.173
   77    HZ   PHE   9           HZ       PHE   9  -6.669  -6.539  23.692
   78    H    ASP  10           H        ASP  10   0.712  -4.131  25.263
   79    HA   ASP  10           HA       ASP  10   2.688  -4.294  27.386
   80    HB2  ASP  10           HB2      ASP  10   3.755  -2.443  26.229
   81    HB3  ASP  10           HB3      ASP  10   3.325  -3.717  25.098
   82    HA   PRO  11           HA       PRO  11   0.717  -1.296  30.087
   83    HB2  PRO  11           HB2      PRO  11   2.760  -0.554  31.703
   84    HB3  PRO  11           HB3      PRO  11   2.084  -2.206  31.716
   85    HG2  PRO  11           HG2      PRO  11   4.572  -1.236  30.274
   86    HG3  PRO  11           HG3      PRO  11   4.383  -2.686  31.309
   87    HD2  PRO  11           HD2      PRO  11   4.210  -2.790  28.571
   88    HD3  PRO  11           HD3      PRO  11   3.242  -3.859  29.628
   89    H    PHE  12           H        PHE  12   3.705  -0.309  28.373
   90    HA   PHE  12           HA       PHE  12   2.713   2.306  27.659
   91    HB2  PHE  12           HB2      PHE  12   5.090   1.981  29.553
   92    HB3  PHE  12           HB3      PHE  12   4.727   3.448  28.668
   93    HD1  PHE  12           HD1      PHE  12   2.634   4.765  29.170
   94    HD2  PHE  12           HD2      PHE  12   3.949   1.478  31.630
   95    HE1  PHE  12           HE1      PHE  12   1.211   5.587  31.032
   96    HE2  PHE  12           HE2      PHE  12   2.531   2.305  33.493
   97    HZ   PHE  12           HZ       PHE  12   1.158   4.360  33.197
   98    H    ALA  13           H        ALA  13   3.981   3.202  26.054
   99    HA   ALA  13           HA       ALA  13   6.479   1.923  25.140
  100    HB1  ALA  13           HB1      ALA  13   5.687   1.800  22.800
  101    HB2  ALA  13           HB2      ALA  13   4.712   0.760  23.855
  102    HB3  ALA  13           HB3      ALA  13   4.069   2.325  23.309
  103    H    ASP  14           H        ASP  14   7.829   3.275  23.955
  104    HA   ASP  14           HA       ASP  14   7.437   6.154  24.413
  105    HB2  ASP  14           HB2      ASP  14   9.788   6.333  24.006
  106    HB3  ASP  14           HB3      ASP  14   9.506   5.001  25.113
  107    H    THR  15           H        THR  15   8.350   7.663  22.760
  108    HA   THR  15           HA       THR  15   8.235   7.052  19.946
  109    HB   THR  15           HB       THR  15   5.811   7.152  20.457
  110    HG1  THR  15           HG1      THR  15   5.397   8.578  18.759
  111   HG21  THR  15          HG21      THR  15   4.727   9.282  20.941
  112   HG22  THR  15          HG22      THR  15   6.294  10.109  21.054
  113   HG23  THR  15          HG23      THR  15   5.838   8.884  22.259
  114    H    GLY  16           H        GLY  16   8.747   8.928  18.635
  115    HA2  GLY  16           HA2      GLY  16   9.517  11.478  19.370
  116    HA3  GLY  16           HA3      GLY  16  10.885  10.496  19.857
  117    H    ASP  17           H        ASP  17  12.107  11.729  18.332
  118    HA   ASP  17           HA       ASP  17  11.648  11.540  15.459
  119    HB2  ASP  17           HB2      ASP  17  13.688  12.814  15.279
  120    HB3  ASP  17           HB3      ASP  17  12.648  13.526  16.500
  121    H    ASP  18           H        ASP  18  13.495  10.838  14.026
  122    HA   ASP  18           HA       ASP  18  15.059   8.504  14.875
  123    HB2  ASP  18           HB2      ASP  18  12.804   7.563  14.392
  124    HB3  ASP  18           HB3      ASP  18  12.851   8.283  12.782
  125    H    GLU  19           H        GLU  19  16.580   7.807  13.240
  126    HA   GLU  19           HA       GLU  19  17.883   9.905  11.847
  127    HB2  GLU  19           HB2      GLU  19  18.104   6.882  11.551
  128    HB3  GLU  19           HB3      GLU  19  19.229   8.033  10.836
  129    HG2  GLU  19           HG2      GLU  19  18.733   7.704  13.829
  130    HG3  GLU  19           HG3      GLU  19  20.077   7.018  12.929
  131    H    THR  20           H        THR  20  15.417   7.658  10.739
  132    HA   THR  20           HA       THR  20  13.999   7.678   9.008
  133    HB   THR  20           HB       THR  20  15.385  10.189   7.983
  134    HG1  THR  20           HG1      THR  20  14.475  10.346  10.086
  135   HG21  THR  20          HG21      THR  20  14.016   9.269   6.201
  136   HG22  THR  20          HG22      THR  20  13.165  10.629   6.930
  137   HG23  THR  20          HG23      THR  20  12.668   8.972   7.329
  138    H    ALA  21           H        ALA  21  13.769   6.806   6.962
  139    HA   ALA  21           HA       ALA  21  16.137   6.341   5.265
  140    HB1  ALA  21           HB1      ALA  21  15.689   3.906   5.160
  141    HB2  ALA  21           HB2      ALA  21  16.094   4.403   6.812
  142    HB3  ALA  21           HB3      ALA  21  14.403   4.080   6.374
  143    H    THR  22           H        THR  22  15.619   5.769   3.108
  144    HA   THR  22           HA       THR  22  13.115   6.943   2.143
  145    HB   THR  22           HB       THR  22  14.230   6.490  -0.116
  146    HG1  THR  22           HG1      THR  22  16.468   6.040   0.037
  147   HG21  THR  22          HG21      THR  22  14.315   8.696   1.019
  148   HG22  THR  22          HG22      THR  22  15.814   8.352   0.140
  149   HG23  THR  22          HG23      THR  22  15.767   8.188   1.910
  150    H    SER  23           H        SER  23  14.783   3.907   1.300
  151    HA   SER  23           HA       SER  23  12.467   2.186   1.547
  152    HB2  SER  23           HB2      SER  23  12.114   1.775  -0.865
  153    HB3  SER  23           HB3      SER  23  11.665   3.404  -0.394
  154    HG   SER  23           HG       SER  23  12.931   3.293  -2.371
  155    H    ASN  24           H        ASN  24  12.810   0.089   0.395
  156    HA   ASN  24           HA       ASN  24  15.384  -0.687  -0.616
  157    HB2  ASN  24           HB2      ASN  24  15.908  -0.803   1.814
  158    HB3  ASN  24           HB3      ASN  24  14.526  -1.870   2.070
  159   HD21  ASN  24          HD21      ASN  24  17.564  -1.619   0.097
  160   HD22  ASN  24          HD22      ASN  24  17.889  -3.343   0.144
  161    H    TYR  25           H        TYR  25  12.404  -1.883   0.916
  162    HA   TYR  25           HA       TYR  25  11.362  -2.924  -1.629
  163    HB2  TYR  25           HB2      TYR  25  11.686  -4.582   0.903
  164    HB3  TYR  25           HB3      TYR  25  10.473  -4.944  -0.309
  165    HD1  TYR  25           HD2      TYR  25  11.243  -5.347  -2.737
  166    HD2  TYR  25           HD1      TYR  25  13.835  -5.544   0.696
  167    HE1  TYR  25           HE2      TYR  25  12.871  -6.717  -4.044
  168    HE2  TYR  25           HE1      TYR  25  15.452  -6.933  -0.592
  169    HH   TYR  25           HH       TYR  25  14.878  -7.840  -4.022
  170    H    ILE  26           H        ILE  26   9.082  -2.832  -1.661
  171    HA   ILE  26           HA       ILE  26   7.757  -1.374   0.588
  172    HB   ILE  26           HB       ILE  26   6.551  -2.372  -2.018
  173   HG12  ILE  26          HG12      ILE  26   7.847   0.255  -1.246
  174   HG13  ILE  26          HG13      ILE  26   8.185  -0.766  -2.637
  175   HG21  ILE  26          HG21      ILE  26   4.963  -2.082  -0.079
  176   HG22  ILE  26          HG22      ILE  26   5.518  -0.408   0.093
  177   HG23  ILE  26          HG23      ILE  26   4.648  -0.930  -1.369
  178   HD11  ILE  26          HD11      ILE  26   7.038   1.209  -3.382
  179   HD12  ILE  26          HD12      ILE  26   5.942  -0.179  -3.586
  180   HD13  ILE  26          HD13      ILE  26   5.720   0.966  -2.237
  181    H    HIS  27           H        HIS  27   7.239  -2.557   2.280
  182    HA   HIS  27           HA       HIS  27   6.704  -5.475   1.981
  183    HB2  HIS  27           HB2      HIS  27   7.267  -3.749   4.408
  184    HB3  HIS  27           HB3      HIS  27   6.975  -5.481   4.432
  185    HD2  HIS  27           HD2      HIS  27   9.725  -3.100   4.508
  186    HE1  HIS  27           HE1      HIS  27  11.490  -6.578   2.807
  187    HE2  HIS  27           HE2      HIS  27  11.970  -4.318   3.883
  188    H    ILE  28           H        ILE  28   4.642  -6.102   1.866
  189    HA   ILE  28           HA       ILE  28   2.505  -4.471   3.231
  190    HB   ILE  28           HB       ILE  28   2.124  -6.330   0.856
  191   HG12  ILE  28          HG12      ILE  28   2.094  -3.277   0.813
  192   HG13  ILE  28          HG13      ILE  28   3.478  -4.233   0.282
  193   HG21  ILE  28          HG21      ILE  28  -0.121  -5.046   0.845
  194   HG22  ILE  28          HG22      ILE  28   0.109  -6.151   2.203
  195   HG23  ILE  28          HG23      ILE  28   0.327  -4.398   2.412
  196   HD11  ILE  28          HD11      ILE  28   2.083  -5.362  -1.424
  197   HD12  ILE  28          HD12      ILE  28   0.735  -4.284  -1.006
  198   HD13  ILE  28          HD13      ILE  28   2.233  -3.608  -1.656
  199    H    ARG  29           H        ARG  29   2.198  -5.304   5.109
  200    HA   ARG  29           HA       ARG  29   2.240  -8.264   5.583
  201    HB2  ARG  29           HB2      ARG  29   2.680  -6.035   7.607
  202    HB3  ARG  29           HB3      ARG  29   2.950  -7.761   7.836
  203    HG2  ARG  29           HG2      ARG  29   4.842  -7.655   6.222
  204    HG3  ARG  29           HG3      ARG  29   4.556  -5.923   5.992
  205    HD2  ARG  29           HD2      ARG  29   4.942  -5.575   8.440
  206    HD3  ARG  29           HD3      ARG  29   5.389  -7.278   8.589
  207    HE   ARG  29           HE       ARG  29   6.955  -5.084   7.431
  208   HH11  ARG  29          HH11      ARG  29   6.737  -8.625   7.455
  209   HH12  ARG  29          HH12      ARG  29   8.359  -8.792   6.858
  210   HH21  ARG  29          HH21      ARG  29   8.935  -5.350   6.724
  211   HH22  ARG  29          HH22      ARG  29   9.629  -6.938   6.456
  212    H    ILE  30           H        ILE  30   0.703  -8.955   7.378
  213    HA   ILE  30           HA       ILE  30  -1.626  -7.091   7.741
  214    HB   ILE  30           HB       ILE  30  -1.725 -10.085   7.273
  215   HG12  ILE  30          HG12      ILE  30  -2.985  -7.716   5.812
  216   HG13  ILE  30          HG13      ILE  30  -1.581  -8.611   5.242
  217   HG21  ILE  30          HG21      ILE  30  -4.180  -9.882   7.642
  218   HG22  ILE  30          HG22      ILE  30  -3.255  -9.599   9.093
  219   HG23  ILE  30          HG23      ILE  30  -3.936  -8.219   8.197
  220   HD11  ILE  30          HD11      ILE  30  -2.952 -10.660   5.029
  221   HD12  ILE  30          HD12      ILE  30  -4.390  -9.721   5.502
  222   HD13  ILE  30          HD13      ILE  30  -3.528  -9.308   4.022
  223    H    GLN  31           H        GLN  31  -2.489  -6.944   9.711
  224    HA   GLN  31           HA       GLN  31  -0.851  -7.931  11.999
  225    HB2  GLN  31           HB2      GLN  31  -3.106  -5.882  11.886
  226    HB3  GLN  31           HB3      GLN  31  -2.129  -6.268  13.297
  227    HG2  GLN  31           HG2      GLN  31  -1.134  -4.994  10.709
  228    HG3  GLN  31           HG3      GLN  31  -1.394  -4.165  12.235
  229   HE21  GLN  31          HE21      GLN  31   1.121  -4.890  10.432
  230   HE22  GLN  31          HE22      GLN  31   2.262  -5.366  11.680
  231    H    GLN  32           H        GLN  32  -1.627  -9.411  13.409
  232    HA   GLN  32           HA       GLN  32  -3.892 -11.010  12.579
  233    HB2  GLN  32           HB2      GLN  32  -2.205 -11.237  15.114
  234    HB3  GLN  32           HB3      GLN  32  -3.271 -12.455  14.428
  235    HG2  GLN  32           HG2      GLN  32  -1.096 -13.150  13.818
  236    HG3  GLN  32           HG3      GLN  32  -1.799 -12.485  12.350
  237   HE21  GLN  32          HE21      GLN  32   0.466 -12.214  11.507
  238   HE22  GLN  32          HE22      GLN  32   1.400 -10.848  12.102
  239    H    ARG  33           H        ARG  33  -5.875 -11.344  13.654
  240    HA   ARG  33           HA       ARG  33  -6.966  -8.897  14.558
  241    HB2  ARG  33           HB2      ARG  33  -8.131 -11.694  14.399
  242    HB3  ARG  33           HB3      ARG  33  -9.045 -10.323  15.039
  243    HG2  ARG  33           HG2      ARG  33  -8.562  -9.063  12.897
  244    HG3  ARG  33           HG3      ARG  33  -7.912 -10.574  12.226
  245    HD2  ARG  33           HD2      ARG  33 -10.087 -11.685  12.617
  246    HD3  ARG  33           HD3      ARG  33 -10.706 -10.218  13.401
  247    HE   ARG  33           HE       ARG  33  -9.731  -9.893  10.636
  248   HH11  ARG  33          HH11      ARG  33 -12.631 -10.384  12.625
  249   HH12  ARG  33          HH12      ARG  33 -13.681  -9.798  11.370
  250   HH21  ARG  33          HH21      ARG  33 -11.109  -9.295   9.074
  251   HH22  ARG  33          HH22      ARG  33 -12.837  -9.235   9.343
  252    H    ASN  34           H        ASN  34  -7.850  -8.194  16.291
  253    HA   ASN  34           HA       ASN  34  -8.054  -9.630  18.828
  254    HB2  ASN  34           HB2      ASN  34  -5.767  -8.676  18.962
  255    HB3  ASN  34           HB3      ASN  34  -6.402  -7.067  18.605
  256   HD21  ASN  34          HD21      ASN  34  -6.424  -9.717  21.030
  257   HD22  ASN  34          HD22      ASN  34  -6.921  -8.691  22.363
  258    H    GLY  35           H        GLY  35  -8.390  -6.530  17.067
  259    HA2  GLY  35           HA2      GLY  35 -10.999  -5.872  18.311
  260    HA3  GLY  35           HA3      GLY  35 -10.124  -4.944  17.074
  261    H    ARG  36           H        ARG  36 -12.472  -4.913  16.365
  262    HA   ARG  36           HA       ARG  36 -13.718  -7.278  15.368
  263    HB2  ARG  36           HB2      ARG  36 -15.480  -5.761  14.585
  264    HB3  ARG  36           HB3      ARG  36 -15.002  -5.460  16.253
  265    HG2  ARG  36           HG2      ARG  36 -13.687  -3.484  15.565
  266    HG3  ARG  36           HG3      ARG  36 -14.074  -3.797  13.865
  267    HD2  ARG  36           HD2      ARG  36 -16.476  -3.484  14.340
  268    HD3  ARG  36           HD3      ARG  36 -16.105  -3.203  16.055
  269    HE   ARG  36           HE       ARG  36 -14.555  -1.387  14.547
  270   HH11  ARG  36          HH12      ARG  36 -17.987  -1.887  15.250
  271   HH12  ARG  36          HH11      ARG  36 -18.367  -0.201  15.056
  272   HH21  ARG  36          HH21      ARG  36 -15.114   0.775  14.311
  273   HH22  ARG  36          HH22      ARG  36 -16.761   1.281  14.530
  274    H    LYS  37           H        LYS  37 -11.324  -5.435  13.760
  275    HA   LYS  37           HA       LYS  37 -12.036  -6.686  11.131
  276    HB2  LYS  37           HB2      LYS  37 -11.286  -3.781  11.678
  277    HB3  LYS  37           HB3      LYS  37 -11.152  -4.518  10.081
  278    HG2  LYS  37           HG2      LYS  37 -13.561  -5.037  10.069
  279    HG3  LYS  37           HG3      LYS  37 -13.742  -4.282  11.662
  280    HD2  LYS  37           HD2      LYS  37 -12.874  -2.139  10.731
  281    HD3  LYS  37           HD3      LYS  37 -12.789  -2.869   9.126
  282    HE2  LYS  37           HE2      LYS  37 -15.331  -2.560  10.796
  283    HE3  LYS  37           HE3      LYS  37 -14.816  -1.441   9.532
  284    HZ1  LYS  37           HZ1      LYS  37 -16.416  -3.017   8.672
  285    HZ2  LYS  37           HZ2      LYS  37 -15.494  -4.297   9.090
  286    HZ3  LYS  37           HZ3      LYS  37 -14.985  -3.260   7.928
  287    H    THR  38           H        THR  38 -10.343  -6.953   9.656
  288    HA   THR  38           HA       THR  38  -7.650  -7.545  10.685
  289    HB   THR  38           HB       THR  38  -8.689  -7.512   7.816
  290    HG1  THR  38           HG1      THR  38  -8.902  -9.796   8.230
  291   HG21  THR  38          HG21      THR  38  -6.255  -7.669   7.894
  292   HG22  THR  38          HG22      THR  38  -6.917  -9.247   7.481
  293   HG23  THR  38          HG23      THR  38  -6.342  -8.944   9.137
  294    H    LEU  39           H        LEU  39  -5.749  -6.382  10.060
  295    HA   LEU  39           HA       LEU  39  -6.149  -3.861   8.512
  296    HB2  LEU  39           HB2      LEU  39  -4.404  -4.189  10.982
  297    HB3  LEU  39           HB3      LEU  39  -4.363  -2.800   9.901
  298    HG   LEU  39           HG       LEU  39  -6.789  -3.643  11.553
  299   HD11  LEU  39          HD11      LEU  39  -6.241  -1.682  12.934
  300   HD12  LEU  39          HD12      LEU  39  -4.793  -1.379  11.951
  301   HD13  LEU  39          HD13      LEU  39  -4.907  -2.851  12.945
  302   HD21  LEU  39          HD21      LEU  39  -7.480  -2.398   9.558
  303   HD22  LEU  39          HD22      LEU  39  -6.259  -1.148   9.861
  304   HD23  LEU  39          HD23      LEU  39  -7.630  -1.359  10.972
  305    H    THR  40           H        THR  40  -4.978  -3.747   6.807
  306    HA   THR  40           HA       THR  40  -2.547  -5.406   6.345
  307    HB   THR  40           HB       THR  40  -4.265  -3.635   4.549
  308    HG1  THR  40           HG1      THR  40  -4.986  -5.709   5.212
  309   HG21  THR  40          HG21      THR  40  -1.914  -3.505   3.745
  310   HG22  THR  40          HG22      THR  40  -2.866  -4.564   2.696
  311   HG23  THR  40          HG23      THR  40  -1.758  -5.273   3.894
  312    H    THR  41           H        THR  41  -0.616  -4.564   6.817
  313    HA   THR  41           HA       THR  41  -0.320  -1.625   7.265
  314    HB   THR  41           HB       THR  41   1.789  -2.405   8.533
  315    HG1  THR  41           HG1      THR  41   1.507  -4.588   7.851
  316   HG21  THR  41          HG21      THR  41  -1.038  -2.851   9.583
  317   HG22  THR  41          HG22      THR  41  -0.123  -1.324   9.563
  318   HG23  THR  41          HG23      THR  41   0.424  -2.658  10.587
  319    H    VAL  42           H        VAL  42   0.707  -0.542   5.855
  320    HA   VAL  42           HA       VAL  42   2.554  -1.894   3.923
  321    HB   VAL  42           HB       VAL  42   1.397   0.893   3.664
  322   HG11  VAL  42          HG11      VAL  42   3.413   0.494   2.304
  323   HG12  VAL  42          HG12      VAL  42   2.712  -1.002   1.660
  324   HG13  VAL  42          HG13      VAL  42   1.987   0.572   1.264
  325   HG21  VAL  42          HG21      VAL  42   0.324  -1.700   2.477
  326   HG22  VAL  42          HG22      VAL  42  -0.494  -0.692   3.693
  327   HG23  VAL  42          HG23      VAL  42  -0.231  -0.053   2.077
  328    H    GLN  43           H        GLN  43   4.637  -1.525   3.980
  329    HA   GLN  43           HA       GLN  43   5.856   0.668   5.620
  330    HB2  GLN  43           HB2      GLN  43   5.624  -1.372   6.965
  331    HB3  GLN  43           HB3      GLN  43   6.252  -2.352   5.666
  332    HG2  GLN  43           HG2      GLN  43   8.497  -1.205   5.944
  333    HG3  GLN  43           HG3      GLN  43   7.818  -0.347   7.336
  334   HE21  GLN  43          HE21      GLN  43   8.237  -1.400   9.315
  335   HE22  GLN  43          HE22      GLN  43   8.573  -3.131   9.421
  336    H    GLY  44           H        GLY  44   8.033   1.227   4.966
  337    HA2  GLY  44           HA2      GLY  44   9.944   1.266   3.695
  338    HA3  GLY  44           HA3      GLY  44   9.446  -0.278   2.975
  339    H    VAL  45           H        VAL  45   7.007   1.837   2.347
  340    HA   VAL  45           HA       VAL  45   7.432   2.144  -0.411
  341    HB   VAL  45           HB       VAL  45   5.254   2.328   0.522
  342   HG11  VAL  45          HG11      VAL  45   5.977   5.052   1.668
  343   HG12  VAL  45          HG12      VAL  45   4.393   4.260   1.699
  344   HG13  VAL  45          HG13      VAL  45   5.733   3.572   2.625
  345   HG21  VAL  45          HG21      VAL  45   5.670   3.387  -1.675
  346   HG22  VAL  45          HG22      VAL  45   4.381   4.198  -0.781
  347   HG23  VAL  45          HG23      VAL  45   5.990   4.939  -0.860
  348    HA   PRO  46           HA       PRO  46  10.648   5.235  -0.777
  349    HB2  PRO  46           HB2      PRO  46   9.090   5.911  -3.270
  350    HB3  PRO  46           HB3      PRO  46  10.839   5.778  -3.077
  351    HG2  PRO  46           HG2      PRO  46   9.458   3.721  -4.150
  352    HG3  PRO  46           HG3      PRO  46  10.716   3.380  -2.920
  353    HD2  PRO  46           HD2      PRO  46   7.721   3.505  -2.563
  354    HD3  PRO  46           HD3      PRO  46   8.910   2.353  -1.880
  355    H    GLU  47           H        GLU  47  10.948   7.308  -0.194
  356    HA   GLU  47           HA       GLU  47   8.879   8.651   1.122
  357    HB2  GLU  47           HB2      GLU  47  11.325   8.703   1.635
  358    HB3  GLU  47           HB3      GLU  47  11.594   9.720   0.217
  359    HG2  GLU  47           HG2      GLU  47  10.226  11.516   1.243
  360    HG3  GLU  47           HG3      GLU  47   9.882  10.470   2.626
  361    H    GLU  48           H        GLU  48   9.822   8.990  -2.224
  362    HA   GLU  48           HA       GLU  48   8.728  11.607  -2.716
  363    HB2  GLU  48           HB2      GLU  48   8.936  11.080  -5.045
  364    HB3  GLU  48           HB3      GLU  48  10.370  10.523  -4.187
  365    HG2  GLU  48           HG2      GLU  48   9.422   8.186  -4.214
  366    HG3  GLU  48           HG3      GLU  48   8.066   8.780  -5.176
  367    H    TYR  49           H        TYR  49   7.161   8.557  -2.155
  368    HA   TYR  49           HA       TYR  49   4.584   9.481  -3.315
  369    HB2  TYR  49           HB2      TYR  49   5.351   6.813  -2.101
  370    HB3  TYR  49           HB3      TYR  49   3.843   7.210  -2.908
  371    HD1  TYR  49           HD1      TYR  49   4.188   8.248  -5.395
  372    HD2  TYR  49           HD2      TYR  49   6.970   5.663  -3.353
  373    HE1  TYR  49           HE1      TYR  49   5.175   7.586  -7.581
  374    HE2  TYR  49           HE2      TYR  49   7.945   4.987  -5.536
  375    HH   TYR  49           HH       TYR  49   7.901   5.264  -7.821
  376    H    ASP  50           H        ASP  50   3.691  10.925  -1.975
  377    HA   ASP  50           HA       ASP  50   3.967  11.068   0.850
  378    HB2  ASP  50           HB2      ASP  50   3.390  13.007  -0.451
  379    HB3  ASP  50           HB3      ASP  50   1.952  12.225  -1.101
  380    H    LEU  51           H        LEU  51   3.056  10.028   2.486
  381    HA   LEU  51           HA       LEU  51   1.436   7.737   2.081
  382    HB2  LEU  51           HB2      LEU  51   1.837   9.369   4.625
  383    HB3  LEU  51           HB3      LEU  51   1.281   7.696   4.550
  384    HG   LEU  51           HG       LEU  51   4.058   8.763   3.908
  385   HD11  LEU  51          HD11      LEU  51   3.021   6.866   6.061
  386   HD12  LEU  51          HD12      LEU  51   3.465   8.571   6.299
  387   HD13  LEU  51          HD13      LEU  51   4.707   7.387   5.848
  388   HD21  LEU  51          HD21      LEU  51   3.109   5.870   3.710
  389   HD22  LEU  51          HD22      LEU  51   4.779   6.444   3.560
  390   HD23  LEU  51          HD23      LEU  51   3.588   6.904   2.340
  391    H    LYS  52           H        LYS  52   0.473  11.021   3.099
  392    HA   LYS  52           HA       LYS  52  -2.309  10.430   3.518
  393    HB2  LYS  52           HB2      LYS  52  -0.920  13.032   2.795
  394    HB3  LYS  52           HB3      LYS  52  -2.602  12.890   3.306
  395    HG2  LYS  52           HG2      LYS  52  -1.918  11.963   5.474
  396    HG3  LYS  52           HG3      LYS  52  -0.214  12.025   5.011
  397    HD2  LYS  52           HD2      LYS  52  -2.035  14.458   5.239
  398    HD3  LYS  52           HD3      LYS  52  -0.911  13.898   6.487
  399    HE2  LYS  52           HE2      LYS  52   0.990  14.165   4.885
  400    HE3  LYS  52           HE3      LYS  52  -0.129  14.787   3.670
  401    HZ1  LYS  52           HZ1      LYS  52  -0.642  16.628   5.180
  402    HZ2  LYS  52           HZ2      LYS  52   0.960  16.586   4.864
  403    HZ3  LYS  52           HZ3      LYS  52   0.400  16.053   6.303
  404    H    ARG  53           H        ARG  53  -0.559  11.405   0.519
  405    HA   ARG  53           HA       ARG  53  -2.871  11.385  -1.164
  406    HB2  ARG  53           HB2      ARG  53  -0.742  12.373  -1.854
  407    HB3  ARG  53           HB3      ARG  53   0.041  10.801  -1.823
  408    HG2  ARG  53           HG2      ARG  53  -0.434  11.456  -4.098
  409    HG3  ARG  53           HG3      ARG  53  -1.337  10.003  -3.681
  410    HD2  ARG  53           HD2      ARG  53  -3.389  11.383  -3.356
  411    HD3  ARG  53           HD3      ARG  53  -2.455  12.839  -3.773
  412    HE   ARG  53           HE       ARG  53  -2.168  10.887  -5.839
  413   HH11  ARG  53          HH11      ARG  53  -4.626  13.127  -4.627
  414   HH12  ARG  53          HH12      ARG  53  -5.428  13.216  -6.167
  415   HH21  ARG  53          HH21      ARG  53  -3.251  11.051  -7.791
  416   HH22  ARG  53          HH22      ARG  53  -4.661  12.054  -7.928
  417    H    ILE  54           H        ILE  54  -0.733   8.704  -0.105
  418    HA   ILE  54           HA       ILE  54  -1.971   6.617  -1.692
  419    HB   ILE  54           HB       ILE  54  -0.475   6.405   0.934
  420   HG12  ILE  54          HG12      ILE  54   0.452   5.901  -1.921
  421   HG13  ILE  54          HG13      ILE  54   0.802   7.372  -1.051
  422   HG21  ILE  54          HG21      ILE  54  -0.231   3.993   0.273
  423   HG22  ILE  54          HG22      ILE  54  -1.899   4.436   0.579
  424   HG23  ILE  54          HG23      ILE  54  -1.325   4.285  -1.096
  425   HD11  ILE  54          HD11      ILE  54   2.008   6.023   0.699
  426   HD12  ILE  54          HD12      ILE  54   1.824   4.603  -0.355
  427   HD13  ILE  54          HD13      ILE  54   2.740   6.009  -0.914
  428    H    LEU  55           H        LEU  55  -2.734   7.858   1.639
  429    HA   LEU  55           HA       LEU  55  -5.012   6.202   2.037
  430    HB2  LEU  55           HB2      LEU  55  -4.794   9.113   2.927
  431    HB3  LEU  55           HB3      LEU  55  -5.826   7.859   3.554
  432    HG   LEU  55           HG       LEU  55  -2.891   8.297   4.026
  433   HD11  LEU  55          HD11      LEU  55  -3.615   8.157   6.370
  434   HD12  LEU  55          HD12      LEU  55  -5.264   7.746   5.853
  435   HD13  LEU  55          HD13      LEU  55  -4.581   9.348   5.487
  436   HD21  LEU  55          HD21      LEU  55  -4.346   5.672   4.522
  437   HD22  LEU  55          HD22      LEU  55  -2.782   6.143   5.236
  438   HD23  LEU  55          HD23      LEU  55  -2.910   5.949   3.487
  439    H    LYS  56           H        LYS  56  -4.902   9.503   0.589
  440    HA   LYS  56           HA       LYS  56  -7.632   9.737  -0.032
  441    HB2  LYS  56           HB2      LYS  56  -5.150  10.891  -1.323
  442    HB3  LYS  56           HB3      LYS  56  -6.781  11.313  -1.858
  443    HG2  LYS  56           HG2      LYS  56  -7.395  12.078   0.398
  444    HG3  LYS  56           HG3      LYS  56  -5.795  11.642   1.016
  445    HD2  LYS  56           HD2      LYS  56  -4.754  13.247  -0.570
  446    HD3  LYS  56           HD3      LYS  56  -6.378  13.687  -1.156
  447    HE2  LYS  56           HE2      LYS  56  -6.997  14.414   1.151
  448    HE3  LYS  56           HE3      LYS  56  -5.377  13.992   1.718
  449    HZ1  LYS  56           HZ1      LYS  56  -5.561  16.360   1.237
  450    HZ2  LYS  56           HZ2      LYS  56  -5.986  16.074  -0.312
  451    HZ3  LYS  56           HZ3      LYS  56  -4.485  15.689   0.210
  452    H    VAL  57           H        VAL  57  -5.087   8.472  -2.240
  453    HA   VAL  57           HA       VAL  57  -6.967   8.016  -4.359
  454    HB   VAL  57           HB       VAL  57  -4.557   8.313  -4.714
  455   HG11  VAL  57          HG11      VAL  57  -3.827   6.773  -2.885
  456   HG12  VAL  57          HG12      VAL  57  -4.169   5.412  -3.970
  457   HG13  VAL  57          HG13      VAL  57  -2.959   6.653  -4.410
  458   HG21  VAL  57          HG21      VAL  57  -5.624   5.743  -5.959
  459   HG22  VAL  57          HG22      VAL  57  -6.029   7.392  -6.490
  460   HG23  VAL  57          HG23      VAL  57  -4.363   6.810  -6.612
  461    H    LEU  58           H        LEU  58  -5.739   5.761  -1.822
  462    HA   LEU  58           HA       LEU  58  -7.199   3.480  -2.876
  463    HB2  LEU  58           HB2      LEU  58  -6.023   4.040  -0.128
  464    HB3  LEU  58           HB3      LEU  58  -6.640   2.481  -0.671
  465    HG   LEU  58           HG       LEU  58  -4.266   3.897  -1.954
  466   HD11  LEU  58          HD11      LEU  58  -4.320   1.477  -0.118
  467   HD12  LEU  58          HD12      LEU  58  -3.854   3.110   0.393
  468   HD13  LEU  58          HD13      LEU  58  -2.890   2.247  -0.822
  469   HD21  LEU  58          HD21      LEU  58  -3.893   1.611  -2.961
  470   HD22  LEU  58          HD22      LEU  58  -5.294   2.484  -3.585
  471   HD23  LEU  58          HD23      LEU  58  -5.524   1.162  -2.406
  472    H    LYS  59           H        LYS  59  -8.063   5.971  -0.416
  473    HA   LYS  59           HA       LYS  59 -10.591   4.734   0.252
  474    HB2  LYS  59           HB2      LYS  59  -9.545   7.579   0.477
  475    HB3  LYS  59           HB3      LYS  59 -11.140   7.081   1.059
  476    HG2  LYS  59           HG2      LYS  59 -10.155   5.425   2.566
  477    HG3  LYS  59           HG3      LYS  59  -8.531   5.794   1.990
  478    HD2  LYS  59           HD2      LYS  59  -8.857   8.190   2.750
  479    HD3  LYS  59           HD3      LYS  59 -10.408   7.692   3.464
  480    HE2  LYS  59           HE2      LYS  59  -9.130   5.954   4.798
  481    HE3  LYS  59           HE3      LYS  59  -7.629   6.621   4.163
  482    HZ1  LYS  59           HZ1      LYS  59  -8.205   8.740   5.239
  483    HZ2  LYS  59           HZ2      LYS  59  -8.176   7.522   6.344
  484    HZ3  LYS  59           HZ3      LYS  59  -9.605   8.112   5.810
  485    H    LYS  60           H        LYS  60  -9.668   6.864  -2.428
  486    HA   LYS  60           HA       LYS  60 -12.444   7.220  -3.332
  487    HB2  LYS  60           HB2      LYS  60  -9.723   7.979  -4.462
  488    HB3  LYS  60           HB3      LYS  60 -11.237   8.240  -5.341
  489    HG2  LYS  60           HG2      LYS  60 -12.126   9.618  -3.516
  490    HG3  LYS  60           HG3      LYS  60 -10.656   9.365  -2.564
  491    HD2  LYS  60           HD2      LYS  60  -9.311  10.483  -4.323
  492    HD3  LYS  60           HD3      LYS  60 -10.781  10.713  -5.299
  493    HE2  LYS  60           HE2      LYS  60 -11.787  12.029  -3.415
  494    HE3  LYS  60           HE3      LYS  60 -10.277  11.857  -2.510
  495    HZ1  LYS  60           HZ1      LYS  60  -9.154  13.072  -4.308
  496    HZ2  LYS  60           HZ2      LYS  60 -10.372  13.972  -3.692
  497    HZ3  LYS  60           HZ3      LYS  60 -10.560  13.227  -5.131
  498    H    ASP  61           H        ASP  61  -9.628   5.613  -4.933
  499    HA   ASP  61           HA       ASP  61 -11.408   4.475  -6.927
  500    HB2  ASP  61           HB2      ASP  61  -8.414   4.303  -6.444
  501    HB3  ASP  61           HB3      ASP  61  -9.224   3.467  -7.762
  502    H    PHE  62           H        PHE  62  -9.706   3.073  -4.109
  503    HA   PHE  62           HA       PHE  62 -10.726   0.362  -4.798
  504    HB2  PHE  62           HB2      PHE  62  -8.761   1.360  -2.700
  505    HB3  PHE  62           HB3      PHE  62  -9.358  -0.270  -2.772
  506    HD1  PHE  62           HD1      PHE  62  -7.504   2.289  -4.841
  507    HD2  PHE  62           HD2      PHE  62  -8.311  -1.884  -4.086
  508    HE1  PHE  62           HE1      PHE  62  -5.599   1.653  -6.277
  509    HE2  PHE  62           HE2      PHE  62  -6.390  -2.507  -5.526
  510    HZ   PHE  62           HZ       PHE  62  -5.005  -0.750  -6.583
  511    H    ALA  63           H        ALA  63 -11.798   3.058  -3.092
  512    HA   ALA  63           HA       ALA  63 -13.447   3.491  -1.602
  513    HB1  ALA  63           HB1      ALA  63 -14.727   2.229  -3.315
  514    HB2  ALA  63           HB2      ALA  63 -14.506   0.741  -2.364
  515    HB3  ALA  63           HB3      ALA  63 -15.428   2.098  -1.694
  516    H    CYS  64           H        CYS  64 -11.002   2.289  -0.524
  517    HA   CYS  64           HA       CYS  64 -11.804   0.459   1.622
  518    HB2  CYS  64           HB2      CYS  64  -9.471   0.148   1.939
  519    HB3  CYS  64           HB3      CYS  64  -9.636   0.378   0.194
  520    HG   CYS  64           HG       CYS  64  -9.067   2.908   0.156
  521    H    ASN  65           H        ASN  65 -10.262   1.102   3.736
  522    HA   ASN  65           HA       ASN  65 -10.658   3.906   4.524
  523    HB2  ASN  65           HB2      ASN  65 -12.677   2.682   5.372
  524    HB3  ASN  65           HB3      ASN  65 -11.611   1.587   6.249
  525   HD21  ASN  65          HD21      ASN  65 -12.555   2.214   8.274
  526   HD22  ASN  65          HD22      ASN  65 -12.229   3.797   8.978
  527    H    GLY  66           H        GLY  66  -9.112   4.542   6.211
  528    HA2  GLY  66           HA2      GLY  66  -7.046   2.827   7.182
  529    HA3  GLY  66           HA3      GLY  66  -6.542   3.455   5.637
  530    H    ASN  67           H        ASN  67  -4.951   3.938   7.548
  531    HA   ASN  67           HA       ASN  67  -4.906   6.798   8.102
  532    HB2  ASN  67           HB2      ASN  67  -4.932   6.551  10.575
  533    HB3  ASN  67           HB3      ASN  67  -6.470   6.147   9.833
  534   HD21  ASN  67          HD21      ASN  67  -3.701   4.849  11.622
  535   HD22  ASN  67          HD22      ASN  67  -4.369   3.237  11.829
  536    H    ILE  68           H        ILE  68  -2.909   7.404   9.387
  537    HA   ILE  68           HA       ILE  68  -0.614   5.568   8.765
  538    HB   ILE  68           HB       ILE  68  -0.707   8.560   9.292
  539   HG12  ILE  68          HG12      ILE  68   0.176   7.160   6.733
  540   HG13  ILE  68          HG13      ILE  68  -1.504   7.590   6.990
  541   HG21  ILE  68          HG21      ILE  68   1.729   8.532   8.684
  542   HG22  ILE  68          HG22      ILE  68   1.407   7.657  10.171
  543   HG23  ILE  68          HG23      ILE  68   1.685   6.759   8.661
  544   HD11  ILE  68          HD11      ILE  68  -0.875   9.975   7.301
  545   HD12  ILE  68          HD12      ILE  68   0.804   9.557   6.889
  546   HD13  ILE  68          HD13      ILE  68  -0.490   9.330   5.698
  547    H    VAL  69           H        VAL  69   0.717   4.833  10.378
  548    HA   VAL  69           HA       VAL  69   0.396   5.840  13.177
  549    HB   VAL  69           HB       VAL  69   0.289   2.896  12.363
  550   HG11  VAL  69          HG11      VAL  69   1.630   3.023  14.393
  551   HG12  VAL  69          HG12      VAL  69   0.450   4.119  15.155
  552   HG13  VAL  69          HG13      VAL  69   0.031   2.425  14.811
  553   HG21  VAL  69          HG21      VAL  69  -1.747   4.709  13.731
  554   HG22  VAL  69          HG22      VAL  69  -1.884   3.916  12.140
  555   HG23  VAL  69          HG23      VAL  69  -1.897   2.947  13.616
  556    H    LYS  70           H        LYS  70   2.305   5.795  14.357
  557    HA   LYS  70           HA       LYS  70   4.759   4.753  12.991
  558    HB2  LYS  70           HB2      LYS  70   4.733   7.165  13.469
  559    HB3  LYS  70           HB3      LYS  70   4.501   6.822  15.192
  560    HG2  LYS  70           HG2      LYS  70   6.688   5.739  15.324
  561    HG3  LYS  70           HG3      LYS  70   6.871   5.781  13.564
  562    HD2  LYS  70           HD2      LYS  70   8.236   7.514  14.664
  563    HD3  LYS  70           HD3      LYS  70   7.029   8.211  13.571
  564    HE2  LYS  70           HE2      LYS  70   5.547   8.692  15.503
  565    HE3  LYS  70           HE3      LYS  70   6.738   7.981  16.603
  566    HZ1  LYS  70           HZ1      LYS  70   6.905  10.397  16.516
  567    HZ2  LYS  70           HZ2      LYS  70   7.200  10.376  14.908
  568    HZ3  LYS  70           HZ3      LYS  70   8.289   9.735  15.955
  569    H    ASP  71           H        ASP  71   4.991   2.697  13.536
  570    HA   ASP  71           HA       ASP  71   4.086   1.617  16.086
  571    HB2  ASP  71           HB2      ASP  71   3.815   0.522  13.812
  572    HB3  ASP  71           HB3      ASP  71   5.547   0.286  13.791
  573    HA   PRO  72           HA       PRO  72   8.067   1.824  18.195
  574    HB2  PRO  72           HB2      PRO  72   7.256  -0.854  19.336
  575    HB3  PRO  72           HB3      PRO  72   7.909   0.582  20.184
  576    HG2  PRO  72           HG2      PRO  72   5.262   0.022  20.261
  577    HG3  PRO  72           HG3      PRO  72   5.816   1.716  20.021
  578    HD2  PRO  72           HD2      PRO  72   4.831  -0.258  17.960
  579    HD3  PRO  72           HD3      PRO  72   4.453   1.482  18.144
  580    H    GLU  73           H        GLU  73   7.157  -1.177  16.480
  581    HA   GLU  73           HA       GLU  73  10.045  -1.937  16.170
  582    HB2  GLU  73           HB2      GLU  73   7.516  -3.613  15.840
  583    HB3  GLU  73           HB3      GLU  73   9.182  -4.163  15.618
  584    HG2  GLU  73           HG2      GLU  73   9.627  -3.458  18.014
  585    HG3  GLU  73           HG3      GLU  73   7.889  -3.221  18.210
  586    H    MET  74           H        MET  74   6.966  -1.736  14.355
  587    HA   MET  74           HA       MET  74   8.298  -2.194  11.789
  588    HB2  MET  74           HB2      MET  74   5.410  -1.590  12.535
  589    HB3  MET  74           HB3      MET  74   5.950  -1.773  10.877
  590    HG2  MET  74           HG2      MET  74   6.902  -4.037  11.518
  591    HG3  MET  74           HG3      MET  74   6.112  -3.854  13.086
  592    HE1  MET  74           HE1      MET  74   5.766  -6.335  11.209
  593    HE2  MET  74           HE2      MET  74   4.887  -6.182  12.744
  594    HE3  MET  74           HE3      MET  74   4.016  -6.625  11.262
  595    H    GLY  75           H        GLY  75   7.740   0.711  13.567
  596    HA2  GLY  75           HA2      GLY  75   8.454   2.867  13.045
  597    HA3  GLY  75           HA3      GLY  75   8.917   2.315  11.422
  598    H    GLU  76           H        GLU  76   8.005   4.346  10.646
  599    HA   GLU  76           HA       GLU  76   5.223   4.917  10.957
  600    HB2  GLU  76           HB2      GLU  76   7.238   6.491  10.497
  601    HB3  GLU  76           HB3      GLU  76   6.988   6.071   8.791
  602    HG2  GLU  76           HG2      GLU  76   4.622   6.793   9.012
  603    HG3  GLU  76           HG3      GLU  76   4.896   7.147  10.726
  604    H    ILE  77           H        ILE  77   3.586   3.982  10.013
  605    HA   ILE  77           HA       ILE  77   3.780   2.629   7.368
  606    HB   ILE  77           HB       ILE  77   2.525   0.706   8.363
  607   HG12  ILE  77          HG12      ILE  77   3.290   1.908  11.058
  608   HG13  ILE  77          HG13      ILE  77   1.656   1.742  10.411
  609   HG21  ILE  77          HG21      ILE  77   4.438  -0.479   9.066
  610   HG22  ILE  77          HG22      ILE  77   4.996   0.720   7.896
  611   HG23  ILE  77          HG23      ILE  77   5.263   0.997   9.628
  612   HD11  ILE  77          HD11      ILE  77   1.970  -0.015  11.981
  613   HD12  ILE  77          HD12      ILE  77   2.049  -0.770  10.376
  614   HD13  ILE  77          HD13      ILE  77   3.539  -0.469  11.292
  615    H    ILE  78           H        ILE  78   1.877   2.290   6.280
  616    HA   ILE  78           HA       ILE  78  -0.539   3.823   7.172
  617    HB   ILE  78           HB       ILE  78   0.223   2.529   4.533
  618   HG12  ILE  78          HG12      ILE  78  -0.441   5.450   5.077
  619   HG13  ILE  78          HG13      ILE  78   1.204   4.823   5.216
  620   HG21  ILE  78          HG21      ILE  78  -2.425   3.785   5.362
  621   HG22  ILE  78          HG22      ILE  78  -1.977   3.472   3.674
  622   HG23  ILE  78          HG23      ILE  78  -2.150   2.131   4.784
  623   HD11  ILE  78          HD11      ILE  78   0.878   5.791   3.014
  624   HD12  ILE  78          HD12      ILE  78   1.148   4.043   2.882
  625   HD13  ILE  78          HD13      ILE  78  -0.487   4.726   2.695
  626    H    GLN  79           H        GLN  79  -2.266   2.797   7.917
  627    HA   GLN  79           HA       GLN  79  -2.472  -0.184   7.848
  628    HB2  GLN  79           HB2      GLN  79  -3.773   1.950   9.604
  629    HB3  GLN  79           HB3      GLN  79  -4.276   0.255   9.578
  630    HG2  GLN  79           HG2      GLN  79  -2.079  -0.471  10.338
  631    HG3  GLN  79           HG3      GLN  79  -1.467   1.189  10.325
  632   HE21  GLN  79          HE21      GLN  79  -1.300  -0.379  12.659
  633   HE22  GLN  79          HE22      GLN  79  -2.418   0.288  13.832
  634    H    LEU  80           H        LEU  80  -4.003  -0.998   6.526
  635    HA   LEU  80           HA       LEU  80  -6.250   0.711   5.555
  636    HB2  LEU  80           HB2      LEU  80  -4.185  -0.450   4.007
  637    HB3  LEU  80           HB3      LEU  80  -5.468  -1.647   3.928
  638    HG   LEU  80           HG       LEU  80  -7.033   0.100   3.081
  639   HD11  LEU  80          HD11      LEU  80  -4.484   1.812   3.104
  640   HD12  LEU  80          HD12      LEU  80  -6.009   2.165   3.941
  641   HD13  LEU  80          HD13      LEU  80  -5.934   2.232   2.182
  642   HD21  LEU  80          HD21      LEU  80  -4.456  -0.194   1.490
  643   HD22  LEU  80          HD22      LEU  80  -6.060   0.195   0.823
  644   HD23  LEU  80          HD23      LEU  80  -5.759  -1.386   1.544
  645    H    GLN  81           H        GLN  81  -8.289  -0.190   5.879
  646    HA   GLN  81           HA       GLN  81  -8.445  -2.494   7.671
  647    HB2  GLN  81           HB2      GLN  81 -10.552  -0.726   6.365
  648    HB3  GLN  81           HB3      GLN  81 -10.946  -2.111   7.387
  649    HG2  GLN  81           HG2      GLN  81  -9.538  -1.118   9.220
  650    HG3  GLN  81           HG3      GLN  81  -9.325   0.333   8.240
  651   HE21  GLN  81          HE21      GLN  81 -10.464   0.379  10.861
  652   HE22  GLN  81          HE22      GLN  81 -12.153   0.823  10.687
  653    H    GLY  82           H        GLY  82  -8.894  -4.540   7.274
  654    HA2  GLY  82           HA2      GLY  82  -9.739  -6.419   6.071
  655    HA3  GLY  82           HA3      GLY  82  -9.693  -5.505   4.563
  656    H    ASP  83           H        ASP  83  -8.681  -7.573   3.916
  657    HA   ASP  83           HA       ASP  83  -5.808  -7.894   4.584
  658    HB2  ASP  83           HB2      ASP  83  -6.063 -10.161   3.953
  659    HB3  ASP  83           HB3      ASP  83  -7.370  -9.758   5.043
  660    H    GLN  84           H        GLN  84  -5.873  -5.822   3.134
  661    HA   GLN  84           HA       GLN  84  -6.354  -6.113   0.293
  662    HB2  GLN  84           HB2      GLN  84  -5.201  -3.694   1.720
  663    HB3  GLN  84           HB3      GLN  84  -6.118  -3.732   0.217
  664    HG2  GLN  84           HG2      GLN  84  -7.159  -4.172   3.043
  665    HG3  GLN  84           HG3      GLN  84  -7.482  -2.816   1.989
  666   HE21  GLN  84          HE21      GLN  84  -9.616  -3.815   3.045
  667   HE22  GLN  84          HE22      GLN  84 -10.544  -4.785   1.883
  668    H    ARG  85           H        ARG  85  -4.013  -7.621   1.358
  669    HA   ARG  85           HA       ARG  85  -1.645  -6.357   0.680
  670    HB2  ARG  85           HB2      ARG  85  -0.606  -8.563   0.787
  671    HB3  ARG  85           HB3      ARG  85  -1.745  -8.285   2.103
  672    HG2  ARG  85           HG2      ARG  85  -3.479  -9.575   0.703
  673    HG3  ARG  85           HG3      ARG  85  -2.144 -10.049  -0.348
  674    HD2  ARG  85           HD2      ARG  85  -0.990 -11.087   1.575
  675    HD3  ARG  85           HD3      ARG  85  -2.286 -10.587   2.649
  676    HE   ARG  85           HE       ARG  85  -2.236 -12.906   0.971
  677   HH11  ARG  85          HH11      ARG  85  -4.625 -10.504   2.013
  678   HH12  ARG  85          HH12      ARG  85  -5.933 -11.634   1.970
  679   HH21  ARG  85          HH21      ARG  85  -3.981 -14.316   0.907
  680   HH22  ARG  85          HH22      ARG  85  -5.568 -13.749   1.337
  681    H    ALA  86           H        ALA  86  -3.554  -8.490  -1.450
  682    HA   ALA  86           HA       ALA  86  -1.814  -8.183  -3.752
  683    HB1  ALA  86           HB1      ALA  86  -4.734  -9.063  -3.515
  684    HB2  ALA  86           HB2      ALA  86  -3.685  -9.285  -4.930
  685    HB3  ALA  86           HB3      ALA  86  -3.308 -10.124  -3.415
  686    H    LYS  87           H        LYS  87  -4.752  -6.489  -2.617
  687    HA   LYS  87           HA       LYS  87  -5.154  -4.886  -4.958
  688    HB2  LYS  87           HB2      LYS  87  -5.945  -4.370  -2.053
  689    HB3  LYS  87           HB3      LYS  87  -6.532  -3.480  -3.447
  690    HG2  LYS  87           HG2      LYS  87  -7.353  -5.767  -4.368
  691    HG3  LYS  87           HG3      LYS  87  -7.052  -6.376  -2.729
  692    HD2  LYS  87           HD2      LYS  87  -8.537  -4.405  -1.914
  693    HD3  LYS  87           HD3      LYS  87  -8.943  -4.154  -3.606
  694    HE2  LYS  87           HE2      LYS  87 -10.707  -5.431  -2.658
  695    HE3  LYS  87           HE3      LYS  87  -9.811  -6.511  -3.731
  696    HZ1  LYS  87           HZ1      LYS  87 -10.377  -7.476  -1.514
  697    HZ2  LYS  87           HZ2      LYS  87  -9.399  -6.372  -0.790
  698    HZ3  LYS  87           HZ3      LYS  87  -8.769  -7.496  -1.800
  699    H    VAL  88           H        VAL  88  -3.376  -4.132  -1.922
  700    HA   VAL  88           HA       VAL  88  -2.496  -1.552  -2.905
  701    HB   VAL  88           HB       VAL  88  -1.408  -3.276  -0.652
  702   HG11  VAL  88          HG11      VAL  88  -0.720  -0.377  -1.357
  703   HG12  VAL  88          HG12      VAL  88  -0.262  -1.215   0.140
  704   HG13  VAL  88          HG13      VAL  88   0.407  -1.753  -1.390
  705   HG21  VAL  88          HG21      VAL  88  -3.161  -0.772  -0.706
  706   HG22  VAL  88          HG22      VAL  88  -3.721  -2.409  -0.331
  707   HG23  VAL  88          HG23      VAL  88  -2.586  -1.604   0.762
  708    H    CYS  89           H        CYS  89  -0.961  -4.830  -3.057
  709    HA   CYS  89           HA       CYS  89   1.464  -4.015  -4.300
  710    HB2  CYS  89           HB2      CYS  89   0.892  -6.285  -3.417
  711    HB3  CYS  89           HB3      CYS  89  -0.193  -6.541  -4.792
  712    HG   CYS  89           HG       CYS  89   1.651  -6.206  -6.659
  713    H    GLU  90           H        GLU  90  -1.679  -4.863  -5.840
  714    HA   GLU  90           HA       GLU  90  -0.963  -4.230  -8.487
  715    HB2  GLU  90           HB2      GLU  90  -2.956  -5.514  -7.732
  716    HB3  GLU  90           HB3      GLU  90  -3.709  -4.008  -7.188
  717    HG2  GLU  90           HG2      GLU  90  -3.685  -3.138  -9.481
  718    HG3  GLU  90           HG3      GLU  90  -2.782  -4.554 -10.033
  719    H    PHE  91           H        PHE  91  -2.225  -1.990  -5.913
  720    HA   PHE  91           HA       PHE  91  -2.510   0.309  -7.573
  721    HB2  PHE  91           HB2      PHE  91  -3.409   0.353  -5.340
  722    HB3  PHE  91           HB3      PHE  91  -1.874  -0.065  -4.625
  723    HD1  PHE  91           HD2      PHE  91  -3.479   2.639  -6.686
  724    HD2  PHE  91           HD1      PHE  91  -0.429   1.598  -3.834
  725    HE1  PHE  91           HE2      PHE  91  -2.819   5.023  -6.517
  726    HE2  PHE  91           HE1      PHE  91   0.204   3.991  -3.628
  727    HZ   PHE  91           HZ       PHE  91  -0.992   5.710  -4.985
  728    H    MET  92           H        MET  92   0.314  -0.830  -5.690
  729    HA   MET  92           HA       MET  92   2.061   1.334  -6.360
  730    HB2  MET  92           HB2      MET  92   2.663  -1.527  -5.550
  731    HB3  MET  92           HB3      MET  92   3.841  -0.226  -5.527
  732    HG2  MET  92           HG2      MET  92   1.261  -0.088  -3.935
  733    HG3  MET  92           HG3      MET  92   2.682  -0.898  -3.313
  734    HE1  MET  92           HE1      MET  92   2.074   2.459  -1.275
  735    HE2  MET  92           HE2      MET  92   0.824   1.514  -2.095
  736    HE3  MET  92           HE3      MET  92   2.094   0.682  -1.177
  737    H    ILE  93           H        ILE  93   1.555  -1.852  -7.914
  738    HA   ILE  93           HA       ILE  93   3.521  -1.452 -10.017
  739    HB   ILE  93           HB       ILE  93   1.107  -3.301  -9.833
  740   HG12  ILE  93          HG12      ILE  93   4.054  -4.031  -9.538
  741   HG13  ILE  93          HG13      ILE  93   3.081  -3.554  -8.161
  742   HG21  ILE  93          HG21      ILE  93   2.204  -4.604 -11.668
  743   HG22  ILE  93          HG22      ILE  93   1.741  -3.001 -12.211
  744   HG23  ILE  93          HG23      ILE  93   3.441  -3.343 -11.810
  745   HD11  ILE  93          HD11      ILE  93   1.533  -5.407  -8.486
  746   HD12  ILE  93          HD12      ILE  93   2.411  -5.938  -9.927
  747   HD13  ILE  93          HD13      ILE  93   3.207  -5.996  -8.350
  748    H    SER  94           H        SER  94  -0.044  -1.006  -9.992
  749    HA   SER  94           HA       SER  94  -0.116  -0.286 -12.792
  750    HB2  SER  94           HB2      SER  94  -1.926  -1.480 -11.685
  751    HB3  SER  94           HB3      SER  94  -2.188  -0.127 -10.571
  752    HG   SER  94           HG       SER  94  -3.606  -0.318 -12.524
  753    H    GLN  95           H        GLN  95  -0.536   1.702  -9.803
  754    HA   GLN  95           HA       GLN  95  -1.072   4.073 -11.516
  755    HB2  GLN  95           HB2      GLN  95  -1.351   3.646  -8.518
  756    HB3  GLN  95           HB3      GLN  95  -1.862   5.078  -9.405
  757    HG2  GLN  95           HG2      GLN  95  -3.018   2.268  -9.739
  758    HG3  GLN  95           HG3      GLN  95  -3.775   3.619  -8.912
  759   HE21  GLN  95          HE21      GLN  95  -3.263   2.138 -12.082
  760   HE22  GLN  95          HE22      GLN  95  -4.130   3.386 -12.958
  761    H    LEU  96           H        LEU  96   1.371   2.984  -9.130
  762    HA   LEU  96           HA       LEU  96   2.807   5.567  -9.415
  763    HB2  LEU  96           HB2      LEU  96   3.765   3.099  -7.945
  764    HB3  LEU  96           HB3      LEU  96   4.325   4.746  -7.785
  765    HG   LEU  96           HG       LEU  96   1.625   3.676  -6.859
  766   HD11  LEU  96          HD11      LEU  96   4.022   4.757  -5.323
  767   HD12  LEU  96          HD12      LEU  96   3.591   3.048  -5.506
  768   HD13  LEU  96          HD13      LEU  96   2.507   4.142  -4.628
  769   HD21  LEU  96          HD21      LEU  96   1.329   5.948  -5.821
  770   HD22  LEU  96          HD22      LEU  96   1.248   5.973  -7.586
  771   HD23  LEU  96          HD23      LEU  96   2.720   6.523  -6.761
  772    H    GLY  97           H        GLY  97   2.743   2.489 -10.970
  773    HA2  GLY  97           HA2      GLY  97   3.855   1.791 -12.878
  774    HA3  GLY  97           HA3      GLY  97   4.849   3.270 -12.837
  775    H    LEU  98           H        LEU  98   4.787   1.321  -9.927
  776    HA   LEU  98           HA       LEU  98   7.645   0.862 -10.114
  777    HB2  LEU  98           HB2      LEU  98   5.543  -0.025  -8.106
  778    HB3  LEU  98           HB3      LEU  98   7.244  -0.376  -7.920
  779    HG   LEU  98           HG       LEU  98   6.140   2.467  -8.150
  780   HD11  LEU  98          HD11      LEU  98   5.287   1.397  -6.130
  781   HD12  LEU  98          HD12      LEU  98   6.528   2.581  -5.700
  782   HD13  LEU  98          HD13      LEU  98   6.923   0.845  -5.701
  783   HD21  LEU  98          HD21      LEU  98   8.883   1.394  -7.328
  784   HD22  LEU  98          HD22      LEU  98   8.368   3.086  -7.184
  785   HD23  LEU  98          HD23      LEU  98   8.517   2.352  -8.781
  786    H    GLN  99           H        GLN  99   8.686  -1.253  -9.896
  787    HA   GLN  99           HA       GLN  99   7.502  -3.197 -11.800
  788    HB2  GLN  99           HB2      GLN  99  10.209  -3.169 -10.394
  789    HB3  GLN  99           HB3      GLN  99   9.672  -4.348 -11.594
  790    HG2  GLN  99           HG2      GLN  99   9.470  -2.561 -13.298
  791    HG3  GLN  99           HG3      GLN  99  10.024  -1.365 -12.120
  792   HE21  GLN  99          HE21      GLN  99  12.289  -1.582 -11.272
  793   HE22  GLN  99          HE22      GLN  99  13.466  -2.404 -12.283
  794    H    LYS 100           H        LYS 100   7.028  -5.368 -11.234
  795    HA   LYS 100           HA       LYS 100   5.693  -5.715  -8.792
  796    HB2  LYS 100           HB2      LYS 100   6.755  -7.979 -10.473
  797    HB3  LYS 100           HB3      LYS 100   5.372  -7.947  -9.363
  798    HG2  LYS 100           HG2      LYS 100   4.463  -6.040 -10.961
  799    HG3  LYS 100           HG3      LYS 100   5.645  -6.692 -12.106
  800    HD2  LYS 100           HD2      LYS 100   4.660  -8.973 -11.631
  801    HD3  LYS 100           HD3      LYS 100   3.345  -8.173 -10.759
  802    HE2  LYS 100           HE2      LYS 100   2.777  -6.859 -12.797
  803    HE3  LYS 100           HE3      LYS 100   4.085  -7.656 -13.682
  804    HZ1  LYS 100           HZ1      LYS 100   2.928  -9.772 -13.358
  805    HZ2  LYS 100           HZ2      LYS 100   1.951  -8.711 -14.124
  806    HZ3  LYS 100           HZ3      LYS 100   1.715  -9.038 -12.542
  807    H    LYS 101           H        LYS 101   9.007  -6.562  -9.636
  808    HA   LYS 101           HA       LYS 101   9.753  -8.031  -7.310
  809    HB2  LYS 101           HB2      LYS 101  12.002  -7.773  -8.108
  810    HB3  LYS 101           HB3      LYS 101  10.926  -8.101  -9.465
  811    HG2  LYS 101           HG2      LYS 101  10.905  -5.618  -9.971
  812    HG3  LYS 101           HG3      LYS 101  12.114  -5.382  -8.705
  813    HD2  LYS 101           HD2      LYS 101  12.446  -7.148 -11.169
  814    HD3  LYS 101           HD3      LYS 101  13.068  -5.498 -11.001
  815    HE2  LYS 101           HE2      LYS 101  14.453  -6.222  -9.055
  816    HE3  LYS 101           HE3      LYS 101  13.862  -7.877  -9.256
  817    HZ1  LYS 101           HZ1      LYS 101  14.877  -7.906 -11.465
  818    HZ2  LYS 101           HZ2      LYS 101  16.006  -7.575 -10.332
  819    HZ3  LYS 101           HZ3      LYS 101  15.430  -6.377 -11.280
  820    H    ASN 102           H        ASN 102   9.235  -4.586  -7.550
  821    HA   ASN 102           HA       ASN 102  11.037  -3.858  -5.367
  822    HB2  ASN 102           HB2      ASN 102   8.630  -2.382  -6.529
  823    HB3  ASN 102           HB3      ASN 102   9.818  -1.708  -5.417
  824   HD21  ASN 102          HD21      ASN 102  12.281  -2.515  -6.483
  825   HD22  ASN 102          HD22      ASN 102  12.437  -1.786  -8.068
  826    H    ILE 103           H        ILE 103   8.087  -5.576  -5.378
  827    HA   ILE 103           HA       ILE 103   7.261  -4.576  -2.676
  828    HB   ILE 103           HB       ILE 103   5.584  -5.837  -4.874
  829   HG12  ILE 103          HG12      ILE 103   5.446  -2.900  -4.062
  830   HG13  ILE 103          HG13      ILE 103   6.516  -3.425  -5.355
  831   HG21  ILE 103          HG21      ILE 103   3.662  -4.996  -3.472
  832   HG22  ILE 103          HG22      ILE 103   4.617  -6.223  -2.656
  833   HG23  ILE 103          HG23      ILE 103   4.821  -4.509  -2.227
  834   HD11  ILE 103          HD11      ILE 103   3.515  -3.734  -5.347
  835   HD12  ILE 103          HD12      ILE 103   4.524  -2.698  -6.378
  836   HD13  ILE 103          HD13      ILE 103   4.610  -4.459  -6.549
  837    H    LYS 104           H        LYS 104   6.922  -5.943  -1.073
  838    HA   LYS 104           HA       LYS 104   7.215  -8.905  -1.458
  839    HB2  LYS 104           HB2      LYS 104   8.089  -7.105   0.843
  840    HB3  LYS 104           HB3      LYS 104   8.145  -8.864   0.873
  841    HG2  LYS 104           HG2      LYS 104   9.756  -7.109  -1.026
  842    HG3  LYS 104           HG3      LYS 104  10.333  -7.799   0.494
  843    HD2  LYS 104           HD2      LYS 104   9.778 -10.107  -0.452
  844    HD3  LYS 104           HD3      LYS 104   9.517  -9.305  -2.023
  845    HE2  LYS 104           HE2      LYS 104  11.825  -8.346  -1.868
  846    HE3  LYS 104           HE3      LYS 104  12.058  -9.190  -0.331
  847    HZ1  LYS 104           HZ1      LYS 104  13.013 -10.434  -2.180
  848    HZ2  LYS 104           HZ2      LYS 104  11.572 -10.516  -2.944
  849    HZ3  LYS 104           HZ3      LYS 104  11.793 -11.295  -1.522
  850    H    ILE 105           H        ILE 105   5.255  -9.831  -1.151
  851    HA   ILE 105           HA       ILE 105   3.330  -8.707   0.859
  852    HB   ILE 105           HB       ILE 105   3.014 -10.889  -1.239
  853   HG12  ILE 105          HG12      ILE 105   1.649  -8.171  -0.885
  854   HG13  ILE 105          HG13      ILE 105   2.925  -8.525  -2.051
  855   HG21  ILE 105          HG21      ILE 105   1.116  -9.992   0.975
  856   HG22  ILE 105          HG22      ILE 105   0.630 -11.017  -0.399
  857   HG23  ILE 105          HG23      ILE 105   1.804 -11.609   0.753
  858   HD11  ILE 105          HD11      ILE 105   0.098  -9.644  -2.058
  859   HD12  ILE 105          HD12      ILE 105   0.866  -8.591  -3.246
  860   HD13  ILE 105          HD13      ILE 105   1.411 -10.267  -3.092
  861    H    HIS 106           H        HIS 106   3.441  -9.388   2.849
  862    HA   HIS 106           HA       HIS 106   4.778 -11.994   3.504
  863    HB2  HIS 106           HB2      HIS 106   4.167  -9.563   5.214
  864    HB3  HIS 106           HB3      HIS 106   5.041 -11.004   5.734
  865    HD2  HIS 106           HD2      HIS 106   5.521  -7.738   3.847
  866    HE1  HIS 106           HE1      HIS 106   9.268  -9.745   3.624
  867    HE2  HIS 106           HE2      HIS 106   8.073  -7.542   3.222
  868    H    GLY 107           H        GLY 107   1.725 -10.241   3.829
  869    HA2  GLY 107           HA2      GLY 107  -0.418 -11.000   4.316
  870    HA3  GLY 107           HA3      GLY 107   0.216 -12.654   4.280
  871    H    PHE 108           H        PHE 108  -1.119 -13.217   5.969
  872    HA   PHE 108           HA       PHE 108  -1.191 -11.980   8.592
  873    HB2  PHE 108           HB2      PHE 108  -2.054 -14.719   7.586
  874    HB3  PHE 108           HB3      PHE 108  -2.357 -14.113   9.197
  875    HD1  PHE 108           HD2      PHE 108  -3.252 -13.674   5.607
  876    HD2  PHE 108           HD1      PHE 108  -4.147 -12.588   9.685
  877    HE1  PHE 108           HE2      PHE 108  -5.427 -12.726   4.881
  878    HE2  PHE 108           HE1      PHE 108  -6.335 -11.668   8.957
  879    HZ   PHE 108           HZ       PHE 108  -6.977 -11.735   6.554
  Start of MODEL   18
    1    H1   MET   1           H        MET   1   9.088 -23.281  16.898
    2    H2   MET   1           H2       MET   1   7.682 -22.499  16.589
    3    H3   MET   1           H3       MET   1   7.865 -23.327  17.964
    4    HA   MET   1           HA       MET   1   9.600 -21.794  18.748
    5    HB2  MET   1           HB2      MET   1   8.920 -20.225  16.229
    6    HB3  MET   1           HB3      MET   1   9.965 -19.679  17.536
    7    HG2  MET   1           HG2      MET   1  10.472 -21.972  15.612
    8    HG3  MET   1           HG3      MET   1  11.341 -20.464  15.731
    9    HE1  MET   1           HE1      MET   1  13.537 -20.828  18.895
   10    HE2  MET   1           HE2      MET   1  13.139 -19.861  17.461
   11    HE3  MET   1           HE3      MET   1  11.968 -20.010  18.791
   12    H    SER   2           H        SER   2   9.127 -19.871  20.000
   13    HA   SER   2           HA       SER   2   6.390 -19.635  20.843
   14    HB2  SER   2           HB2      SER   2   8.722 -17.763  21.388
   15    HB3  SER   2           HB3      SER   2   7.238 -17.904  22.338
   16    HG   SER   2           HG       SER   2   7.875 -19.985  22.981
   17    H    ILE   3           H        ILE   3   4.974 -17.820  20.770
   18    HA   ILE   3           HA       ILE   3   5.451 -15.751  18.666
   19    HB   ILE   3           HB       ILE   3   2.898 -17.386  19.034
   20   HG12  ILE   3          HG12      ILE   3   4.860 -17.295  16.692
   21   HG13  ILE   3          HG13      ILE   3   4.661 -18.636  17.820
   22   HG21  ILE   3          HG21      ILE   3   2.390 -15.023  18.482
   23   HG22  ILE   3          HG22      ILE   3   3.497 -15.101  17.092
   24   HG23  ILE   3          HG23      ILE   3   2.002 -16.062  17.135
   25   HD11  ILE   3          HD11      ILE   3   2.288 -18.901  17.049
   26   HD12  ILE   3          HD12      ILE   3   2.638 -17.718  15.762
   27   HD13  ILE   3          HD13      ILE   3   3.531 -19.239  15.829
   28    H    GLU   4           H        GLU   4   4.756 -13.731  19.233
   29    HA   GLU   4           HA       GLU   4   3.087 -13.345  21.667
   30    HB2  GLU   4           HB2      GLU   4   5.661 -11.847  21.014
   31    HB3  GLU   4           HB3      GLU   4   4.483 -11.364  22.240
   32    HG2  GLU   4           HG2      GLU   4   4.837 -13.536  23.421
   33    HG3  GLU   4           HG3      GLU   4   6.087 -13.956  22.242
   34    H    ASN   5           H        ASN   5   1.623 -11.689  21.499
   35    HA   ASN   5           HA       ASN   5   1.014 -10.753  18.810
   36    HB2  ASN   5           HB2      ASN   5  -0.688 -11.600  20.448
   37    HB3  ASN   5           HB3      ASN   5  -0.386 -10.179  21.459
   38   HD21  ASN   5          HD21      ASN   5  -1.368 -11.171  18.135
   39   HD22  ASN   5          HD22      ASN   5  -2.228  -9.682  17.771
   40    H    LEU   6           H        LEU   6   0.743  -8.566  18.139
   41    HA   LEU   6           HA       LEU   6   2.478  -6.532  19.381
   42    HB2  LEU   6           HB2      LEU   6   0.648  -6.407  16.948
   43    HB3  LEU   6           HB3      LEU   6   1.766  -5.148  17.465
   44    HG   LEU   6           HG       LEU   6   2.515  -7.916  16.437
   45   HD11  LEU   6          HD11      LEU   6   2.955  -5.125  15.282
   46   HD12  LEU   6          HD12      LEU   6   1.731  -6.286  14.730
   47   HD13  LEU   6          HD13      LEU   6   3.451  -6.664  14.541
   48   HD21  LEU   6          HD21      LEU   6   4.323  -5.652  17.406
   49   HD22  LEU   6          HD22      LEU   6   4.871  -7.082  16.504
   50   HD23  LEU   6          HD23      LEU   6   4.181  -7.278  18.117
   51    H    LYS   7           H        LYS   7   1.048  -6.999  21.370
   52    HA   LYS   7           HA       LYS   7  -1.550  -5.704  21.498
   53    HB2  LYS   7           HB2      LYS   7  -0.810  -7.749  22.746
   54    HB3  LYS   7           HB3      LYS   7   0.282  -6.740  23.706
   55    HG2  LYS   7           HG2      LYS   7  -1.637  -5.521  24.655
   56    HG3  LYS   7           HG3      LYS   7  -2.740  -6.340  23.546
   57    HD2  LYS   7           HD2      LYS   7  -2.921  -7.345  25.752
   58    HD3  LYS   7           HD3      LYS   7  -2.266  -8.501  24.601
   59    HE2  LYS   7           HE2      LYS   7  -1.056  -8.761  26.648
   60    HE3  LYS   7           HE3      LYS   7   0.043  -8.043  25.473
   61    HZ1  LYS   7           HZ1      LYS   7  -0.367  -5.878  26.533
   62    HZ2  LYS   7           HZ2      LYS   7   0.179  -6.948  27.638
   63    HZ3  LYS   7           HZ3      LYS   7  -1.404  -6.555  27.603
   64    H    SER   8           H        SER   8   1.696  -4.556  21.959
   65    HA   SER   8           HA       SER   8   1.067  -2.211  23.591
   66    HB2  SER   8           HB2      SER   8   3.443  -1.631  23.050
   67    HB3  SER   8           HB3      SER   8   3.230  -3.216  23.803
   68    HG   SER   8           HG       SER   8   4.669  -3.308  22.005
   69    H    PHE   9           H        PHE   9   1.851  -0.022  22.741
   70    HA   PHE   9           HA       PHE   9   1.319   0.545  19.918
   71    HB2  PHE   9           HB2      PHE   9  -0.484   2.070  20.297
   72    HB3  PHE   9           HB3      PHE   9  -0.943   0.537  21.006
   73    HD1  PHE   9           HD2      PHE   9  -0.979   0.267  23.515
   74    HD2  PHE   9           HD1      PHE   9  -0.185   4.070  21.642
   75    HE1  PHE   9           HE2      PHE   9  -1.409   1.423  25.671
   76    HE2  PHE   9           HE1      PHE   9  -0.614   5.221  23.796
   77    HZ   PHE   9           HZ       PHE   9  -1.222   3.900  25.816
   78    H    ASP  10           H        ASP  10   1.717   2.860  19.418
   79    HA   ASP  10           HA       ASP  10   3.997   3.907  21.007
   80    HB2  ASP  10           HB2      ASP  10   4.279   3.401  18.603
   81    HB3  ASP  10           HB3      ASP  10   3.056   4.615  18.218
   82    HA   PRO  11           HA       PRO  11   0.965   7.085  22.252
   83    HB2  PRO  11           HB2      PRO  11   2.245   8.134  24.392
   84    HB3  PRO  11           HB3      PRO  11   1.570   6.480  24.419
   85    HG2  PRO  11           HG2      PRO  11   4.448   7.298  23.892
   86    HG3  PRO  11           HG3      PRO  11   3.841   6.041  25.015
   87    HD2  PRO  11           HD2      PRO  11   4.715   5.476  22.467
   88    HD3  PRO  11           HD3      PRO  11   3.414   4.543  23.267
   89    H    PHE  12           H        PHE  12   4.377   7.695  21.545
   90    HA   PHE  12           HA       PHE  12   4.134   9.928  19.906
   91    HB2  PHE  12           HB2      PHE  12   5.173  11.674  21.329
   92    HB3  PHE  12           HB3      PHE  12   3.540  11.294  21.809
   93    HD1  PHE  12           HD1      PHE  12   7.133  10.881  22.726
   94    HD2  PHE  12           HD2      PHE  12   3.043  10.435  24.019
   95    HE1  PHE  12           HE1      PHE  12   7.907  10.493  25.051
   96    HE2  PHE  12           HE2      PHE  12   3.821  10.043  26.341
   97    HZ   PHE  12           HZ       PHE  12   6.256  10.067  26.863
   98    H    ALA  13           H        ALA  13   6.206  10.539  19.094
   99    HA   ALA  13           HA       ALA  13   8.632   9.126  19.949
  100    HB1  ALA  13           HB1      ALA  13   7.189   8.361  17.373
  101    HB2  ALA  13           HB2      ALA  13   8.771   7.738  17.906
  102    HB3  ALA  13           HB3      ALA  13   7.323   7.347  18.825
  103    H    ASP  14           H        ASP  14  10.310   9.221  18.165
  104    HA   ASP  14           HA       ASP  14  10.930  11.966  17.491
  105    HB2  ASP  14           HB2      ASP  14  13.055  11.009  16.831
  106    HB3  ASP  14           HB3      ASP  14  12.557  10.280  18.351
  107    H    THR  15           H        THR  15  11.941  12.427  15.336
  108    HA   THR  15           HA       THR  15  10.950  11.008  12.980
  109    HB   THR  15           HB       THR  15   9.167  12.671  13.502
  110    HG1  THR  15           HG1      THR  15   9.084  13.335  11.349
  111   HG21  THR  15          HG21      THR  15  11.257  14.761  12.723
  112   HG22  THR  15          HG22      THR  15  10.595  14.538  14.358
  113   HG23  THR  15          HG23      THR  15   9.531  15.037  13.036
  114    H    GLY  16           H        GLY  16  12.001  11.841  10.989
  115    HA2  GLY  16           HA2      GLY  16  14.879  11.950  11.500
  116    HA3  GLY  16           HA3      GLY  16  14.086  11.785   9.924
  117    H    ASP  17           H        ASP  17  16.256  13.575  11.239
  118    HA   ASP  17           HA       ASP  17  15.309  16.298  10.637
  119    HB2  ASP  17           HB2      ASP  17  16.801  15.760  12.554
  120    HB3  ASP  17           HB3      ASP  17  18.043  15.215  11.425
  121    H    ASP  18           H        ASP  18  16.993  13.747   8.951
  122    HA   ASP  18           HA       ASP  18  18.279  15.456   6.958
  123    HB2  ASP  18           HB2      ASP  18  19.134  13.406   6.048
  124    HB3  ASP  18           HB3      ASP  18  19.340  13.396   7.792
  125    H    GLU  19           H        GLU  19  17.983  15.214   4.678
  126    HA   GLU  19           HA       GLU  19  15.154  14.735   3.816
  127    HB2  GLU  19           HB2      GLU  19  17.211  16.718   2.758
  128    HB3  GLU  19           HB3      GLU  19  15.581  16.476   2.111
  129    HG2  GLU  19           HG2      GLU  19  14.617  17.128   4.317
  130    HG3  GLU  19           HG3      GLU  19  16.244  17.491   4.906
  131    H    THR  20           H        THR  20  17.745  12.952   3.800
  132    HA   THR  20           HA       THR  20  18.561  12.577   1.094
  133    HB   THR  20           HB       THR  20  18.743  10.647   3.443
  134    HG1  THR  20           HG1      THR  20  20.737  11.692   3.761
  135   HG21  THR  20          HG21      THR  20  20.817   9.877   2.276
  136   HG22  THR  20          HG22      THR  20  20.407  10.909   0.889
  137   HG23  THR  20          HG23      THR  20  19.364   9.539   1.336
  138    H    ALA  21           H        ALA  21  17.944  11.181  -0.487
  139    HA   ALA  21           HA       ALA  21  15.240  10.251  -0.541
  140    HB1  ALA  21           HB1      ALA  21  16.460  11.042  -2.532
  141    HB2  ALA  21           HB2      ALA  21  17.578   9.661  -2.412
  142    HB3  ALA  21           HB3      ALA  21  15.861   9.390  -2.771
  143    H    THR  22           H        THR  22  14.329   8.262  -0.448
  144    HA   THR  22           HA       THR  22  15.773   6.141   1.016
  145    HB   THR  22           HB       THR  22  13.430   5.218   1.273
  146    HG1  THR  22           HG1      THR  22  12.714   6.430  -0.642
  147   HG21  THR  22          HG21      THR  22  13.764   8.107   2.198
  148   HG22  THR  22          HG22      THR  22  14.463   6.684   3.005
  149   HG23  THR  22          HG23      THR  22  12.705   6.864   2.898
  150    H    SER  23           H        SER  23  15.735   3.965   0.450
  151    HA   SER  23           HA       SER  23  14.332   3.005  -1.880
  152    HB2  SER  23           HB2      SER  23  16.288   2.085  -3.082
  153    HB3  SER  23           HB3      SER  23  16.172   3.842  -3.149
  154    HG   SER  23           HG       SER  23  17.778   3.943  -1.490
  155    H    ASN  24           H        ASN  24  13.673   0.999  -1.524
  156    HA   ASN  24           HA       ASN  24  15.083  -1.118  -0.283
  157    HB2  ASN  24           HB2      ASN  24  14.379   0.549   1.729
  158    HB3  ASN  24           HB3      ASN  24  12.825  -0.233   1.525
  159   HD21  ASN  24          HD21      ASN  24  16.282  -0.752   2.247
  160   HD22  ASN  24          HD22      ASN  24  16.060  -2.305   3.040
  161    H    TYR  25           H        TYR  25  13.271  -2.889   0.434
  162    HA   TYR  25           HA       TYR  25  11.382  -3.239  -1.796
  163    HB2  TYR  25           HB2      TYR  25  12.012  -4.810   0.726
  164    HB3  TYR  25           HB3      TYR  25  10.668  -5.216  -0.327
  165    HD1  TYR  25           HD1      TYR  25  11.033  -5.960  -2.661
  166    HD2  TYR  25           HD2      TYR  25  14.292  -5.379   0.101
  167    HE1  TYR  25           HE1      TYR  25  12.522  -7.330  -4.124
  168    HE2  TYR  25           HE2      TYR  25  15.779  -6.748  -1.355
  169    HH   TYR  25           HH       TYR  25  14.626  -8.202  -4.431
  170    H    ILE  26           H        ILE  26   9.165  -3.130  -1.657
  171    HA   ILE  26           HA       ILE  26   7.951  -1.671   0.664
  172    HB   ILE  26           HB       ILE  26   6.678  -2.512  -1.967
  173   HG12  ILE  26          HG12      ILE  26   8.061   0.056  -1.132
  174   HG13  ILE  26          HG13      ILE  26   8.390  -0.954  -2.533
  175   HG21  ILE  26          HG21      ILE  26   5.733  -0.562   0.195
  176   HG22  ILE  26          HG22      ILE  26   4.844  -1.013  -1.281
  177   HG23  ILE  26          HG23      ILE  26   5.109  -2.208  -0.023
  178   HD11  ILE  26          HD11      ILE  26   7.303   1.052  -3.269
  179   HD12  ILE  26          HD12      ILE  26   6.180  -0.311  -3.503
  180   HD13  ILE  26          HD13      ILE  26   5.957   0.823  -2.148
  181    H    HIS  27           H        HIS  27   7.122  -2.842   2.268
  182    HA   HIS  27           HA       HIS  27   6.523  -5.744   1.816
  183    HB2  HIS  27           HB2      HIS  27   7.160  -4.267   4.388
  184    HB3  HIS  27           HB3      HIS  27   6.880  -5.990   4.217
  185    HD2  HIS  27           HD2      HIS  27   9.539  -3.315   3.882
  186    HE1  HIS  27           HE1      HIS  27  11.423  -6.937   2.688
  187    HE2  HIS  27           HE2      HIS  27  11.809  -4.484   3.275
  188    H    ILE  28           H        ILE  28   4.406  -6.129   1.550
  189    HA   ILE  28           HA       ILE  28   2.399  -4.429   3.023
  190    HB   ILE  28           HB       ILE  28   1.861  -6.140   0.574
  191   HG12  ILE  28          HG12      ILE  28   2.247  -3.107   0.650
  192   HG13  ILE  28          HG13      ILE  28   3.475  -4.231   0.064
  193   HG21  ILE  28          HG21      ILE  28  -0.248  -4.757   0.556
  194   HG22  ILE  28          HG22      ILE  28  -0.091  -5.673   2.050
  195   HG23  ILE  28          HG23      ILE  28   0.280  -3.942   2.028
  196   HD11  ILE  28          HD11      ILE  28   2.310  -3.328  -1.823
  197   HD12  ILE  28          HD12      ILE  28   1.950  -5.061  -1.679
  198   HD13  ILE  28          HD13      ILE  28   0.747  -3.852  -1.186
  199    H    ARG  29           H        ARG  29   1.980  -5.313   4.850
  200    HA   ARG  29           HA       ARG  29   1.967  -8.267   5.262
  201    HB2  ARG  29           HB2      ARG  29   2.354  -6.006   7.267
  202    HB3  ARG  29           HB3      ARG  29   2.606  -7.730   7.553
  203    HG2  ARG  29           HG2      ARG  29   4.524  -7.673   5.947
  204    HG3  ARG  29           HG3      ARG  29   4.279  -5.932   5.732
  205    HD2  ARG  29           HD2      ARG  29   4.628  -5.603   8.177
  206    HD3  ARG  29           HD3      ARG  29   4.976  -7.325   8.355
  207    HE   ARG  29           HE       ARG  29   6.734  -5.242   7.329
  208   HH11  ARG  29          HH11      ARG  29   6.242  -8.752   7.142
  209   HH12  ARG  29          HH12      ARG  29   7.882  -9.017   6.636
  210   HH21  ARG  29          HH21      ARG  29   8.730  -5.633   6.729
  211   HH22  ARG  29          HH22      ARG  29   9.309  -7.255   6.398
  212    H    ILE  30           H        ILE  30   0.592  -8.871   7.269
  213    HA   ILE  30           HA       ILE  30  -1.917  -7.248   7.506
  214    HB   ILE  30           HB       ILE  30  -1.666 -10.272   7.352
  215   HG12  ILE  30          HG12      ILE  30  -3.303  -8.316   5.674
  216   HG13  ILE  30          HG13      ILE  30  -1.784  -9.053   5.168
  217   HG21  ILE  30          HG21      ILE  30  -3.236  -9.707   9.179
  218   HG22  ILE  30          HG22      ILE  30  -4.113  -8.610   8.091
  219   HG23  ILE  30          HG23      ILE  30  -4.111 -10.366   7.829
  220   HD11  ILE  30          HD11      ILE  30  -4.388 -10.542   5.681
  221   HD12  ILE  30          HD12      ILE  30  -3.598 -10.255   4.140
  222   HD13  ILE  30          HD13      ILE  30  -2.818 -11.316   5.339
  223    H    GLN  31           H        GLN  31  -2.745  -7.098   9.601
  224    HA   GLN  31           HA       GLN  31  -0.752  -7.539  11.758
  225    HB2  GLN  31           HB2      GLN  31  -3.450  -6.121  11.764
  226    HB3  GLN  31           HB3      GLN  31  -2.338  -6.194  13.128
  227    HG2  GLN  31           HG2      GLN  31  -1.732  -4.872  10.444
  228    HG3  GLN  31           HG3      GLN  31  -2.201  -4.036  11.921
  229   HE21  GLN  31          HE21      GLN  31  -0.659  -4.087  13.800
  230   HE22  GLN  31          HE22      GLN  31   1.038  -4.366  13.452
  231    H    GLN  32           H        GLN  32  -1.022  -8.830  13.477
  232    HA   GLN  32           HA       GLN  32  -3.281 -10.773  13.499
  233    HB2  GLN  32           HB2      GLN  32  -1.855 -12.126  14.967
  234    HB3  GLN  32           HB3      GLN  32  -1.173 -11.892  13.374
  235    HG2  GLN  32           HG2      GLN  32  -0.237 -10.490  15.910
  236    HG3  GLN  32           HG3      GLN  32   0.538 -11.856  15.126
  237   HE21  GLN  32          HE21      GLN  32   1.394 -11.456  12.789
  238   HE22  GLN  32          HE22      GLN  32   1.953  -9.811  12.476
  239    H    ARG  33           H        ARG  33  -4.799 -10.603  15.044
  240    HA   ARG  33           HA       ARG  33  -4.395  -9.246  17.579
  241    HB2  ARG  33           HB2      ARG  33  -5.860  -7.353  17.181
  242    HB3  ARG  33           HB3      ARG  33  -4.477  -7.304  16.100
  243    HG2  ARG  33           HG2      ARG  33  -5.983  -8.334  14.292
  244    HG3  ARG  33           HG3      ARG  33  -7.344  -8.056  15.385
  245    HD2  ARG  33           HD2      ARG  33  -5.441  -5.946  14.279
  246    HD3  ARG  33           HD3      ARG  33  -7.073  -6.245  13.709
  247    HE   ARG  33           HE       ARG  33  -6.250  -4.991  16.276
  248   HH11  ARG  33          HH11      ARG  33  -8.984  -5.825  14.163
  249   HH12  ARG  33          HH12      ARG  33 -10.073  -4.814  15.076
  250   HH21  ARG  33          HH21      ARG  33  -7.725  -3.767  17.397
  251   HH22  ARG  33          HH22      ARG  33  -9.380  -3.690  16.881
  252    H    ASN  34           H        ASN  34  -6.268  -9.191  18.932
  253    HA   ASN  34           HA       ASN  34  -7.978 -11.530  18.609
  254    HB2  ASN  34           HB2      ASN  34  -8.652 -11.101  20.860
  255    HB3  ASN  34           HB3      ASN  34  -6.914 -10.860  20.764
  256   HD21  ASN  34          HD21      ASN  34  -9.869  -9.452  21.797
  257   HD22  ASN  34          HD22      ASN  34  -9.262  -7.828  22.056
  258    H    GLY  35           H        GLY  35  -8.357  -8.197  17.760
  259    HA2  GLY  35           HA2      GLY  35 -11.249  -8.003  17.995
  260    HA3  GLY  35           HA3      GLY  35 -10.180  -6.903  17.105
  261    H    ARG  36           H        ARG  36 -12.785  -7.941  16.337
  262    HA   ARG  36           HA       ARG  36 -12.619 -10.149  14.554
  263    HB2  ARG  36           HB2      ARG  36 -14.660  -7.892  14.729
  264    HB3  ARG  36           HB3      ARG  36 -14.859  -9.362  13.764
  265    HG2  ARG  36           HG2      ARG  36 -14.677 -10.755  15.809
  266    HG3  ARG  36           HG3      ARG  36 -14.522  -9.288  16.796
  267    HD2  ARG  36           HD2      ARG  36 -16.744  -8.523  16.016
  268    HD3  ARG  36           HD3      ARG  36 -16.909  -9.999  15.040
  269    HE   ARG  36           HE       ARG  36 -16.347 -10.794  17.691
  270   HH11  ARG  36          HH11      ARG  36 -19.016  -9.207  15.995
  271   HH12  ARG  36          HH12      ARG  36 -20.201  -9.785  17.128
  272   HH21  ARG  36          HH21      ARG  36 -17.926 -11.508  19.114
  273   HH22  ARG  36          HH22      ARG  36 -19.588 -11.072  18.868
  274    H    LYS  37           H        LYS  37 -12.163  -6.688  13.900
  275    HA   LYS  37           HA       LYS  37 -12.171  -7.052  10.981
  276    HB2  LYS  37           HB2      LYS  37 -11.573  -4.648  12.754
  277    HB3  LYS  37           HB3      LYS  37 -11.536  -4.626  10.987
  278    HG2  LYS  37           HG2      LYS  37 -13.921  -5.318  10.907
  279    HG3  LYS  37           HG3      LYS  37 -13.975  -5.361  12.672
  280    HD2  LYS  37           HD2      LYS  37 -14.989  -3.319  11.892
  281    HD3  LYS  37           HD3      LYS  37 -13.499  -2.932  12.764
  282    HE2  LYS  37           HE2      LYS  37 -12.298  -2.621  10.629
  283    HE3  LYS  37           HE3      LYS  37 -13.731  -3.122   9.720
  284    HZ1  LYS  37           HZ1      LYS  37 -13.610  -0.724  11.464
  285    HZ2  LYS  37           HZ2      LYS  37 -14.883  -1.168  10.532
  286    HZ3  LYS  37           HZ3      LYS  37 -13.472  -0.697   9.835
  287    H    THR  38           H        THR  38 -10.514  -7.304   9.654
  288    HA   THR  38           HA       THR  38  -7.773  -7.739  10.611
  289    HB   THR  38           HB       THR  38  -8.933  -7.809   7.790
  290    HG1  THR  38           HG1      THR  38  -9.108 -10.033   8.229
  291   HG21  THR  38          HG21      THR  38  -7.034  -9.426   7.403
  292   HG22  THR  38          HG22      THR  38  -6.379  -8.975   8.990
  293   HG23  THR  38          HG23      THR  38  -6.500  -7.769   7.679
  294    H    LEU  39           H        LEU  39  -5.941  -6.563   9.898
  295    HA   LEU  39           HA       LEU  39  -6.404  -4.015   8.419
  296    HB2  LEU  39           HB2      LEU  39  -4.527  -4.387  10.787
  297    HB3  LEU  39           HB3      LEU  39  -4.592  -2.960   9.762
  298    HG   LEU  39           HG       LEU  39  -6.869  -3.919  11.556
  299   HD11  LEU  39          HD11      LEU  39  -6.226  -2.022  12.997
  300   HD12  LEU  39          HD12      LEU  39  -4.850  -1.662  11.927
  301   HD13  LEU  39          HD13      LEU  39  -4.899  -3.185  12.844
  302   HD21  LEU  39          HD21      LEU  39  -7.730  -2.604   9.682
  303   HD22  LEU  39          HD22      LEU  39  -6.502  -1.346   9.943
  304   HD23  LEU  39          HD23      LEU  39  -7.781  -1.625  11.147
  305    H    THR  40           H        THR  40  -5.095  -3.715   6.792
  306    HA   THR  40           HA       THR  40  -2.754  -5.484   6.234
  307    HB   THR  40           HB       THR  40  -4.366  -3.546   4.519
  308    HG1  THR  40           HG1      THR  40  -5.218  -5.586   5.047
  309   HG21  THR  40          HG21      THR  40  -1.966  -5.275   3.739
  310   HG22  THR  40          HG22      THR  40  -2.010  -3.494   3.723
  311   HG23  THR  40          HG23      THR  40  -3.032  -4.412   2.613
  312    H    THR  41           H        THR  41  -0.696  -4.616   6.214
  313    HA   THR  41           HA       THR  41  -0.362  -1.754   7.019
  314    HB   THR  41           HB       THR  41   1.689  -2.813   8.322
  315    HG1  THR  41           HG1      THR  41   0.821  -4.737   9.374
  316   HG21  THR  41          HG21      THR  41  -0.135  -1.391   9.200
  317   HG22  THR  41          HG22      THR  41   0.268  -2.691  10.319
  318   HG23  THR  41          HG23      THR  41  -1.200  -2.809   9.311
  319    H    VAL  42           H        VAL  42   0.707  -0.625   5.706
  320    HA   VAL  42           HA       VAL  42   2.551  -1.927   3.736
  321    HB   VAL  42           HB       VAL  42   1.530   0.926   3.689
  322   HG11  VAL  42          HG11      VAL  42   3.593   0.570   2.374
  323   HG12  VAL  42          HG12      VAL  42   2.843  -0.809   1.548
  324   HG13  VAL  42          HG13      VAL  42   2.211   0.837   1.312
  325   HG21  VAL  42          HG21      VAL  42   0.441  -1.513   2.238
  326   HG22  VAL  42          HG22      VAL  42  -0.403  -0.585   3.500
  327   HG23  VAL  42          HG23      VAL  42  -0.050   0.181   1.954
  328    H    GLN  43           H        GLN  43   4.614  -1.853   4.071
  329    HA   GLN  43           HA       GLN  43   5.931   0.344   5.636
  330    HB2  GLN  43           HB2      GLN  43   5.673  -1.780   6.916
  331    HB3  GLN  43           HB3      GLN  43   6.413  -2.664   5.601
  332    HG2  GLN  43           HG2      GLN  43   8.562  -1.385   6.014
  333    HG3  GLN  43           HG3      GLN  43   7.771  -0.611   7.394
  334   HE21  GLN  43          HE21      GLN  43   8.625  -1.594   9.270
  335   HE22  GLN  43          HE22      GLN  43   8.894  -3.334   9.392
  336    H    GLY  44           H        GLY  44   8.092   0.879   4.924
  337    HA2  GLY  44           HA2      GLY  44   9.958   0.894   3.586
  338    HA3  GLY  44           HA3      GLY  44   9.396  -0.618   2.848
  339    H    VAL  45           H        VAL  45   6.907   1.396   2.261
  340    HA   VAL  45           HA       VAL  45   7.459   1.974  -0.448
  341    HB   VAL  45           HB       VAL  45   5.211   1.953   0.362
  342   HG11  VAL  45          HG11      VAL  45   5.490   3.082   2.562
  343   HG12  VAL  45          HG12      VAL  45   5.715   4.629   1.712
  344   HG13  VAL  45          HG13      VAL  45   4.173   3.764   1.595
  345   HG21  VAL  45          HG21      VAL  45   5.745   3.178  -1.734
  346   HG22  VAL  45          HG22      VAL  45   4.330   3.835  -0.905
  347   HG23  VAL  45          HG23      VAL  45   5.883   4.691  -0.810
  348    HA   PRO  46           HA       PRO  46  10.564   5.150  -0.148
  349    HB2  PRO  46           HB2      PRO  46   9.295   6.023  -2.755
  350    HB3  PRO  46           HB3      PRO  46  11.014   5.922  -2.359
  351    HG2  PRO  46           HG2      PRO  46   9.872   3.931  -3.765
  352    HG3  PRO  46           HG3      PRO  46  10.947   3.509  -2.389
  353    HD2  PRO  46           HD2      PRO  46   7.915   3.593  -2.446
  354    HD3  PRO  46           HD3      PRO  46   9.017   2.369  -1.742
  355    H    GLU  47           H        GLU  47  10.720   7.182   0.680
  356    HA   GLU  47           HA       GLU  47   8.279   8.506   1.521
  357    HB2  GLU  47           HB2      GLU  47  11.237   9.069   1.914
  358    HB3  GLU  47           HB3      GLU  47   9.972  10.150   2.521
  359    HG2  GLU  47           HG2      GLU  47   8.953   8.258   3.779
  360    HG3  GLU  47           HG3      GLU  47  10.257   7.203   3.232
  361    H    GLU  48           H        GLU  48   9.968   8.748  -1.389
  362    HA   GLU  48           HA       GLU  48   9.357  11.542  -1.976
  363    HB2  GLU  48           HB2      GLU  48   9.941  11.035  -4.248
  364    HB3  GLU  48           HB3      GLU  48  11.159  10.384  -3.156
  365    HG2  GLU  48           HG2      GLU  48  10.218   8.114  -3.432
  366    HG3  GLU  48           HG3      GLU  48   8.952   8.745  -4.491
  367    H    TYR  49           H        TYR  49   7.466   8.621  -1.819
  368    HA   TYR  49           HA       TYR  49   5.213   9.796  -3.352
  369    HB2  TYR  49           HB2      TYR  49   5.504   7.119  -1.939
  370    HB3  TYR  49           HB3      TYR  49   4.119   7.649  -2.877
  371    HD1  TYR  49           HD2      TYR  49   4.619   8.406  -5.367
  372    HD2  TYR  49           HD1      TYR  49   7.186   5.841  -3.033
  373    HE1  TYR  49           HE2      TYR  49   5.599   7.492  -7.458
  374    HE2  TYR  49           HE1      TYR  49   8.151   4.910  -5.128
  375    HH   TYR  49           HH       TYR  49   7.068   5.980  -8.377
  376    H    ASP  50           H        ASP  50   3.593  10.863  -2.355
  377    HA   ASP  50           HA       ASP  50   3.699  11.437   0.484
  378    HB2  ASP  50           HB2      ASP  50   1.651  12.090  -1.666
  379    HB3  ASP  50           HB3      ASP  50   1.528  12.628   0.007
  380    H    LEU  51           H        LEU  51   3.046  10.103   2.043
  381    HA   LEU  51           HA       LEU  51   1.487   7.759   1.662
  382    HB2  LEU  51           HB2      LEU  51   1.893   9.369   4.214
  383    HB3  LEU  51           HB3      LEU  51   1.392   7.681   4.113
  384    HG   LEU  51           HG       LEU  51   4.115   8.844   3.402
  385   HD11  LEU  51          HD11      LEU  51   3.212   6.909   5.580
  386   HD12  LEU  51          HD12      LEU  51   3.610   8.626   5.808
  387   HD13  LEU  51          HD13      LEU  51   4.871   7.484   5.310
  388   HD21  LEU  51          HD21      LEU  51   3.227   5.930   3.205
  389   HD22  LEU  51          HD22      LEU  51   4.883   6.536   3.025
  390   HD23  LEU  51          HD23      LEU  51   3.658   6.988   1.836
  391    H    LYS  52           H        LYS  52   0.481  11.008   2.683
  392    HA   LYS  52           HA       LYS  52  -2.295  10.480   3.100
  393    HB2  LYS  52           HB2      LYS  52  -0.839  13.003   2.193
  394    HB3  LYS  52           HB3      LYS  52  -2.538  12.938   2.690
  395    HG2  LYS  52           HG2      LYS  52  -1.861  12.093   4.930
  396    HG3  LYS  52           HG3      LYS  52  -0.156  12.213   4.458
  397    HD2  LYS  52           HD2      LYS  52  -0.424  14.652   4.091
  398    HD3  LYS  52           HD3      LYS  52  -2.130  14.534   4.581
  399    HE2  LYS  52           HE2      LYS  52  -1.427  13.672   6.807
  400    HE3  LYS  52           HE3      LYS  52   0.270  13.782   6.320
  401    HZ1  LYS  52           HZ1      LYS  52  -0.409  15.718   7.607
  402    HZ2  LYS  52           HZ2      LYS  52  -1.592  16.086   6.542
  403    HZ3  LYS  52           HZ3      LYS  52  -0.021  16.187   6.092
  404    H    ARG  53           H        ARG  53  -0.529  11.014   0.038
  405    HA   ARG  53           HA       ARG  53  -2.955  11.109  -1.572
  406    HB2  ARG  53           HB2      ARG  53  -0.862  12.113  -2.375
  407    HB3  ARG  53           HB3      ARG  53  -0.077  10.536  -2.374
  408    HG2  ARG  53           HG2      ARG  53  -0.690  11.166  -4.626
  409    HG3  ARG  53           HG3      ARG  53  -1.574   9.725  -4.136
  410    HD2  ARG  53           HD2      ARG  53  -3.587  11.127  -3.686
  411    HD3  ARG  53           HD3      ARG  53  -2.678  12.567  -4.195
  412    HE   ARG  53           HE       ARG  53  -2.512  10.640  -6.264
  413   HH11  ARG  53          HH11      ARG  53  -4.996  12.710  -4.831
  414   HH12  ARG  53          HH12      ARG  53  -5.965  12.701  -6.275
  415   HH21  ARG  53          HH21      ARG  53  -3.800  10.683  -8.097
  416   HH22  ARG  53          HH22      ARG  53  -5.290  11.577  -8.099
  417    H    ILE  54           H        ILE  54  -0.728   8.510  -0.497
  418    HA   ILE  54           HA       ILE  54  -1.971   6.347  -1.967
  419    HB   ILE  54           HB       ILE  54  -0.498   6.281   0.692
  420   HG12  ILE  54          HG12      ILE  54   0.468   5.716  -2.147
  421   HG13  ILE  54          HG13      ILE  54   0.838   7.162  -1.232
  422   HG21  ILE  54          HG21      ILE  54  -1.912   4.310   0.471
  423   HG22  ILE  54          HG22      ILE  54  -1.352   4.044  -1.192
  424   HG23  ILE  54          HG23      ILE  54  -0.249   3.836   0.184
  425   HD11  ILE  54          HD11      ILE  54   2.741   5.760  -1.100
  426   HD12  ILE  54          HD12      ILE  54   1.980   5.738   0.501
  427   HD13  ILE  54          HD13      ILE  54   1.787   4.356  -0.603
  428    H    LEU  55           H        LEU  55  -2.685   7.664   1.351
  429    HA   LEU  55           HA       LEU  55  -4.997   6.112   1.812
  430    HB2  LEU  55           HB2      LEU  55  -4.715   9.054   2.571
  431    HB3  LEU  55           HB3      LEU  55  -5.756   7.844   3.274
  432    HG   LEU  55           HG       LEU  55  -2.812   8.269   3.680
  433   HD11  LEU  55          HD11      LEU  55  -3.493   8.212   6.041
  434   HD12  LEU  55          HD12      LEU  55  -5.155   7.807   5.568
  435   HD13  LEU  55          HD13      LEU  55  -4.461   9.386   5.135
  436   HD21  LEU  55          HD21      LEU  55  -4.268   5.674   4.322
  437   HD22  LEU  55          HD22      LEU  55  -2.681   6.166   4.966
  438   HD23  LEU  55          HD23      LEU  55  -2.863   5.897   3.231
  439    H    LYS  56           H        LYS  56  -4.834   9.324   0.090
  440    HA   LYS  56           HA       LYS  56  -7.577   9.534  -0.335
  441    HB2  LYS  56           HB2      LYS  56  -5.751  11.286  -0.509
  442    HB3  LYS  56           HB3      LYS  56  -5.265  10.574  -2.045
  443    HG2  LYS  56           HG2      LYS  56  -6.584  12.518  -2.445
  444    HG3  LYS  56           HG3      LYS  56  -7.502  11.105  -2.986
  445    HD2  LYS  56           HD2      LYS  56  -8.891  11.192  -0.955
  446    HD3  LYS  56           HD3      LYS  56  -7.875  12.487  -0.288
  447    HE2  LYS  56           HE2      LYS  56  -8.527  13.956  -2.201
  448    HE3  LYS  56           HE3      LYS  56  -9.546  12.662  -2.845
  449    HZ1  LYS  56           HZ1      LYS  56 -10.840  14.253  -1.553
  450    HZ2  LYS  56           HZ2      LYS  56  -9.938  13.993  -0.218
  451    HZ3  LYS  56           HZ3      LYS  56 -10.885  12.798  -0.812
  452    H    VAL  57           H        VAL  57  -5.128   8.022  -2.471
  453    HA   VAL  57           HA       VAL  57  -7.008   7.473  -4.605
  454    HB   VAL  57           HB       VAL  57  -4.355   6.107  -4.002
  455   HG11  VAL  57          HG11      VAL  57  -5.572   4.622  -5.468
  456   HG12  VAL  57          HG12      VAL  57  -6.199   5.979  -6.436
  457   HG13  VAL  57          HG13      VAL  57  -4.489   5.545  -6.510
  458   HG21  VAL  57          HG21      VAL  57  -5.061   8.301  -6.000
  459   HG22  VAL  57          HG22      VAL  57  -4.224   8.566  -4.462
  460   HG23  VAL  57          HG23      VAL  57  -3.452   7.588  -5.715
  461    H    LEU  58           H        LEU  58  -5.804   5.439  -1.888
  462    HA   LEU  58           HA       LEU  58  -7.327   3.116  -2.701
  463    HB2  LEU  58           HB2      LEU  58  -6.055   3.835  -0.037
  464    HB3  LEU  58           HB3      LEU  58  -6.658   2.238  -0.485
  465    HG   LEU  58           HG       LEU  58  -4.348   3.698  -1.864
  466   HD11  LEU  58          HD11      LEU  58  -2.918   2.043  -0.827
  467   HD12  LEU  58          HD12      LEU  58  -4.320   1.241  -0.104
  468   HD13  LEU  58          HD13      LEU  58  -3.856   2.866   0.438
  469   HD21  LEU  58          HD21      LEU  58  -5.574   0.987  -2.430
  470   HD22  LEU  58          HD22      LEU  58  -3.947   1.475  -2.953
  471   HD23  LEU  58          HD23      LEU  58  -5.347   2.374  -3.538
  472    H    LYS  59           H        LYS  59  -8.150   5.827  -0.539
  473    HA   LYS  59           HA       LYS  59 -10.718   4.676   0.233
  474    HB2  LYS  59           HB2      LYS  59  -9.596   7.509   0.297
  475    HB3  LYS  59           HB3      LYS  59 -11.189   7.057   0.928
  476    HG2  LYS  59           HG2      LYS  59 -10.166   5.429   2.458
  477    HG3  LYS  59           HG3      LYS  59  -8.559   5.828   1.878
  478    HD2  LYS  59           HD2      LYS  59  -8.971   8.241   2.598
  479    HD3  LYS  59           HD3      LYS  59 -10.467   7.668   3.374
  480    HE2  LYS  59           HE2      LYS  59  -9.043   5.989   4.643
  481    HE3  LYS  59           HE3      LYS  59  -7.608   6.750   3.961
  482    HZ1  LYS  59           HZ1      LYS  59  -8.298   8.824   5.083
  483    HZ2  LYS  59           HZ2      LYS  59  -8.089   7.603   6.159
  484    HZ3  LYS  59           HZ3      LYS  59  -9.600   8.065   5.731
  485    H    LYS  60           H        LYS  60  -9.679   6.717  -2.502
  486    HA   LYS  60           HA       LYS  60 -12.390   7.232  -3.422
  487    HB2  LYS  60           HB2      LYS  60 -10.503   8.772  -3.755
  488    HB3  LYS  60           HB3      LYS  60  -9.678   7.586  -4.774
  489    HG2  LYS  60           HG2      LYS  60 -11.522   7.713  -6.428
  490    HG3  LYS  60           HG3      LYS  60 -12.392   8.847  -5.374
  491    HD2  LYS  60           HD2      LYS  60 -10.542  10.487  -5.605
  492    HD3  LYS  60           HD3      LYS  60  -9.621   9.322  -6.560
  493    HE2  LYS  60           HE2      LYS  60 -10.593  10.880  -8.093
  494    HE3  LYS  60           HE3      LYS  60 -11.411   9.330  -8.301
  495    HZ1  LYS  60           HZ1      LYS  60 -12.485  11.635  -6.759
  496    HZ2  LYS  60           HZ2      LYS  60 -13.262  10.210  -6.980
  497    HZ3  LYS  60           HZ3      LYS  60 -12.973  11.191  -8.252
  498    H    ASP  61           H        ASP  61  -9.763   5.241  -4.862
  499    HA   ASP  61           HA       ASP  61 -11.580   4.260  -6.924
  500    HB2  ASP  61           HB2      ASP  61  -9.195   4.964  -7.285
  501    HB3  ASP  61           HB3      ASP  61  -8.674   3.543  -6.389
  502    H    PHE  62           H        PHE  62  -9.833   2.729  -4.182
  503    HA   PHE  62           HA       PHE  62 -11.008   0.087  -4.781
  504    HB2  PHE  62           HB2      PHE  62  -9.074   1.026  -2.626
  505    HB3  PHE  62           HB3      PHE  62  -9.623  -0.613  -2.833
  506    HD1  PHE  62           HD1      PHE  62  -7.778   2.125  -4.636
  507    HD2  PHE  62           HD2      PHE  62  -8.472  -2.109  -4.214
  508    HE1  PHE  62           HE1      PHE  62  -5.830   1.667  -6.073
  509    HE2  PHE  62           HE2      PHE  62  -6.504  -2.563  -5.653
  510    HZ   PHE  62           HZ       PHE  62  -5.182  -0.693  -6.594
  511    H    ALA  63           H        ALA  63 -11.909   2.806  -2.959
  512    HA   ALA  63           HA       ALA  63 -13.465   3.280  -1.391
  513    HB1  ALA  63           HB1      ALA  63 -14.696   0.577  -2.055
  514    HB2  ALA  63           HB2      ALA  63 -15.497   1.975  -1.322
  515    HB3  ALA  63           HB3      ALA  63 -14.927   2.068  -2.997
  516    H    CYS  64           H        CYS  64 -10.985   2.113  -0.487
  517    HA   CYS  64           HA       CYS  64 -11.617   0.400   1.836
  518    HB2  CYS  64           HB2      CYS  64  -9.033   1.614   0.731
  519    HB3  CYS  64           HB3      CYS  64  -9.109   0.566   2.152
  520    HG   CYS  64           HG       CYS  64 -10.285  -1.474   0.952
  521    H    ASN  65           H        ASN  65 -10.060   1.250   3.809
  522    HA   ASN  65           HA       ASN  65 -10.240   4.117   4.252
  523    HB2  ASN  65           HB2      ASN  65 -12.453   3.172   5.098
  524    HB3  ASN  65           HB3      ASN  65 -11.532   2.290   6.313
  525   HD21  ASN  65          HD21      ASN  65 -13.183   3.749   7.595
  526   HD22  ASN  65          HD22      ASN  65 -12.558   5.318   8.081
  527    H    GLY  66           H        GLY  66  -8.790   4.787   6.035
  528    HA2  GLY  66           HA2      GLY  66  -6.903   3.006   7.237
  529    HA3  GLY  66           HA3      GLY  66  -6.298   3.468   5.670
  530    H    ASN  67           H        ASN  67  -4.754   3.994   7.587
  531    HA   ASN  67           HA       ASN  67  -4.638   6.919   7.971
  532    HB2  ASN  67           HB2      ASN  67  -4.869   4.954  10.296
  533    HB3  ASN  67           HB3      ASN  67  -4.285   6.602  10.472
  534   HD21  ASN  67          HD21      ASN  67  -7.107   4.656  10.478
  535   HD22  ASN  67          HD22      ASN  67  -8.263   5.977  10.452
  536    H    ILE  68           H        ILE  68  -2.571   7.628   8.829
  537    HA   ILE  68           HA       ILE  68  -0.272   5.773   8.327
  538    HB   ILE  68           HB       ILE  68  -0.345   8.777   8.810
  539   HG12  ILE  68          HG12      ILE  68   0.395   7.434   6.186
  540   HG13  ILE  68          HG13      ILE  68  -1.278   7.823   6.532
  541   HG21  ILE  68          HG21      ILE  68   1.961   6.923   8.029
  542   HG22  ILE  68          HG22      ILE  68   2.053   8.695   8.072
  543   HG23  ILE  68          HG23      ILE  68   1.789   7.803   9.564
  544   HD11  ILE  68          HD11      ILE  68  -0.339   9.621   5.251
  545   HD12  ILE  68          HD12      ILE  68  -0.700  10.206   6.880
  546   HD13  ILE  68          HD13      ILE  68   0.979   9.849   6.416
  547    H    VAL  69           H        VAL  69   0.838   4.917  10.030
  548    HA   VAL  69           HA       VAL  69   0.560   6.080  12.777
  549    HB   VAL  69           HB       VAL  69   0.060   3.149  12.080
  550   HG11  VAL  69          HG11      VAL  69   0.022   4.584  14.772
  551   HG12  VAL  69          HG12      VAL  69  -0.557   2.927  14.499
  552   HG13  VAL  69          HG13      VAL  69   1.146   3.302  14.259
  553   HG21  VAL  69          HG21      VAL  69  -2.244   3.536  12.983
  554   HG22  VAL  69          HG22      VAL  69  -1.899   5.273  13.057
  555   HG23  VAL  69          HG23      VAL  69  -1.939   4.423  11.492
  556    H    LYS  70           H        LYS  70   2.431   5.823  14.017
  557    HA   LYS  70           HA       LYS  70   4.712   4.383  12.750
  558    HB2  LYS  70           HB2      LYS  70   4.944   6.784  13.612
  559    HB3  LYS  70           HB3      LYS  70   4.860   6.098  15.244
  560    HG2  LYS  70           HG2      LYS  70   6.806   4.582  14.614
  561    HG3  LYS  70           HG3      LYS  70   6.867   5.407  13.046
  562    HD2  LYS  70           HD2      LYS  70   7.236   7.586  14.304
  563    HD3  LYS  70           HD3      LYS  70   7.387   6.613  15.786
  564    HE2  LYS  70           HE2      LYS  70   9.251   5.322  14.708
  565    HE3  LYS  70           HE3      LYS  70   9.096   6.339  13.269
  566    HZ1  LYS  70           HZ1      LYS  70   9.966   7.229  15.962
  567    HZ2  LYS  70           HZ2      LYS  70   9.638   8.273  14.744
  568    HZ3  LYS  70           HZ3      LYS  70  10.858   7.191  14.612
  569    H    ASP  71           H        ASP  71   4.954   2.306  13.245
  570    HA   ASP  71           HA       ASP  71   3.719   1.080  15.583
  571    HB2  ASP  71           HB2      ASP  71   3.914   0.013  13.310
  572    HB3  ASP  71           HB3      ASP  71   5.647  -0.059  13.542
  573    HA   PRO  72           HA       PRO  72   7.190   1.578  18.411
  574    HB2  PRO  72           HB2      PRO  72   6.494  -1.256  19.216
  575    HB3  PRO  72           HB3      PRO  72   6.850   0.156  20.261
  576    HG2  PRO  72           HG2      PRO  72   4.298  -0.625  19.827
  577    HG3  PRO  72           HG3      PRO  72   4.722   1.122  19.802
  578    HD2  PRO  72           HD2      PRO  72   4.260  -0.752  17.486
  579    HD3  PRO  72           HD3      PRO  72   3.741   0.950  17.698
  580    H    GLU  73           H        GLU  73   6.994  -1.385  16.422
  581    HA   GLU  73           HA       GLU  73   9.993  -1.646  16.503
  582    HB2  GLU  73           HB2      GLU  73   7.880  -3.777  15.955
  583    HB3  GLU  73           HB3      GLU  73   9.636  -3.993  15.917
  584    HG2  GLU  73           HG2      GLU  73   9.640  -3.131  18.335
  585    HG3  GLU  73           HG3      GLU  73   7.893  -3.370  18.328
  586    H    MET  74           H        MET  74   7.148  -1.936  14.355
  587    HA   MET  74           HA       MET  74   8.810  -2.294  11.978
  588    HB2  MET  74           HB2      MET  74   5.803  -2.010  12.355
  589    HB3  MET  74           HB3      MET  74   6.562  -2.222  10.789
  590    HG2  MET  74           HG2      MET  74   7.708  -4.291  11.712
  591    HG3  MET  74           HG3      MET  74   6.697  -4.140  13.144
  592    HE1  MET  74           HE1      MET  74   3.772  -3.344  12.003
  593    HE2  MET  74           HE2      MET  74   3.158  -5.010  11.914
  594    HE3  MET  74           HE3      MET  74   4.209  -4.525  13.259
  595    H    GLY  75           H        GLY  75   7.808   0.580  13.550
  596    HA2  GLY  75           HA2      GLY  75   8.452   2.758  13.012
  597    HA3  GLY  75           HA3      GLY  75   9.047   2.190  11.438
  598    H    GLU  76           H        GLU  76   8.080   4.184  10.589
  599    HA   GLU  76           HA       GLU  76   5.291   4.682  10.821
  600    HB2  GLU  76           HB2      GLU  76   7.227   6.316  10.386
  601    HB3  GLU  76           HB3      GLU  76   7.097   5.829   8.682
  602    HG2  GLU  76           HG2      GLU  76   4.679   6.436   8.759
  603    HG3  GLU  76           HG3      GLU  76   4.858   6.882  10.457
  604    H    ILE  77           H        ILE  77   3.652   3.783   9.847
  605    HA   ILE  77           HA       ILE  77   3.874   2.497   7.180
  606    HB   ILE  77           HB       ILE  77   2.561   0.564   8.099
  607   HG12  ILE  77          HG12      ILE  77   3.322   1.645  10.845
  608   HG13  ILE  77          HG13      ILE  77   1.690   1.546  10.171
  609   HG21  ILE  77          HG21      ILE  77   5.270   0.720   9.441
  610   HG22  ILE  77          HG22      ILE  77   4.418  -0.697   8.770
  611   HG23  ILE  77          HG23      ILE  77   5.056   0.544   7.691
  612   HD11  ILE  77          HD11      ILE  77   2.037  -0.974  10.024
  613   HD12  ILE  77          HD12      ILE  77   3.514  -0.746  10.979
  614   HD13  ILE  77          HD13      ILE  77   1.943  -0.293  11.663
  615    H    ILE  78           H        ILE  78   1.916   2.161   6.090
  616    HA   ILE  78           HA       ILE  78  -0.431   3.758   7.051
  617    HB   ILE  78           HB       ILE  78   0.187   2.466   4.376
  618   HG12  ILE  78          HG12      ILE  78  -0.339   5.404   4.970
  619   HG13  ILE  78          HG13      ILE  78   1.285   4.718   5.054
  620   HG21  ILE  78          HG21      ILE  78  -2.189   2.164   4.739
  621   HG22  ILE  78          HG22      ILE  78  -2.367   3.831   5.321
  622   HG23  ILE  78          HG23      ILE  78  -1.998   3.494   3.617
  623   HD11  ILE  78          HD11      ILE  78   1.148   3.965   2.724
  624   HD12  ILE  78          HD12      ILE  78  -0.476   4.688   2.579
  625   HD13  ILE  78          HD13      ILE  78   0.923   5.721   2.866
  626    H    GLN  79           H        GLN  79  -2.111   2.778   7.928
  627    HA   GLN  79           HA       GLN  79  -2.401  -0.199   7.866
  628    HB2  GLN  79           HB2      GLN  79  -3.663   1.955   9.626
  629    HB3  GLN  79           HB3      GLN  79  -4.122   0.247   9.637
  630    HG2  GLN  79           HG2      GLN  79  -1.850  -0.386  10.346
  631    HG3  GLN  79           HG3      GLN  79  -1.345   1.306  10.331
  632   HE21  GLN  79          HE21      GLN  79  -0.850   0.164  12.674
  633   HE22  GLN  79          HE22      GLN  79  -2.082   0.563  13.858
  634    H    LEU  80           H        LEU  80  -3.984  -0.982   6.531
  635    HA   LEU  80           HA       LEU  80  -6.190   0.816   5.643
  636    HB2  LEU  80           HB2      LEU  80  -4.260  -0.088   3.949
  637    HB3  LEU  80           HB3      LEU  80  -5.273  -1.534   3.986
  638    HG   LEU  80           HG       LEU  80  -7.220  -0.127   3.235
  639   HD11  LEU  80          HD11      LEU  80  -6.400   2.126   3.949
  640   HD12  LEU  80          HD12      LEU  80  -6.722   2.093   2.215
  641   HD13  LEU  80          HD13      LEU  80  -5.051   1.998   2.813
  642   HD21  LEU  80          HD21      LEU  80  -6.355   0.067   0.865
  643   HD22  LEU  80          HD22      LEU  80  -5.892  -1.456   1.631
  644   HD23  LEU  80          HD23      LEU  80  -4.708  -0.166   1.505
  645    H    GLN  81           H        GLN  81  -8.261  -0.078   5.815
  646    HA   GLN  81           HA       GLN  81  -8.486  -2.321   7.670
  647    HB2  GLN  81           HB2      GLN  81 -10.578  -0.575   6.313
  648    HB3  GLN  81           HB3      GLN  81 -10.931  -1.827   7.515
  649    HG2  GLN  81           HG2      GLN  81  -9.486  -0.652   9.174
  650    HG3  GLN  81           HG3      GLN  81  -9.136   0.602   7.988
  651   HE21  GLN  81          HE21      GLN  81 -10.029   2.274   9.356
  652   HE22  GLN  81          HE22      GLN  81 -11.763   2.379   9.601
  653    H    GLY  82           H        GLY  82  -9.107  -4.360   7.355
  654    HA2  GLY  82           HA2      GLY  82  -9.925  -6.264   6.252
  655    HA3  GLY  82           HA3      GLY  82 -10.029  -5.379   4.725
  656    H    ASP  83           H        ASP  83  -9.063  -7.600   4.193
  657    HA   ASP  83           HA       ASP  83  -6.103  -7.683   4.361
  658    HB2  ASP  83           HB2      ASP  83  -6.315  -9.946   3.552
  659    HB3  ASP  83           HB3      ASP  83  -7.237  -9.692   5.022
  660    H    GLN  84           H        GLN  84  -5.558  -6.018   2.973
  661    HA   GLN  84           HA       GLN  84  -6.499  -6.113   0.143
  662    HB2  GLN  84           HB2      GLN  84  -5.337  -3.735   1.586
  663    HB3  GLN  84           HB3      GLN  84  -6.334  -3.746   0.136
  664    HG2  GLN  84           HG2      GLN  84  -7.233  -4.252   3.007
  665    HG3  GLN  84           HG3      GLN  84  -7.579  -2.852   2.028
  666   HE21  GLN  84          HE21      GLN  84  -9.714  -3.762   3.114
  667   HE22  GLN  84          HE22      GLN  84 -10.703  -4.703   1.987
  668    H    ARG  85           H        ARG  85  -4.061  -7.496   1.415
  669    HA   ARG  85           HA       ARG  85  -1.804  -6.087   0.715
  670    HB2  ARG  85           HB2      ARG  85  -0.546  -8.162   1.041
  671    HB3  ARG  85           HB3      ARG  85  -1.755  -7.887   2.288
  672    HG2  ARG  85           HG2      ARG  85  -3.295  -9.499   1.148
  673    HG3  ARG  85           HG3      ARG  85  -2.035  -9.828  -0.055
  674    HD2  ARG  85           HD2      ARG  85  -0.554 -10.694   1.687
  675    HD3  ARG  85           HD3      ARG  85  -1.720 -10.274   2.941
  676    HE   ARG  85           HE       ARG  85  -3.147 -11.880   1.181
  677   HH11  ARG  85          HH21      ARG  85  -0.239 -12.368   3.113
  678   HH12  ARG  85          HH22      ARG  85  -0.472 -14.099   3.194
  679   HH21  ARG  85          HH11      ARG  85  -3.419 -14.097   1.352
  680   HH22  ARG  85          HH12      ARG  85  -2.268 -15.052   2.234
  681    H    ALA  86           H        ALA  86  -3.492  -8.385  -1.389
  682    HA   ALA  86           HA       ALA  86  -1.631  -8.117  -3.620
  683    HB1  ALA  86           HB1      ALA  86  -3.041 -10.115  -3.252
  684    HB2  ALA  86           HB2      ALA  86  -4.510  -9.132  -3.450
  685    HB3  ALA  86           HB3      ALA  86  -3.402  -9.366  -4.819
  686    H    LYS  87           H        LYS  87  -4.672  -6.515  -2.673
  687    HA   LYS  87           HA       LYS  87  -5.073  -5.028  -5.104
  688    HB2  LYS  87           HB2      LYS  87  -5.989  -4.466  -2.246
  689    HB3  LYS  87           HB3      LYS  87  -6.611  -3.682  -3.689
  690    HG2  LYS  87           HG2      LYS  87  -7.392  -5.923  -4.545
  691    HG3  LYS  87           HG3      LYS  87  -6.845  -6.639  -3.012
  692    HD2  LYS  87           HD2      LYS  87  -8.303  -4.852  -1.860
  693    HD3  LYS  87           HD3      LYS  87  -9.051  -4.583  -3.438
  694    HE2  LYS  87           HE2      LYS  87  -9.851  -6.867  -3.544
  695    HE3  LYS  87           HE3      LYS  87  -8.827  -7.350  -2.181
  696    HZ1  LYS  87           HZ1      LYS  87 -11.119  -5.487  -1.976
  697    HZ2  LYS  87           HZ2      LYS  87 -10.117  -5.909  -0.745
  698    HZ3  LYS  87           HZ3      LYS  87 -11.092  -7.035  -1.441
  699    H    VAL  88           H        VAL  88  -3.484  -4.139  -2.015
  700    HA   VAL  88           HA       VAL  88  -2.675  -1.528  -2.941
  701    HB   VAL  88           HB       VAL  88  -1.530  -3.221  -0.701
  702   HG11  VAL  88          HG11      VAL  88  -0.584  -1.068   0.139
  703   HG12  VAL  88          HG12      VAL  88   0.169  -1.551  -1.372
  704   HG13  VAL  88          HG13      VAL  88  -1.065  -0.271  -1.368
  705   HG21  VAL  88          HG21      VAL  88  -2.840  -1.674   0.737
  706   HG22  VAL  88          HG22      VAL  88  -3.466  -0.862  -0.718
  707   HG23  VAL  88          HG23      VAL  88  -3.906  -2.538  -0.375
  708    H    CYS  89           H        CYS  89  -1.017  -4.740  -3.135
  709    HA   CYS  89           HA       CYS  89   1.410  -3.832  -4.306
  710    HB2  CYS  89           HB2      CYS  89   0.917  -6.150  -3.515
  711    HB3  CYS  89           HB3      CYS  89  -0.169  -6.385  -4.893
  712    HG   CYS  89           HG       CYS  89   2.092  -7.630  -5.374
  713    H    GLU  90           H        GLU  90  -1.662  -4.737  -5.947
  714    HA   GLU  90           HA       GLU  90  -0.904  -3.991  -8.550
  715    HB2  GLU  90           HB2      GLU  90  -2.904  -5.330  -7.854
  716    HB3  GLU  90           HB3      GLU  90  -3.699  -3.830  -7.351
  717    HG2  GLU  90           HG2      GLU  90  -3.570  -2.963  -9.644
  718    HG3  GLU  90           HG3      GLU  90  -2.636  -4.379 -10.148
  719    H    PHE  91           H        PHE  91  -2.253  -1.860  -5.937
  720    HA   PHE  91           HA       PHE  91  -2.518   0.494  -7.546
  721    HB2  PHE  91           HB2      PHE  91  -3.585   0.572  -5.457
  722    HB3  PHE  91           HB3      PHE  91  -2.211  -0.081  -4.598
  723    HD1  PHE  91           HD2      PHE  91  -3.346   2.982  -6.445
  724    HD2  PHE  91           HD1      PHE  91  -0.633   1.310  -3.552
  725    HE1  PHE  91           HE2      PHE  91  -2.444   5.257  -5.950
  726    HE2  PHE  91           HE1      PHE  91   0.234   3.576  -3.045
  727    HZ   PHE  91           HZ       PHE  91  -0.716   5.563  -4.237
  728    H    MET  92           H        MET  92   0.246  -0.698  -5.594
  729    HA   MET  92           HA       MET  92   2.012   1.499  -6.067
  730    HB2  MET  92           HB2      MET  92   2.592  -1.432  -5.534
  731    HB3  MET  92           HB3      MET  92   3.792  -0.155  -5.410
  732    HG2  MET  92           HG2      MET  92   1.236  -0.079  -3.787
  733    HG3  MET  92           HG3      MET  92   2.609  -1.037  -3.264
  734    HE1  MET  92           HE1      MET  92   2.161   2.099  -0.896
  735    HE2  MET  92           HE2      MET  92   0.851   1.465  -1.909
  736    HE3  MET  92           HE3      MET  92   1.935   0.342  -1.064
  737    H    ILE  93           H        ILE  93   1.546  -1.557  -7.869
  738    HA   ILE  93           HA       ILE  93   3.536  -0.975  -9.901
  739    HB   ILE  93           HB       ILE  93   1.167  -2.884  -9.902
  740   HG12  ILE  93          HG12      ILE  93   4.115  -3.557  -9.475
  741   HG13  ILE  93          HG13      ILE  93   3.042  -3.202  -8.136
  742   HG21  ILE  93          HG21      ILE  93   1.935  -2.438 -12.226
  743   HG22  ILE  93          HG22      ILE  93   3.604  -2.827 -11.745
  744   HG23  ILE  93          HG23      ILE  93   2.348  -4.075 -11.737
  745   HD11  ILE  93          HD11      ILE  93   1.528  -5.057  -8.827
  746   HD12  ILE  93          HD12      ILE  93   2.715  -5.514 -10.073
  747   HD13  ILE  93          HD13      ILE  93   3.156  -5.572  -8.360
  748    H    SER  94           H        SER  94  -0.027  -0.578  -9.879
  749    HA   SER  94           HA       SER  94  -0.128   0.329 -12.616
  750    HB2  SER  94           HB2      SER  94  -1.969  -0.865 -11.514
  751    HB3  SER  94           HB3      SER  94  -2.144   0.445 -10.339
  752    HG   SER  94           HG       SER  94  -2.791   0.444 -13.103
  753    H    GLN  95           H        GLN  95  -0.464   2.148  -9.509
  754    HA   GLN  95           HA       GLN  95  -0.917   4.642 -11.068
  755    HB2  GLN  95           HB2      GLN  95  -1.255   4.021  -8.110
  756    HB3  GLN  95           HB3      GLN  95  -1.715   5.521  -8.907
  757    HG2  GLN  95           HG2      GLN  95  -2.939   2.771  -9.435
  758    HG3  GLN  95           HG3      GLN  95  -3.674   4.091  -8.540
  759   HE21  GLN  95          HE21      GLN  95  -3.331   2.715 -11.728
  760   HE22  GLN  95          HE22      GLN  95  -4.073   4.069 -12.564
  761    H    LEU  96           H        LEU  96   1.446   3.342  -8.687
  762    HA   LEU  96           HA       LEU  96   2.946   5.902  -8.779
  763    HB2  LEU  96           HB2      LEU  96   3.839   3.319  -7.469
  764    HB3  LEU  96           HB3      LEU  96   4.427   4.935  -7.195
  765    HG   LEU  96           HG       LEU  96   1.694   3.881  -6.363
  766   HD11  LEU  96          HD11      LEU  96   3.635   3.134  -5.022
  767   HD12  LEU  96          HD12      LEU  96   2.552   4.187  -4.097
  768   HD13  LEU  96          HD13      LEU  96   4.088   4.823  -4.728
  769   HD21  LEU  96          HD21      LEU  96   2.860   6.687  -6.066
  770   HD22  LEU  96          HD22      LEU  96   1.435   6.090  -5.198
  771   HD23  LEU  96          HD23      LEU  96   1.393   6.232  -6.958
  772    H    GLY  97           H        GLY  97   2.773   3.041 -10.632
  773    HA2  GLY  97           HA2      GLY  97   3.869   2.487 -12.591
  774    HA3  GLY  97           HA3      GLY  97   4.937   3.897 -12.383
  775    H    LEU  98           H        LEU  98   4.786   1.687  -9.693
  776    HA   LEU  98           HA       LEU  98   7.620   1.182  -9.919
  777    HB2  LEU  98           HB2      LEU  98   5.488   0.203  -7.994
  778    HB3  LEU  98           HB3      LEU  98   7.178  -0.223  -7.827
  779    HG   LEU  98           HG       LEU  98   6.245   2.687  -7.899
  780   HD11  LEU  98          HD11      LEU  98   6.714   0.855  -5.526
  781   HD12  LEU  98          HD12      LEU  98   5.169   1.579  -6.018
  782   HD13  LEU  98          HD13      LEU  98   6.473   2.617  -5.424
  783   HD21  LEU  98          HD21      LEU  98   8.447   3.067  -6.773
  784   HD22  LEU  98          HD22      LEU  98   8.648   2.387  -8.389
  785   HD23  LEU  98          HD23      LEU  98   8.831   1.346  -6.958
  786    H    GLN  99           H        GLN  99   8.672  -0.892  -9.982
  787    HA   GLN  99           HA       GLN  99   7.348  -2.831 -11.794
  788    HB2  GLN  99           HB2      GLN  99  10.190  -2.677 -10.696
  789    HB3  GLN  99           HB3      GLN  99   9.575  -3.962 -11.751
  790    HG2  GLN  99           HG2      GLN  99   8.981  -2.226 -13.472
  791    HG3  GLN  99           HG3      GLN  99   9.716  -0.994 -12.448
  792   HE21  GLN  99          HE21      GLN  99  10.986  -0.671 -14.560
  793   HE22  GLN  99          HE22      GLN  99  12.430  -1.655 -14.745
  794    H    LYS 100           H        LYS 100   6.727  -4.885 -11.233
  795    HA   LYS 100           HA       LYS 100   5.675  -5.340  -8.701
  796    HB2  LYS 100           HB2      LYS 100   4.965  -6.381 -10.749
  797    HB3  LYS 100           HB3      LYS 100   6.430  -7.377 -10.797
  798    HG2  LYS 100           HG2      LYS 100   5.803  -8.593  -8.841
  799    HG3  LYS 100           HG3      LYS 100   4.559  -7.414  -8.376
  800    HD2  LYS 100           HD2      LYS 100   3.182  -7.983 -10.271
  801    HD3  LYS 100           HD3      LYS 100   4.456  -8.980 -10.957
  802    HE2  LYS 100           HE2      LYS 100   3.052  -9.540  -8.294
  803    HE3  LYS 100           HE3      LYS 100   2.528 -10.223  -9.834
  804    HZ1  LYS 100           HZ1      LYS 100   4.693 -11.313 -10.029
  805    HZ2  LYS 100           HZ2      LYS 100   3.935 -11.777  -8.660
  806    HZ3  LYS 100           HZ3      LYS 100   5.172 -10.715  -8.581
  807    H    LYS 101           H        LYS 101   8.873  -6.302  -9.872
  808    HA   LYS 101           HA       LYS 101   9.686  -8.086  -7.847
  809    HB2  LYS 101           HB2      LYS 101  11.871  -7.799  -8.729
  810    HB3  LYS 101           HB3      LYS 101  10.768  -7.590 -10.090
  811    HG2  LYS 101           HG2      LYS 101  10.961  -5.046  -9.658
  812    HG3  LYS 101           HG3      LYS 101  12.273  -5.447  -8.533
  813    HD2  LYS 101           HD2      LYS 101  13.433  -6.630 -10.473
  814    HD3  LYS 101           HD3      LYS 101  12.171  -5.941 -11.527
  815    HE2  LYS 101           HE2      LYS 101  12.791  -3.654 -10.485
  816    HE3  LYS 101           HE3      LYS 101  14.209  -4.459  -9.799
  817    HZ1  LYS 101           HZ1      LYS 101  13.528  -4.150 -12.662
  818    HZ2  LYS 101           HZ2      LYS 101  14.793  -5.077 -12.144
  819    HZ3  LYS 101           HZ3      LYS 101  14.791  -3.459 -11.891
  820    H    ASN 102           H        ASN 102   9.398  -4.596  -7.603
  821    HA   ASN 102           HA       ASN 102  11.186  -4.239  -5.350
  822    HB2  ASN 102           HB2      ASN 102   8.948  -2.498  -6.476
  823    HB3  ASN 102           HB3      ASN 102  10.052  -2.025  -5.200
  824   HD21  ASN 102          HD21      ASN 102  10.991  -0.290  -6.289
  825   HD22  ASN 102          HD22      ASN 102  12.011  -0.522  -7.700
  826    H    ILE 103           H        ILE 103   8.100  -5.721  -5.492
  827    HA   ILE 103           HA       ILE 103   7.316  -4.796  -2.752
  828    HB   ILE 103           HB       ILE 103   5.547  -5.895  -4.963
  829   HG12  ILE 103          HG12      ILE 103   5.819  -2.967  -4.123
  830   HG13  ILE 103          HG13      ILE 103   6.597  -3.637  -5.555
  831   HG21  ILE 103          HG21      ILE 103   4.921  -4.512  -2.301
  832   HG22  ILE 103          HG22      ILE 103   3.713  -4.982  -3.508
  833   HG23  ILE 103          HG23      ILE 103   4.636  -6.224  -2.688
  834   HD11  ILE 103          HD11      ILE 103   4.400  -4.322  -6.456
  835   HD12  ILE 103          HD12      ILE 103   3.618  -3.460  -5.110
  836   HD13  ILE 103          HD13      ILE 103   4.619  -2.571  -6.274
  837    H    LYS 104           H        LYS 104   7.038  -6.162  -1.185
  838    HA   LYS 104           HA       LYS 104   7.077  -9.123  -1.625
  839    HB2  LYS 104           HB2      LYS 104   7.873  -7.469   0.808
  840    HB3  LYS 104           HB3      LYS 104   7.871  -9.230   0.717
  841    HG2  LYS 104           HG2      LYS 104   9.687  -7.380  -0.879
  842    HG3  LYS 104           HG3      LYS 104  10.115  -8.285   0.573
  843    HD2  LYS 104           HD2      LYS 104   9.502 -10.421  -0.704
  844    HD3  LYS 104           HD3      LYS 104   9.423  -9.409  -2.168
  845    HE2  LYS 104           HE2      LYS 104  11.768  -8.639  -1.703
  846    HE3  LYS 104           HE3      LYS 104  11.816  -9.702  -0.290
  847    HZ1  LYS 104           HZ1      LYS 104  11.520 -11.597  -1.787
  848    HZ2  LYS 104           HZ2      LYS 104  12.844 -10.746  -2.223
  849    HZ3  LYS 104           HZ3      LYS 104  11.468 -10.616  -3.097
  850    H    ILE 105           H        ILE 105   5.230 -10.144  -1.148
  851    HA   ILE 105           HA       ILE 105   3.091  -8.786   0.472
  852    HB   ILE 105           HB       ILE 105   2.939 -11.061  -1.553
  853   HG12  ILE 105          HG12      ILE 105   1.843  -8.200  -1.594
  854   HG13  ILE 105          HG13      ILE 105   3.189  -8.803  -2.560
  855   HG21  ILE 105          HG21      ILE 105   1.355 -11.422   0.342
  856   HG22  ILE 105          HG22      ILE 105   0.716  -9.783   0.085
  857   HG23  ILE 105          HG23      ILE 105   0.504 -11.052  -1.142
  858   HD11  ILE 105          HD11      ILE 105   0.270  -9.595  -2.839
  859   HD12  ILE 105          HD12      ILE 105   1.278  -8.714  -3.985
  860   HD13  ILE 105          HD13      ILE 105   1.610 -10.426  -3.670
  861    H    HIS 106           H        HIS 106   2.776  -9.464   2.466
  862    HA   HIS 106           HA       HIS 106   3.915 -12.094   3.366
  863    HB2  HIS 106           HB2      HIS 106   3.706  -9.475   4.874
  864    HB3  HIS 106           HB3      HIS 106   4.398 -10.967   5.493
  865    HD2  HIS 106           HD2      HIS 106   5.286  -7.867   3.574
  866    HE1  HIS 106           HE1      HIS 106   8.763 -10.321   3.455
  867    HE2  HIS 106           HE2      HIS 106   7.870  -7.977   3.053
  868    H    GLY 107           H        GLY 107   2.964 -12.789   5.507
  869    HA2  GLY 107           HA2      GLY 107  -0.034 -12.649   5.520
  870    HA3  GLY 107           HA3      GLY 107   0.984 -13.899   6.261
  871    H    PHE 108           H        PHE 108   0.175 -13.768   8.250
  872    HA   PHE 108           HA       PHE 108   0.982 -11.502   9.974
  873    HB2  PHE 108           HB2      PHE 108  -1.154 -11.487  11.124
  874    HB3  PHE 108           HB3      PHE 108  -1.331 -11.045   9.453
  875    HD1  PHE 108           HD2      PHE 108  -2.524 -12.499   7.839
  876    HD2  PHE 108           HD1      PHE 108  -2.167 -13.571  12.002
  877    HE1  PHE 108           HE2      PHE 108  -4.353 -14.152   7.571
  878    HE2  PHE 108           HE1      PHE 108  -3.998 -15.224  11.729
  879    HZ   PHE 108           HZ       PHE 108  -5.095 -15.518   9.514
  Start of MODEL   19
    1    H1   MET   1           H        MET   1  -2.843   6.419  30.566
    2    H2   MET   1           H2       MET   1  -2.915   5.705  29.108
    3    H3   MET   1           H3       MET   1  -1.769   6.815  29.413
    4    HA   MET   1           HA       MET   1  -2.003   4.064  30.565
    5    HB2  MET   1           HB2      MET   1   0.278   5.311  28.983
    6    HB3  MET   1           HB3      MET   1   0.240   3.674  29.639
    7    HG2  MET   1           HG2      MET   1  -1.539   4.800  27.445
    8    HG3  MET   1           HG3      MET   1  -0.270   3.600  27.294
    9    HE1  MET   1           HE1      MET   1  -3.149   3.265  26.061
   10    HE2  MET   1           HE2      MET   1  -1.850   2.062  25.907
   11    HE3  MET   1           HE3      MET   1  -3.468   1.559  26.433
   12    H    SER   2           H        SER   2  -0.299   3.330  32.087
   13    HA   SER   2           HA       SER   2  -0.150   5.119  34.328
   14    HB2  SER   2           HB2      SER   2   1.170   3.231  35.327
   15    HB3  SER   2           HB3      SER   2  -0.401   2.763  34.655
   16    HG   SER   2           HG       SER   2   1.299   1.309  34.038
   17    H    ILE   3           H        ILE   3   2.239   4.289  31.864
   18    HA   ILE   3           HA       ILE   3   4.465   5.648  33.187
   19    HB   ILE   3           HB       ILE   3   4.585   3.627  31.692
   20   HG12  ILE   3          HG12      ILE   3   6.398   5.879  30.751
   21   HG13  ILE   3          HG13      ILE   3   6.551   5.067  32.314
   22   HG21  ILE   3          HG21      ILE   3   3.025   4.465  29.904
   23   HG22  ILE   3          HG22      ILE   3   4.282   5.606  29.387
   24   HG23  ILE   3          HG23      ILE   3   4.551   3.858  29.271
   25   HD11  ILE   3          HD11      ILE   3   6.825   3.762  29.574
   26   HD12  ILE   3          HD12      ILE   3   8.110   4.089  30.745
   27   HD13  ILE   3          HD13      ILE   3   6.861   2.889  31.126
   28    H    GLU   4           H        GLU   4   1.802   6.908  31.655
   29    HA   GLU   4           HA       GLU   4   3.067   8.897  29.942
   30    HB2  GLU   4           HB2      GLU   4   0.933   7.557  29.563
   31    HB3  GLU   4           HB3      GLU   4   0.154   8.632  30.739
   32    HG2  GLU   4           HG2      GLU   4   0.608  10.558  29.275
   33    HG3  GLU   4           HG3      GLU   4   1.454   9.501  28.132
   34    H    ASN   5           H        ASN   5   3.020  11.152  30.197
   35    HA   ASN   5           HA       ASN   5   3.005  12.238  32.895
   36    HB2  ASN   5           HB2      ASN   5   3.066  13.658  30.211
   37    HB3  ASN   5           HB3      ASN   5   3.436  14.387  31.770
   38   HD21  ASN   5          HD21      ASN   5   4.977  13.549  29.098
   39   HD22  ASN   5          HD22      ASN   5   6.481  12.928  29.764
   40    H    LEU   6           H        LEU   6   1.619  13.917  33.706
   41    HA   LEU   6           HA       LEU   6  -1.198  13.681  33.107
   42    HB2  LEU   6           HB2      LEU   6  -0.231  14.246  35.339
   43    HB3  LEU   6           HB3      LEU   6   0.356  15.776  34.689
   44    HG   LEU   6           HG       LEU   6  -1.994  16.507  34.290
   45   HD11  LEU   6          HD11      LEU   6  -3.855  15.223  35.349
   46   HD12  LEU   6          HD12      LEU   6  -2.735  13.880  35.665
   47   HD13  LEU   6          HD13      LEU   6  -3.136  14.346  33.996
   48   HD21  LEU   6          HD21      LEU   6  -0.828  17.070  36.388
   49   HD22  LEU   6          HD22      LEU   6  -1.425  15.570  37.134
   50   HD23  LEU   6          HD23      LEU   6  -2.565  16.849  36.659
   51    H    LYS   7           H        LYS   7   1.319  15.968  32.121
   52    HA   LYS   7           HA       LYS   7  -0.417  16.988  29.934
   53    HB2  LYS   7           HB2      LYS   7   1.250  18.731  31.810
   54    HB3  LYS   7           HB3      LYS   7   0.478  19.285  30.321
   55    HG2  LYS   7           HG2      LYS   7  -1.757  18.695  31.271
   56    HG3  LYS   7           HG3      LYS   7  -0.966  18.232  32.791
   57    HD2  LYS   7           HD2      LYS   7  -0.069  20.529  33.034
   58    HD3  LYS   7           HD3      LYS   7  -0.888  21.003  31.527
   59    HE2  LYS   7           HE2      LYS   7  -3.081  20.392  32.534
   60    HE3  LYS   7           HE3      LYS   7  -2.268  19.916  34.030
   61    HZ1  LYS   7           HZ1      LYS   7  -1.521  22.220  34.280
   62    HZ2  LYS   7           HZ2      LYS   7  -3.151  22.166  34.181
   63    HZ3  LYS   7           HZ3      LYS   7  -2.274  22.660  32.895
   64    H    SER   8           H        SER   8   0.703  17.556  28.050
   65    HA   SER   8           HA       SER   8   3.649  17.215  27.884
   66    HB2  SER   8           HB2      SER   8   1.648  15.520  26.335
   67    HB3  SER   8           HB3      SER   8   3.375  15.632  25.968
   68    HG   SER   8           HG       SER   8   2.795  13.788  27.262
   69    H    PHE   9           H        PHE   9   4.553  17.974  25.909
   70    HA   PHE   9           HA       PHE   9   2.973  19.969  24.399
   71    HB2  PHE   9           HB2      PHE   9   5.078  20.699  23.531
   72    HB3  PHE   9           HB3      PHE   9   5.234  20.533  25.263
   73    HD1  PHE   9           HD1      PHE   9   6.566  18.615  26.240
   74    HD2  PHE   9           HD2      PHE   9   6.424  19.390  21.998
   75    HE1  PHE   9           HE1      PHE   9   8.549  17.162  25.904
   76    HE2  PHE   9           HE2      PHE   9   8.415  17.947  21.671
   77    HZ   PHE   9           HZ       PHE   9   9.474  16.821  23.619
   78    H    ASP  10           H        ASP  10   3.555  19.958  21.934
   79    HA   ASP  10           HA       ASP  10   3.125  17.218  20.809
   80    HB2  ASP  10           HB2      ASP  10   1.326  18.762  20.372
   81    HB3  ASP  10           HB3      ASP  10   2.444  19.954  19.711
   82    HA   PRO  11           HA       PRO  11   7.470  17.823  19.431
   83    HB2  PRO  11           HB2      PRO  11   6.884  15.084  18.339
   84    HB3  PRO  11           HB3      PRO  11   8.344  15.670  19.192
   85    HG2  PRO  11           HG2      PRO  11   6.512  14.149  20.486
   86    HG3  PRO  11           HG3      PRO  11   7.222  15.581  21.303
   87    HD2  PRO  11           HD2      PRO  11   4.548  15.356  19.894
   88    HD3  PRO  11           HD3      PRO  11   4.943  16.093  21.477
   89    H    PHE  12           H        PHE  12   4.609  17.047  17.523
   90    HA   PHE  12           HA       PHE  12   6.062  17.384  14.965
   91    HB2  PHE  12           HB2      PHE  12   3.221  16.486  15.512
   92    HB3  PHE  12           HB3      PHE  12   4.093  16.358  13.993
   93    HD1  PHE  12           HD2      PHE  12   6.759  15.341  15.731
   94    HD2  PHE  12           HD1      PHE  12   2.647  14.110  15.242
   95    HE1  PHE  12           HE2      PHE  12   7.386  13.017  16.269
   96    HE2  PHE  12           HE1      PHE  12   3.288  11.780  15.800
   97    HZ   PHE  12           HZ       PHE  12   5.659  11.227  16.313
   98    H    ALA  13           H        ALA  13   4.941  19.608  16.952
   99    HA   ALA  13           HA       ALA  13   2.991  21.106  15.523
  100    HB1  ALA  13           HB1      ALA  13   3.497  21.363  17.928
  101    HB2  ALA  13           HB2      ALA  13   5.108  22.005  17.533
  102    HB3  ALA  13           HB3      ALA  13   3.651  22.912  17.080
  103    H    ASP  14           H        ASP  14   6.449  20.925  15.015
  104    HA   ASP  14           HA       ASP  14   6.327  22.373  12.533
  105    HB2  ASP  14           HB2      ASP  14   7.818  24.185  13.012
  106    HB3  ASP  14           HB3      ASP  14   6.444  24.313  14.086
  107    H    THR  15           H        THR  15   8.411  22.399  11.401
  108    HA   THR  15           HA       THR  15  10.471  20.477  12.343
  109    HB   THR  15           HB       THR  15  10.563  19.485  10.050
  110    HG1  THR  15           HG1      THR  15   8.755  19.785   8.720
  111   HG21  THR  15          HG21      THR  15   8.705  17.947  10.320
  112   HG22  THR  15          HG22      THR  15   7.861  19.070  11.406
  113   HG23  THR  15          HG23      THR  15   9.387  18.313  11.913
  114    H    GLY  16           H        GLY  16  12.483  20.676  11.339
  115    HA2  GLY  16           HA2      GLY  16  13.061  23.298   9.981
  116    HA3  GLY  16           HA3      GLY  16  14.092  22.554  11.218
  117    H    ASP  17           H        ASP  17  12.695  20.341   8.988
  118    HA   ASP  17           HA       ASP  17  14.931  20.158   7.133
  119    HB2  ASP  17           HB2      ASP  17  15.863  18.097   7.978
  120    HB3  ASP  17           HB3      ASP  17  15.968  19.319   9.226
  121    H    ASP  18           H        ASP  18  14.833  17.999   5.931
  122    HA   ASP  18           HA       ASP  18  12.105  16.873   5.639
  123    HB2  ASP  18           HB2      ASP  18  12.300  18.745   4.024
  124    HB3  ASP  18           HB3      ASP  18  13.773  18.027   3.367
  125    H    GLU  19           H        GLU  19  12.067  14.753   4.899
  126    HA   GLU  19           HA       GLU  19  14.660  13.312   5.144
  127    HB2  GLU  19           HB2      GLU  19  12.858  12.980   6.876
  128    HB3  GLU  19           HB3      GLU  19  11.830  12.307   5.615
  129    HG2  GLU  19           HG2      GLU  19  12.797  10.504   6.860
  130    HG3  GLU  19           HG3      GLU  19  13.524  10.480   5.263
  131    H    THR  20           H        THR  20  15.242  11.689   3.748
  132    HA   THR  20           HA       THR  20  13.599  11.106   1.335
  133    HB   THR  20           HB       THR  20  15.656  11.244  -0.059
  134    HG1  THR  20           HG1      THR  20  17.439  12.351   0.817
  135   HG21  THR  20          HG21      THR  20  14.057  13.161   0.029
  136   HG22  THR  20          HG22      THR  20  15.726  13.653  -0.304
  137   HG23  THR  20          HG23      THR  20  15.040  13.895   1.316
  138    H    ALA  21           H        ALA  21  14.487   9.227   0.109
  139    HA   ALA  21           HA       ALA  21  16.227   7.345   1.465
  140    HB1  ALA  21           HB1      ALA  21  13.275   6.629   1.157
  141    HB2  ALA  21           HB2      ALA  21  14.557   5.546   1.724
  142    HB3  ALA  21           HB3      ALA  21  14.099   6.948   2.702
  143    H    THR  22           H        THR  22  16.619   5.420   0.222
  144    HA   THR  22           HA       THR  22  16.574   5.773  -2.693
  145    HB   THR  22           HB       THR  22  17.925   3.614  -2.579
  146    HG1  THR  22           HG1      THR  22  18.647   3.049  -0.500
  147   HG21  THR  22          HG21      THR  22  19.000   5.852  -2.653
  148   HG22  THR  22          HG22      THR  22  19.933   4.685  -1.704
  149   HG23  THR  22          HG23      THR  22  18.965   5.924  -0.877
  150    H    SER  23           H        SER  23  16.254   3.536  -3.868
  151    HA   SER  23           HA       SER  23  13.455   2.989  -3.872
  152    HB2  SER  23           HB2      SER  23  15.700   1.566  -5.341
  153    HB3  SER  23           HB3      SER  23  13.975   1.547  -5.755
  154    HG   SER  23           HG       SER  23  15.165   3.079  -7.015
  155    H    ASN  24           H        ASN  24  13.772   2.303  -1.421
  156    HA   ASN  24           HA       ASN  24  14.467  -0.418  -0.801
  157    HB2  ASN  24           HB2      ASN  24  12.850   1.720   0.640
  158    HB3  ASN  24           HB3      ASN  24  13.182   0.134   1.335
  159   HD21  ASN  24          HD21      ASN  24  14.746   3.162   0.215
  160   HD22  ASN  24          HD22      ASN  24  16.268   2.844   1.010
  161    H    TYR  25           H        TYR  25  13.009  -2.078   0.025
  162    HA   TYR  25           HA       TYR  25  10.943  -2.710  -1.857
  163    HB2  TYR  25           HB2      TYR  25  11.763  -3.964   0.785
  164    HB3  TYR  25           HB3      TYR  25  10.488  -4.616  -0.229
  165    HD1  TYR  25           HD1      TYR  25  10.986  -5.376  -2.577
  166    HD2  TYR  25           HD2      TYR  25  14.072  -4.460   0.291
  167    HE1  TYR  25           HE1      TYR  25  12.635  -6.686  -3.924
  168    HE2  TYR  25           HE2      TYR  25  15.713  -5.768  -1.042
  169    HH   TYR  25           HH       TYR  25  16.057  -7.057  -2.921
  170    H    ILE  26           H        ILE  26   8.787  -2.613  -1.784
  171    HA   ILE  26           HA       ILE  26   7.391  -1.213   0.452
  172    HB   ILE  26           HB       ILE  26   6.282  -2.375  -2.142
  173   HG12  ILE  26          HG12      ILE  26   5.833   0.122  -2.649
  174   HG13  ILE  26          HG13      ILE  26   7.028   0.481  -1.426
  175   HG21  ILE  26          HG21      ILE  26   4.236  -1.110  -1.522
  176   HG22  ILE  26          HG22      ILE  26   4.630  -2.285  -0.274
  177   HG23  ILE  26          HG23      ILE  26   5.014  -0.574  -0.017
  178   HD11  ILE  26          HD11      ILE  26   8.768  -0.633  -2.807
  179   HD12  ILE  26          HD12      ILE  26   7.505  -1.145  -3.959
  180   HD13  ILE  26          HD13      ILE  26   7.900   0.573  -3.741
  181    H    HIS  27           H        HIS  27   7.088  -2.464   2.194
  182    HA   HIS  27           HA       HIS  27   6.580  -5.390   1.895
  183    HB2  HIS  27           HB2      HIS  27   7.112  -3.660   4.332
  184    HB3  HIS  27           HB3      HIS  27   6.869  -5.402   4.346
  185    HD2  HIS  27           HD2      HIS  27   9.550  -2.893   4.293
  186    HE1  HIS  27           HE1      HIS  27  11.392  -6.358   2.648
  187    HE2  HIS  27           HE2      HIS  27  11.818  -4.042   3.625
  188    H    ILE  28           H        ILE  28   4.525  -6.130   1.919
  189    HA   ILE  28           HA       ILE  28   2.404  -4.494   3.288
  190    HB   ILE  28           HB       ILE  28   1.863  -6.253   0.877
  191   HG12  ILE  28          HG12      ILE  28   2.223  -3.226   0.757
  192   HG13  ILE  28          HG13      ILE  28   3.455  -4.369   0.222
  193   HG21  ILE  28          HG21      ILE  28  -0.072  -5.761   2.298
  194   HG22  ILE  28          HG22      ILE  28   0.351  -4.041   2.372
  195   HG23  ILE  28          HG23      ILE  28  -0.220  -4.744   0.868
  196   HD11  ILE  28          HD11      ILE  28   0.698  -4.136  -1.007
  197   HD12  ILE  28          HD12      ILE  28   2.235  -3.600  -1.693
  198   HD13  ILE  28          HD13      ILE  28   1.935  -5.333  -1.441
  199    H    ARG  29           H        ARG  29   1.682  -5.447   5.011
  200    HA   ARG  29           HA       ARG  29   1.787  -8.436   5.313
  201    HB2  ARG  29           HB2      ARG  29   2.268  -6.554   7.624
  202    HB3  ARG  29           HB3      ARG  29   2.707  -8.245   7.456
  203    HG2  ARG  29           HG2      ARG  29   4.506  -7.583   5.846
  204    HG3  ARG  29           HG3      ARG  29   4.059  -5.883   6.067
  205    HD2  ARG  29           HD2      ARG  29   4.528  -6.079   8.494
  206    HD3  ARG  29           HD3      ARG  29   5.036  -7.754   8.267
  207    HE   ARG  29           HE       ARG  29   6.480  -5.289   7.499
  208   HH11  ARG  29          HH11      ARG  29   6.508  -8.823   7.202
  209   HH12  ARG  29          HH12      ARG  29   8.164  -8.831   6.678
  210   HH21  ARG  29          HH21      ARG  29   8.510  -5.362   6.892
  211   HH22  ARG  29          HH22      ARG  29   9.321  -6.868   6.505
  212    H    ILE  30           H        ILE  30   0.365  -9.208   7.139
  213    HA   ILE  30           HA       ILE  30  -2.015  -7.434   7.636
  214    HB   ILE  30           HB       ILE  30  -1.992 -10.469   7.788
  215   HG12  ILE  30          HG12      ILE  30  -3.211  -8.705   5.616
  216   HG13  ILE  30          HG13      ILE  30  -1.736  -9.658   5.416
  217   HG21  ILE  30          HG21      ILE  30  -4.221  -8.372   7.929
  218   HG22  ILE  30          HG22      ILE  30  -4.495 -10.116   7.912
  219   HG23  ILE  30          HG23      ILE  30  -3.656  -9.402   9.265
  220   HD11  ILE  30          HD11      ILE  30  -3.436 -10.980   4.451
  221   HD12  ILE  30          HD12      ILE  30  -3.074 -11.735   6.003
  222   HD13  ILE  30          HD13      ILE  30  -4.540 -10.736   5.803
  223    H    GLN  31           H        GLN  31  -2.620  -7.116   9.737
  224    HA   GLN  31           HA       GLN  31  -0.531  -7.641  11.747
  225    HB2  GLN  31           HB2      GLN  31  -3.070  -5.966  11.735
  226    HB3  GLN  31           HB3      GLN  31  -2.183  -6.288  13.217
  227    HG2  GLN  31           HG2      GLN  31  -0.063  -5.488  11.874
  228    HG3  GLN  31           HG3      GLN  31  -1.252  -4.770  10.783
  229   HE21  GLN  31          HE21      GLN  31  -0.569  -5.029  14.361
  230   HE22  GLN  31          HE22      GLN  31  -0.924  -3.330  14.670
  231    H    GLN  32           H        GLN  32  -1.085  -8.141  13.937
  232    HA   GLN  32           HA       GLN  32  -2.317 -10.782  14.155
  233    HB2  GLN  32           HB2      GLN  32  -1.422 -10.712  16.435
  234    HB3  GLN  32           HB3      GLN  32  -0.177 -10.382  15.245
  235    HG2  GLN  32           HG2      GLN  32  -1.581  -8.156  16.811
  236    HG3  GLN  32           HG3      GLN  32  -0.171  -9.005  17.409
  237   HE21  GLN  32          HE21      GLN  32   1.931  -8.626  16.410
  238   HE22  GLN  32          HE22      GLN  32   2.137  -7.272  15.308
  239    H    ARG  33           H        ARG  33  -3.947 -11.342  15.707
  240    HA   ARG  33           HA       ARG  33  -6.123  -9.424  15.907
  241    HB2  ARG  33           HB2      ARG  33  -5.768 -12.206  17.095
  242    HB3  ARG  33           HB3      ARG  33  -7.238 -11.229  17.222
  243    HG2  ARG  33           HG2      ARG  33  -7.394 -11.166  14.717
  244    HG3  ARG  33           HG3      ARG  33  -5.957 -12.193  14.622
  245    HD2  ARG  33           HD2      ARG  33  -7.858 -13.606  14.333
  246    HD3  ARG  33           HD3      ARG  33  -7.166 -13.956  15.927
  247    HE   ARG  33           HE       ARG  33  -9.252 -11.950  16.078
  248   HH11  ARG  33          HH11      ARG  33  -8.873 -15.453  15.748
  249   HH12  ARG  33          HH12      ARG  33 -10.432 -15.779  16.446
  250   HH21  ARG  33          HH21      ARG  33 -11.244 -12.441  16.981
  251   HH22  ARG  33          HH22      ARG  33 -11.754 -14.095  17.128
  252    H    ASN  34           H        ASN  34  -6.484  -8.017  17.426
  253    HA   ASN  34           HA       ASN  34  -5.185  -8.166  20.105
  254    HB2  ASN  34           HB2      ASN  34  -4.150  -5.998  19.789
  255    HB3  ASN  34           HB3      ASN  34  -3.634  -7.077  18.504
  256   HD21  ASN  34          HD21      ASN  34  -4.418  -6.669  16.281
  257   HD22  ASN  34          HD22      ASN  34  -5.133  -5.113  15.906
  258    H    GLY  35           H        GLY  35  -8.068  -8.096  18.927
  259    HA2  GLY  35           HA2      GLY  35 -10.075  -7.474  20.021
  260    HA3  GLY  35           HA3      GLY  35  -9.252  -6.104  20.805
  261    H    ARG  36           H        ARG  36  -8.032  -5.290  18.180
  262    HA   ARG  36           HA       ARG  36 -10.244  -3.786  16.967
  263    HB2  ARG  36           HB2      ARG  36  -7.295  -4.015  16.237
  264    HB3  ARG  36           HB3      ARG  36  -8.445  -2.909  15.481
  265    HG2  ARG  36           HG2      ARG  36  -8.816  -1.740  17.602
  266    HG3  ARG  36           HG3      ARG  36  -7.748  -2.869  18.452
  267    HD2  ARG  36           HD2      ARG  36  -5.853  -2.147  16.967
  268    HD3  ARG  36           HD3      ARG  36  -6.933  -0.976  16.210
  269    HE   ARG  36           HE       ARG  36  -6.753   0.409  18.044
  270   HH11  ARG  36          HH11      ARG  36  -5.439  -2.740  19.032
  271   HH12  ARG  36          HH12      ARG  36  -4.790  -2.088  20.511
  272   HH21  ARG  36          HH21      ARG  36  -5.897   1.157  19.968
  273   HH22  ARG  36          HH22      ARG  36  -5.052   0.076  21.031
  274    H    LYS  37           H        LYS  37 -10.521  -3.818  14.585
  275    HA   LYS  37           HA       LYS  37 -10.945  -6.460  13.454
  276    HB2  LYS  37           HB2      LYS  37 -11.011  -3.666  12.223
  277    HB3  LYS  37           HB3      LYS  37 -11.526  -5.139  11.398
  278    HG2  LYS  37           HG2      LYS  37 -13.242  -5.538  13.157
  279    HG3  LYS  37           HG3      LYS  37 -12.779  -4.017  13.943
  280    HD2  LYS  37           HD2      LYS  37 -13.378  -2.765  11.886
  281    HD3  LYS  37           HD3      LYS  37 -13.852  -4.288  11.101
  282    HE2  LYS  37           HE2      LYS  37 -15.547  -4.673  12.886
  283    HE3  LYS  37           HE3      LYS  37 -15.082  -3.152  13.659
  284    HZ1  LYS  37           HZ1      LYS  37 -17.038  -2.871  12.260
  285    HZ2  LYS  37           HZ2      LYS  37 -16.241  -3.393  10.936
  286    HZ3  LYS  37           HZ3      LYS  37 -15.809  -1.986  11.651
  287    H    THR  38           H        THR  38 -10.089  -7.001  11.214
  288    HA   THR  38           HA       THR  38  -7.247  -7.365  11.262
  289    HB   THR  38           HB       THR  38  -9.177  -7.678   8.923
  290    HG1  THR  38           HG1      THR  38  -9.329  -9.808   9.723
  291   HG21  THR  38          HG21      THR  38  -7.561  -9.437   8.196
  292   HG22  THR  38          HG22      THR  38  -6.474  -8.977   9.525
  293   HG23  THR  38          HG23      THR  38  -6.820  -7.836   8.204
  294    H    LEU  39           H        LEU  39  -5.611  -6.246  10.340
  295    HA   LEU  39           HA       LEU  39  -6.216  -3.916   8.573
  296    HB2  LEU  39           HB2      LEU  39  -4.280  -4.018  10.930
  297    HB3  LEU  39           HB3      LEU  39  -4.350  -2.710   9.759
  298    HG   LEU  39           HG       LEU  39  -6.639  -3.477  11.620
  299   HD11  LEU  39          HD11      LEU  39  -4.687  -2.583  12.842
  300   HD12  LEU  39          HD12      LEU  39  -6.046  -1.446  12.861
  301   HD13  LEU  39          HD13      LEU  39  -4.671  -1.164  11.774
  302   HD21  LEU  39          HD21      LEU  39  -6.272  -1.104   9.731
  303   HD22  LEU  39          HD22      LEU  39  -7.555  -1.245  10.955
  304   HD23  LEU  39          HD23      LEU  39  -7.492  -2.389   9.615
  305    H    THR  40           H        THR  40  -4.946  -3.639   6.902
  306    HA   THR  40           HA       THR  40  -2.603  -5.416   6.403
  307    HB   THR  40           HB       THR  40  -4.234  -3.602   4.584
  308    HG1  THR  40           HG1      THR  40  -5.046  -5.670   5.261
  309   HG21  THR  40          HG21      THR  40  -2.883  -4.602   2.743
  310   HG22  THR  40          HG22      THR  40  -1.816  -5.358   3.946
  311   HG23  THR  40          HG23      THR  40  -1.888  -3.586   3.791
  312    H    THR  41           H        THR  41  -0.640  -4.599   6.913
  313    HA   THR  41           HA       THR  41  -0.288  -1.654   7.266
  314    HB   THR  41           HB       THR  41   1.903  -2.379   8.356
  315    HG1  THR  41           HG1      THR  41   1.788  -4.543   7.691
  316   HG21  THR  41          HG21      THR  41   0.688  -2.808  10.498
  317   HG22  THR  41          HG22      THR  41  -0.828  -2.945   9.568
  318   HG23  THR  41          HG23      THR  41   0.068  -1.419   9.586
  319    H    VAL  42           H        VAL  42   0.640  -0.548   5.810
  320    HA   VAL  42           HA       VAL  42   2.450  -1.835   3.797
  321    HB   VAL  42           HB       VAL  42   1.307   0.962   3.647
  322   HG11  VAL  42          HG11      VAL  42   2.570  -0.857   1.549
  323   HG12  VAL  42          HG12      VAL  42   1.882   0.755   1.251
  324   HG13  VAL  42          HG13      VAL  42   3.318   0.585   2.267
  325   HG21  VAL  42          HG21      VAL  42  -0.599  -0.592   3.630
  326   HG22  VAL  42          HG22      VAL  42  -0.325   0.044   2.010
  327   HG23  VAL  42          HG23      VAL  42   0.220  -1.606   2.424
  328    H    GLN  43           H        GLN  43   4.543  -1.477   3.888
  329    HA   GLN  43           HA       GLN  43   5.750   0.618   5.652
  330    HB2  GLN  43           HB2      GLN  43   5.275  -1.414   6.949
  331    HB3  GLN  43           HB3      GLN  43   5.999  -2.420   5.722
  332    HG2  GLN  43           HG2      GLN  43   8.247  -1.443   6.257
  333    HG3  GLN  43           HG3      GLN  43   7.483  -0.456   7.518
  334   HE21  GLN  43          HE21      GLN  43   7.580  -1.417   9.570
  335   HE22  GLN  43          HE22      GLN  43   7.701  -3.163   9.811
  336    H    GLY  44           H        GLY  44   8.104   0.836   5.322
  337    HA2  GLY  44           HA2      GLY  44  10.114   0.751   4.237
  338    HA3  GLY  44           HA3      GLY  44   9.515  -0.661   3.345
  339    H    VAL  45           H        VAL  45   7.308   1.135   2.294
  340    HA   VAL  45           HA       VAL  45   8.115   1.750  -0.198
  341    HB   VAL  45           HB       VAL  45   5.816   1.852   0.477
  342   HG11  VAL  45          HG11      VAL  45   4.762   3.748   1.554
  343   HG12  VAL  45          HG12      VAL  45   6.019   3.102   2.616
  344   HG13  VAL  45          HG13      VAL  45   6.310   4.596   1.694
  345   HG21  VAL  45          HG21      VAL  45   6.412   2.920  -1.665
  346   HG22  VAL  45          HG22      VAL  45   5.019   3.707  -0.910
  347   HG23  VAL  45          HG23      VAL  45   6.611   4.482  -0.833
  348    HA   PRO  46           HA       PRO  46  11.206   4.958  -0.148
  349    HB2  PRO  46           HB2      PRO  46   9.968   5.596  -2.830
  350    HB3  PRO  46           HB3      PRO  46  11.680   5.520  -2.407
  351    HG2  PRO  46           HG2      PRO  46  10.544   3.420  -3.654
  352    HG3  PRO  46           HG3      PRO  46  11.584   3.105  -2.224
  353    HD2  PRO  46           HD2      PRO  46   8.563   3.260  -2.346
  354    HD3  PRO  46           HD3      PRO  46   9.602   2.041  -1.555
  355    H    GLU  47           H        GLU  47  11.384   7.083   0.383
  356    HA   GLU  47           HA       GLU  47   9.064   8.330   1.440
  357    HB2  GLU  47           HB2      GLU  47  11.946   9.229   1.066
  358    HB3  GLU  47           HB3      GLU  47  10.767  10.227   1.916
  359    HG2  GLU  47           HG2      GLU  47  11.525   7.396   2.743
  360    HG3  GLU  47           HG3      GLU  47  12.224   8.865   3.414
  361    H    GLU  48           H        GLU  48  10.303   8.602  -1.753
  362    HA   GLU  48           HA       GLU  48   9.336  11.277  -2.338
  363    HB2  GLU  48           HB2      GLU  48   9.744  10.755  -4.636
  364    HB3  GLU  48           HB3      GLU  48  11.099  10.192  -3.663
  365    HG2  GLU  48           HG2      GLU  48  10.200   7.860  -3.794
  366    HG3  GLU  48           HG3      GLU  48   8.875   8.439  -4.807
  367    H    TYR  49           H        TYR  49   7.725   8.240  -1.892
  368    HA   TYR  49           HA       TYR  49   5.293   9.082  -3.370
  369    HB2  TYR  49           HB2      TYR  49   5.950   6.506  -1.907
  370    HB3  TYR  49           HB3      TYR  49   4.508   6.825  -2.857
  371    HD1  TYR  49           HD2      TYR  49   4.900   7.557  -5.367
  372    HD2  TYR  49           HD1      TYR  49   7.832   5.495  -2.967
  373    HE1  TYR  49           HE2      TYR  49   6.053   6.783  -7.435
  374    HE2  TYR  49           HE1      TYR  49   8.971   4.714  -5.028
  375    HH   TYR  49           HH       TYR  49   9.001   4.742  -7.329
  376    H    ASP  50           H        ASP  50   3.981  10.415  -2.313
  377    HA   ASP  50           HA       ASP  50   4.014  10.864   0.516
  378    HB2  ASP  50           HB2      ASP  50   3.453  12.635  -1.016
  379    HB3  ASP  50           HB3      ASP  50   2.123  11.705  -1.701
  380    H    LEU  51           H        LEU  51   3.100   9.755   2.109
  381    HA   LEU  51           HA       LEU  51   1.420   7.479   1.693
  382    HB2  LEU  51           HB2      LEU  51   1.847   9.114   4.224
  383    HB3  LEU  51           HB3      LEU  51   1.244   7.460   4.142
  384    HG   LEU  51           HG       LEU  51   4.059   8.422   3.493
  385   HD11  LEU  51          HD11      LEU  51   2.951   6.654   5.716
  386   HD12  LEU  51          HD12      LEU  51   3.437   8.356   5.877
  387   HD13  LEU  51          HD13      LEU  51   4.653   7.120   5.495
  388   HD21  LEU  51          HD21      LEU  51   4.689   6.061   3.233
  389   HD22  LEU  51          HD22      LEU  51   3.518   6.525   1.996
  390   HD23  LEU  51          HD23      LEU  51   2.997   5.562   3.402
  391    H    LYS  52           H        LYS  52   0.614  10.832   2.525
  392    HA   LYS  52           HA       LYS  52  -2.177  10.440   3.039
  393    HB2  LYS  52           HB2      LYS  52  -0.820  12.917   1.920
  394    HB3  LYS  52           HB3      LYS  52  -2.393  12.842   2.708
  395    HG2  LYS  52           HG2      LYS  52  -1.298  12.091   4.817
  396    HG3  LYS  52           HG3      LYS  52   0.285  12.227   4.049
  397    HD2  LYS  52           HD2      LYS  52  -1.690  14.478   4.573
  398    HD3  LYS  52           HD3      LYS  52  -0.179  14.192   5.427
  399    HE2  LYS  52           HE2      LYS  52  -0.476  15.007   2.496
  400    HE3  LYS  52           HE3      LYS  52   0.008  16.053   3.831
  401    HZ1  LYS  52           HZ1      LYS  52   1.975  14.572   4.116
  402    HZ2  LYS  52           HZ2      LYS  52   1.952  15.344   2.676
  403    HZ3  LYS  52           HZ3      LYS  52   1.561  13.767   2.739
  404    H    ARG  53           H        ARG  53  -0.484  11.120  -0.063
  405    HA   ARG  53           HA       ARG  53  -2.767  11.057  -1.770
  406    HB2  ARG  53           HB2      ARG  53  -0.623  11.832  -2.510
  407    HB3  ARG  53           HB3      ARG  53   0.145  10.295  -2.242
  408    HG2  ARG  53           HG2      ARG  53  -2.066  10.651  -4.293
  409    HG3  ARG  53           HG3      ARG  53  -0.375  11.040  -4.627
  410    HD2  ARG  53           HD2      ARG  53   0.204   8.664  -3.849
  411    HD3  ARG  53           HD3      ARG  53  -1.520   8.328  -3.954
  412    HE   ARG  53           HE       ARG  53   0.396   8.537  -6.103
  413   HH11  ARG  53          HH11      ARG  53  -3.038   9.178  -5.554
  414   HH12  ARG  53          HH12      ARG  53  -3.440   8.894  -7.221
  415   HH21  ARG  53          HH21      ARG  53  -0.201   8.153  -8.219
  416   HH22  ARG  53          HH22      ARG  53  -1.859   8.331  -8.699
  417    H    ILE  54           H        ILE  54  -0.795   8.374  -0.450
  418    HA   ILE  54           HA       ILE  54  -2.168   6.239  -1.855
  419    HB   ILE  54           HB       ILE  54  -0.552   6.124   0.704
  420   HG12  ILE  54          HG12      ILE  54   0.231   5.573  -2.189
  421   HG13  ILE  54          HG13      ILE  54   0.685   7.004  -1.311
  422   HG21  ILE  54          HG21      ILE  54  -2.032   4.173   0.470
  423   HG22  ILE  54          HG22      ILE  54  -1.497   3.938  -1.208
  424   HG23  ILE  54          HG23      ILE  54  -0.379   3.690   0.151
  425   HD11  ILE  54          HD11      ILE  54   1.624   4.191  -0.709
  426   HD12  ILE  54          HD12      ILE  54   2.571   5.561  -1.300
  427   HD13  ILE  54          HD13      ILE  54   1.923   5.586   0.351
  428    H    LEU  55           H        LEU  55  -2.766   7.751   1.399
  429    HA   LEU  55           HA       LEU  55  -5.059   6.160   1.995
  430    HB2  LEU  55           HB2      LEU  55  -4.701   9.118   2.675
  431    HB3  LEU  55           HB3      LEU  55  -5.800   7.971   3.392
  432    HG   LEU  55           HG       LEU  55  -2.858   8.321   3.846
  433   HD11  LEU  55          HD11      LEU  55  -5.258   7.851   5.668
  434   HD12  LEU  55          HD12      LEU  55  -4.544   9.432   5.273
  435   HD13  LEU  55          HD13      LEU  55  -3.610   8.246   6.197
  436   HD21  LEU  55          HD21      LEU  55  -2.774   6.206   5.123
  437   HD22  LEU  55          HD22      LEU  55  -2.908   5.952   3.384
  438   HD23  LEU  55          HD23      LEU  55  -4.342   5.727   4.436
  439    H    LYS  56           H        LYS  56  -4.946   9.371   0.362
  440    HA   LYS  56           HA       LYS  56  -7.704   9.580  -0.167
  441    HB2  LYS  56           HB2      LYS  56  -5.261  10.650  -1.646
  442    HB3  LYS  56           HB3      LYS  56  -6.899  11.120  -2.075
  443    HG2  LYS  56           HG2      LYS  56  -5.727  11.542   0.710
  444    HG3  LYS  56           HG3      LYS  56  -5.669  12.736  -0.589
  445    HD2  LYS  56           HD2      LYS  56  -8.161  12.736  -0.693
  446    HD3  LYS  56           HD3      LYS  56  -8.204  11.597   0.671
  447    HE2  LYS  56           HE2      LYS  56  -6.980  13.228   2.082
  448    HE3  LYS  56           HE3      LYS  56  -6.911  14.360   0.726
  449    HZ1  LYS  56           HZ1      LYS  56  -9.340  14.461   0.764
  450    HZ2  LYS  56           HZ2      LYS  56  -8.740  14.889   2.220
  451    HZ3  LYS  56           HZ3      LYS  56  -9.410  13.413   2.020
  452    H    VAL  57           H        VAL  57  -5.230   8.196  -2.360
  453    HA   VAL  57           HA       VAL  57  -7.149   7.675  -4.428
  454    HB   VAL  57           HB       VAL  57  -4.716   7.963  -4.772
  455   HG11  VAL  57          HG11      VAL  57  -4.335   5.059  -4.087
  456   HG12  VAL  57          HG12      VAL  57  -3.137   6.363  -4.399
  457   HG13  VAL  57          HG13      VAL  57  -4.081   6.363  -2.921
  458   HG21  VAL  57          HG21      VAL  57  -5.832   5.420  -6.029
  459   HG22  VAL  57          HG22      VAL  57  -6.212   7.076  -6.554
  460   HG23  VAL  57          HG23      VAL  57  -4.555   6.468  -6.680
  461    H    LEU  58           H        LEU  58  -5.922   5.506  -1.809
  462    HA   LEU  58           HA       LEU  58  -7.384   3.199  -2.821
  463    HB2  LEU  58           HB2      LEU  58  -6.185   3.798  -0.092
  464    HB3  LEU  58           HB3      LEU  58  -6.814   2.231  -0.599
  465    HG   LEU  58           HG       LEU  58  -4.440   3.651  -1.903
  466   HD11  LEU  58          HD11      LEU  58  -4.022   2.830   0.426
  467   HD12  LEU  58          HD12      LEU  58  -3.065   1.976  -0.803
  468   HD13  LEU  58          HD13      LEU  58  -4.503   1.209  -0.112
  469   HD21  LEU  58          HD21      LEU  58  -5.457   2.269  -3.565
  470   HD22  LEU  58          HD22      LEU  58  -5.647   0.913  -2.422
  471   HD23  LEU  58          HD23      LEU  58  -4.033   1.421  -2.963
  472    H    LYS  59           H        LYS  59  -8.206   5.794  -0.499
  473    HA   LYS  59           HA       LYS  59 -10.796   4.674   0.189
  474    HB2  LYS  59           HB2      LYS  59  -9.655   7.497   0.289
  475    HB3  LYS  59           HB3      LYS  59 -11.259   7.056   0.897
  476    HG2  LYS  59           HG2      LYS  59 -10.279   5.429   2.444
  477    HG3  LYS  59           HG3      LYS  59  -8.659   5.783   1.872
  478    HD2  LYS  59           HD2      LYS  59  -9.035   8.219   2.566
  479    HD3  LYS  59           HD3      LYS  59 -10.531   7.667   3.357
  480    HE2  LYS  59           HE2      LYS  59  -9.114   5.991   4.639
  481    HE3  LYS  59           HE3      LYS  59  -7.677   6.727   3.933
  482    HZ1  LYS  59           HZ1      LYS  59  -8.329   8.821   5.037
  483    HZ2  LYS  59           HZ2      LYS  59  -8.139   7.606   6.128
  484    HZ3  LYS  59           HZ3      LYS  59  -9.641   8.091   5.696
  485    H    LYS  60           H        LYS  60  -9.709   6.737  -2.500
  486    HA   LYS  60           HA       LYS  60 -12.395   7.245  -3.489
  487    HB2  LYS  60           HB2      LYS  60 -10.488   8.789  -3.753
  488    HB3  LYS  60           HB3      LYS  60  -9.659   7.620  -4.786
  489    HG2  LYS  60           HG2      LYS  60 -11.499   7.780  -6.448
  490    HG3  LYS  60           HG3      LYS  60 -12.367   8.902  -5.381
  491    HD2  LYS  60           HD2      LYS  60 -10.487  10.516  -5.556
  492    HD3  LYS  60           HD3      LYS  60  -9.616   9.385  -6.617
  493    HE2  LYS  60           HE2      LYS  60 -11.490   9.480  -8.252
  494    HE3  LYS  60           HE3      LYS  60 -12.363  10.598  -7.195
  495    HZ1  LYS  60           HZ1      LYS  60 -11.170  11.780  -8.939
  496    HZ2  LYS  60           HZ2      LYS  60  -9.737  11.156  -8.467
  497    HZ3  LYS  60           HZ3      LYS  60 -10.544  12.190  -7.487
  498    H    ASP  61           H        ASP  61  -9.720   5.279  -4.894
  499    HA   ASP  61           HA       ASP  61 -11.484   4.317  -7.001
  500    HB2  ASP  61           HB2      ASP  61  -9.075   4.998  -7.279
  501    HB3  ASP  61           HB3      ASP  61  -8.604   3.555  -6.393
  502    H    PHE  62           H        PHE  62  -9.870   2.761  -4.197
  503    HA   PHE  62           HA       PHE  62 -11.038   0.126  -4.870
  504    HB2  PHE  62           HB2      PHE  62  -9.130   1.033  -2.678
  505    HB3  PHE  62           HB3      PHE  62  -9.718  -0.595  -2.876
  506    HD1  PHE  62           HD2      PHE  62  -7.801   2.071  -4.739
  507    HD2  PHE  62           HD1      PHE  62  -8.536  -2.138  -4.141
  508    HE1  PHE  62           HE2      PHE  62  -5.852   1.532  -6.142
  509    HE2  PHE  62           HE1      PHE  62  -6.555  -2.668  -5.530
  510    HZ   PHE  62           HZ       PHE  62  -5.214  -0.854  -6.546
  511    H    ALA  63           H        ALA  63 -11.941   2.836  -3.026
  512    HA   ALA  63           HA       ALA  63 -13.494   3.303  -1.452
  513    HB1  ALA  63           HB1      ALA  63 -15.533   2.012  -1.369
  514    HB2  ALA  63           HB2      ALA  63 -14.987   2.117  -3.050
  515    HB3  ALA  63           HB3      ALA  63 -14.752   0.614  -2.127
  516    H    CYS  64           H        CYS  64 -11.015   2.163  -0.584
  517    HA   CYS  64           HA       CYS  64 -11.582   0.388   1.708
  518    HB2  CYS  64           HB2      CYS  64  -9.054   1.696   0.580
  519    HB3  CYS  64           HB3      CYS  64  -9.060   0.668   2.018
  520    HG   CYS  64           HG       CYS  64 -10.187  -1.432   0.872
  521    H    ASN  65           H        ASN  65 -10.056   1.228   3.692
  522    HA   ASN  65           HA       ASN  65 -10.289   4.075   4.212
  523    HB2  ASN  65           HB2      ASN  65 -12.492   3.125   5.035
  524    HB3  ASN  65           HB3      ASN  65 -11.579   2.152   6.186
  525   HD21  ASN  65          HD21      ASN  65 -12.946   3.386   7.795
  526   HD22  ASN  65          HD22      ASN  65 -12.383   4.973   8.287
  527    H    GLY  66           H        GLY  66  -8.869   4.726   6.005
  528    HA2  GLY  66           HA2      GLY  66  -7.012   2.977   7.252
  529    HA3  GLY  66           HA3      GLY  66  -6.353   3.404   5.698
  530    H    ASN  67           H        ASN  67  -4.898   3.954   7.689
  531    HA   ASN  67           HA       ASN  67  -4.818   6.897   8.029
  532    HB2  ASN  67           HB2      ASN  67  -5.017   4.932  10.357
  533    HB3  ASN  67           HB3      ASN  67  -4.505   6.605  10.527
  534   HD21  ASN  67          HD21      ASN  67  -7.256   4.523  10.412
  535   HD22  ASN  67          HD22      ASN  67  -8.462   5.798  10.394
  536    H    ILE  68           H        ILE  68  -2.777   7.659   8.852
  537    HA   ILE  68           HA       ILE  68  -0.441   5.831   8.427
  538    HB   ILE  68           HB       ILE  68  -0.597   8.856   8.720
  539   HG12  ILE  68          HG12      ILE  68   0.273   7.351   6.227
  540   HG13  ILE  68          HG13      ILE  68  -1.424   7.691   6.498
  541   HG21  ILE  68          HG21      ILE  68   1.791   7.028   8.149
  542   HG22  ILE  68          HG22      ILE  68   1.826   8.800   8.044
  543   HG23  ILE  68          HG23      ILE  68   1.548   8.027   9.600
  544   HD11  ILE  68          HD11      ILE  68   0.750   9.801   6.291
  545   HD12  ILE  68          HD12      ILE  68  -0.517   9.427   5.105
  546   HD13  ILE  68          HD13      ILE  68  -0.959  10.117   6.675
  547    H    VAL  69           H        VAL  69   0.692   5.097  10.156
  548    HA   VAL  69           HA       VAL  69   0.473   6.459  12.814
  549    HB   VAL  69           HB       VAL  69   0.023   3.481  12.331
  550   HG11  VAL  69          HG11      VAL  69   1.316   3.752  14.398
  551   HG12  VAL  69          HG12      VAL  69   0.194   5.008  14.969
  552   HG13  VAL  69          HG13      VAL  69  -0.344   3.323  14.792
  553   HG21  VAL  69          HG21      VAL  69  -2.188   3.941  13.486
  554   HG22  VAL  69          HG22      VAL  69  -1.827   5.670  13.392
  555   HG23  VAL  69          HG23      VAL  69  -2.040   4.714  11.904
  556    H    LYS  70           H        LYS  70   2.346   6.369  14.009
  557    HA   LYS  70           HA       LYS  70   4.709   4.995  12.785
  558    HB2  LYS  70           HB2      LYS  70   4.763   7.492  12.993
  559    HB3  LYS  70           HB3      LYS  70   4.687   7.309  14.752
  560    HG2  LYS  70           HG2      LYS  70   6.811   6.023  14.713
  561    HG3  LYS  70           HG3      LYS  70   6.844   6.120  12.942
  562    HD2  LYS  70           HD2      LYS  70   6.959   8.607  13.089
  563    HD3  LYS  70           HD3      LYS  70   6.976   8.486  14.864
  564    HE2  LYS  70           HE2      LYS  70   9.062   7.123  14.736
  565    HE3  LYS  70           HE3      LYS  70   9.037   7.253  12.973
  566    HZ1  LYS  70           HZ1      LYS  70   9.306   9.541  14.845
  567    HZ2  LYS  70           HZ2      LYS  70   9.277   9.664  13.213
  568    HZ3  LYS  70           HZ3      LYS  70  10.515   8.900  13.956
  569    H    ASP  71           H        ASP  71   5.462   3.253  13.728
  570    HA   ASP  71           HA       ASP  71   4.785   2.649  16.566
  571    HB2  ASP  71           HB2      ASP  71   4.803   1.058  14.036
  572    HB3  ASP  71           HB3      ASP  71   5.345   0.220  15.476
  573    HA   PRO  72           HA       PRO  72   8.876   2.881  17.806
  574    HB2  PRO  72           HB2      PRO  72   8.654   0.197  19.179
  575    HB3  PRO  72           HB3      PRO  72   9.219   1.760  19.840
  576    HG2  PRO  72           HG2      PRO  72   6.725   0.874  20.390
  577    HG3  PRO  72           HG3      PRO  72   6.984   2.598  19.959
  578    HD2  PRO  72           HD2      PRO  72   6.013   0.343  18.185
  579    HD3  PRO  72           HD3      PRO  72   5.382   2.004  18.371
  580    H    GLU  73           H        GLU  73   8.245  -0.426  16.577
  581    HA   GLU  73           HA       GLU  73  11.070  -0.642  15.625
  582    HB2  GLU  73           HB2      GLU  73  10.906  -2.975  15.842
  583    HB3  GLU  73           HB3      GLU  73  10.350  -2.271  17.350
  584    HG2  GLU  73           HG2      GLU  73   8.564  -3.479  15.192
  585    HG3  GLU  73           HG3      GLU  73   9.075  -4.265  16.670
  586    H    MET  74           H        MET  74   7.661  -1.127  14.713
  587    HA   MET  74           HA       MET  74   8.228  -1.891  11.980
  588    HB2  MET  74           HB2      MET  74   5.708  -0.853  13.326
  589    HB3  MET  74           HB3      MET  74   5.764  -1.404  11.660
  590    HG2  MET  74           HG2      MET  74   6.678  -3.617  12.519
  591    HG3  MET  74           HG3      MET  74   6.313  -3.055  14.148
  592    HE1  MET  74           HE1      MET  74   2.409  -2.815  14.150
  593    HE2  MET  74           HE2      MET  74   3.920  -2.519  15.039
  594    HE3  MET  74           HE3      MET  74   3.465  -1.474  13.673
  595    H    GLY  75           H        GLY  75   8.177   1.247  13.472
  596    HA2  GLY  75           HA2      GLY  75   8.778   3.304  12.573
  597    HA3  GLY  75           HA3      GLY  75   8.906   2.557  10.968
  598    H    GLU  76           H        GLU  76   7.920   4.655  10.310
  599    HA   GLU  76           HA       GLU  76   5.122   5.090  10.813
  600    HB2  GLU  76           HB2      GLU  76   6.961   6.812  10.300
  601    HB3  GLU  76           HB3      GLU  76   6.782   6.327   8.602
  602    HG2  GLU  76           HG2      GLU  76   4.380   6.865   8.728
  603    HG3  GLU  76           HG3      GLU  76   4.543   7.228  10.450
  604    H    ILE  77           H        ILE  77   3.500   4.093   9.911
  605    HA   ILE  77           HA       ILE  77   3.718   2.699   7.285
  606    HB   ILE  77           HB       ILE  77   2.497   0.778   8.343
  607   HG12  ILE  77          HG12      ILE  77   3.280   2.053  11.002
  608   HG13  ILE  77          HG13      ILE  77   1.638   1.865  10.376
  609   HG21  ILE  77          HG21      ILE  77   4.963   0.818   7.859
  610   HG22  ILE  77          HG22      ILE  77   5.237   1.167   9.578
  611   HG23  ILE  77          HG23      ILE  77   4.441  -0.348   9.075
  612   HD11  ILE  77          HD11      ILE  77   2.080  -0.656  10.373
  613   HD12  ILE  77          HD12      ILE  77   3.544  -0.300  11.311
  614   HD13  ILE  77          HD13      ILE  77   1.951   0.131  11.958
  615    H    ILE  78           H        ILE  78   1.787   2.276   6.227
  616    HA   ILE  78           HA       ILE  78  -0.619   3.813   7.137
  617    HB   ILE  78           HB       ILE  78  -0.009   2.422   4.509
  618   HG12  ILE  78          HG12      ILE  78  -0.497   5.390   4.947
  619   HG13  ILE  78          HG13      ILE  78   1.123   4.695   5.030
  620   HG21  ILE  78          HG21      ILE  78  -2.533   3.847   5.443
  621   HG22  ILE  78          HG22      ILE  78  -2.206   3.437   3.746
  622   HG23  ILE  78          HG23      ILE  78  -2.376   2.157   4.926
  623   HD11  ILE  78          HD11      ILE  78   0.904   3.797   2.748
  624   HD12  ILE  78          HD12      ILE  78  -0.708   4.549   2.606
  625   HD13  ILE  78          HD13      ILE  78   0.722   5.561   2.794
  626    H    GLN  79           H        GLN  79  -2.262   2.761   8.047
  627    HA   GLN  79           HA       GLN  79  -2.434  -0.233   7.951
  628    HB2  GLN  79           HB2      GLN  79  -3.627   1.867   9.817
  629    HB3  GLN  79           HB3      GLN  79  -4.134   0.175   9.800
  630    HG2  GLN  79           HG2      GLN  79  -1.941  -0.584  10.474
  631    HG3  GLN  79           HG3      GLN  79  -1.260   1.042  10.353
  632   HE21  GLN  79          HE21      GLN  79  -1.739  -0.991  12.720
  633   HE22  GLN  79          HE22      GLN  79  -2.392   0.100  13.937
  634    H    LEU  80           H        LEU  80  -3.868  -0.935   6.456
  635    HA   LEU  80           HA       LEU  80  -6.180   0.781   5.672
  636    HB2  LEU  80           HB2      LEU  80  -4.250  -0.216   4.004
  637    HB3  LEU  80           HB3      LEU  80  -5.318  -1.616   4.064
  638    HG   LEU  80           HG       LEU  80  -7.208  -0.148   3.281
  639   HD11  LEU  80          HD11      LEU  80  -4.961   1.891   2.851
  640   HD12  LEU  80          HD12      LEU  80  -6.310   2.081   3.976
  641   HD13  LEU  80          HD13      LEU  80  -6.623   2.042   2.239
  642   HD21  LEU  80          HD21      LEU  80  -4.714  -0.258   1.518
  643   HD22  LEU  80          HD22      LEU  80  -6.374  -0.030   0.917
  644   HD23  LEU  80          HD23      LEU  80  -5.898  -1.540   1.694
  645    H    GLN  81           H        GLN  81  -8.248  -0.098   5.859
  646    HA   GLN  81           HA       GLN  81  -8.610  -2.218   7.796
  647    HB2  GLN  81           HB2      GLN  81 -10.504  -0.642   6.016
  648    HB3  GLN  81           HB3      GLN  81 -11.080  -1.914   7.087
  649    HG2  GLN  81           HG2      GLN  81  -9.445   0.465   8.060
  650    HG3  GLN  81           HG3      GLN  81 -11.208   0.438   8.013
  651   HE21  GLN  81          HE21      GLN  81 -10.196   0.950  10.460
  652   HE22  GLN  81          HE22      GLN  81 -10.316  -0.478  11.475
  653    H    GLY  82           H        GLY  82  -9.039  -4.294   7.609
  654    HA2  GLY  82           HA2      GLY  82  -9.695  -6.338   6.667
  655    HA3  GLY  82           HA3      GLY  82  -9.911  -5.563   5.097
  656    H    ASP  83           H        ASP  83  -8.938  -7.550   4.382
  657    HA   ASP  83           HA       ASP  83  -5.951  -7.692   4.462
  658    HB2  ASP  83           HB2      ASP  83  -6.953  -9.767   5.034
  659    HB3  ASP  83           HB3      ASP  83  -8.138  -9.650   3.733
  660    H    GLN  84           H        GLN  84  -5.317  -6.113   3.045
  661    HA   GLN  84           HA       GLN  84  -6.427  -6.127   0.269
  662    HB2  GLN  84           HB2      GLN  84  -5.266  -3.757   1.735
  663    HB3  GLN  84           HB3      GLN  84  -6.252  -3.750   0.273
  664    HG2  GLN  84           HG2      GLN  84  -7.156  -4.287   3.131
  665    HG3  GLN  84           HG3      GLN  84  -7.567  -2.909   2.138
  666   HE21  GLN  84          HE21      GLN  84  -9.581  -4.170   3.358
  667   HE22  GLN  84          HE22      GLN  84 -10.528  -5.128   2.211
  668    H    ARG  85           H        ARG  85  -3.953  -7.559   1.409
  669    HA   ARG  85           HA       ARG  85  -1.747  -6.048   0.645
  670    HB2  ARG  85           HB2      ARG  85  -0.433  -8.030   1.060
  671    HB3  ARG  85           HB3      ARG  85  -1.697  -7.841   2.271
  672    HG2  ARG  85           HG2      ARG  85  -3.094  -9.533   0.932
  673    HG3  ARG  85           HG3      ARG  85  -1.658  -9.800  -0.052
  674    HD2  ARG  85           HD2      ARG  85  -0.437 -10.249   2.204
  675    HD3  ARG  85           HD3      ARG  85  -2.042 -10.332   2.916
  676    HE   ARG  85           HE       ARG  85  -0.711 -12.312   1.253
  677   HH11  ARG  85          HH12      ARG  85  -3.993 -11.233   2.163
  678   HH12  ARG  85          HH11      ARG  85  -4.662 -12.785   1.812
  679   HH21  ARG  85          HH21      ARG  85  -1.682 -14.276   0.827
  680   HH22  ARG  85          HH22      ARG  85  -3.390 -14.473   1.066
  681    H    ALA  86           H        ALA  86  -3.433  -8.475  -1.342
  682    HA   ALA  86           HA       ALA  86  -1.682  -8.169  -3.647
  683    HB1  ALA  86           HB1      ALA  86  -4.548  -9.206  -3.407
  684    HB2  ALA  86           HB2      ALA  86  -3.470  -9.420  -4.800
  685    HB3  ALA  86           HB3      ALA  86  -3.066 -10.181  -3.251
  686    H    LYS  87           H        LYS  87  -4.693  -6.578  -2.578
  687    HA   LYS  87           HA       LYS  87  -5.166  -5.071  -4.977
  688    HB2  LYS  87           HB2      LYS  87  -5.989  -4.452  -2.098
  689    HB3  LYS  87           HB3      LYS  87  -6.646  -3.718  -3.547
  690    HG2  LYS  87           HG2      LYS  87  -7.311  -6.119  -4.280
  691    HG3  LYS  87           HG3      LYS  87  -6.949  -6.581  -2.605
  692    HD2  LYS  87           HD2      LYS  87  -8.555  -4.650  -1.922
  693    HD3  LYS  87           HD3      LYS  87  -9.009  -4.581  -3.620
  694    HE2  LYS  87           HE2      LYS  87 -10.657  -5.906  -2.543
  695    HE3  LYS  87           HE3      LYS  87  -9.675  -7.017  -3.504
  696    HZ1  LYS  87           HZ1      LYS  87 -10.155  -7.797  -1.203
  697    HZ2  LYS  87           HZ2      LYS  87  -9.298  -6.536  -0.593
  698    HZ3  LYS  87           HZ3      LYS  87  -8.549  -7.694  -1.476
  699    H    VAL  88           H        VAL  88  -3.464  -4.179  -1.951
  700    HA   VAL  88           HA       VAL  88  -2.616  -1.603  -2.929
  701    HB   VAL  88           HB       VAL  88  -1.501  -3.319  -0.689
  702   HG11  VAL  88          HG11      VAL  88  -0.868  -0.404  -1.368
  703   HG12  VAL  88          HG12      VAL  88  -0.387  -1.249   0.116
  704   HG13  VAL  88          HG13      VAL  88   0.284  -1.755  -1.423
  705   HG21  VAL  88          HG21      VAL  88  -3.279  -0.835  -0.698
  706   HG22  VAL  88          HG22      VAL  88  -3.830  -2.478  -0.353
  707   HG23  VAL  88          HG23      VAL  88  -2.697  -1.689   0.751
  708    H    CYS  89           H        CYS  89  -1.004  -4.856  -3.090
  709    HA   CYS  89           HA       CYS  89   1.399  -3.995  -4.327
  710    HB2  CYS  89           HB2      CYS  89   0.892  -6.292  -3.495
  711    HB3  CYS  89           HB3      CYS  89  -0.218  -6.539  -4.849
  712    HG   CYS  89           HG       CYS  89   1.565  -6.127  -6.761
  713    H    GLU  90           H        GLU  90  -1.703  -4.894  -5.921
  714    HA   GLU  90           HA       GLU  90  -0.946  -4.228  -8.551
  715    HB2  GLU  90           HB2      GLU  90  -2.954  -5.528  -7.825
  716    HB3  GLU  90           HB3      GLU  90  -3.724  -4.018  -7.314
  717    HG2  GLU  90           HG2      GLU  90  -3.636  -3.167  -9.614
  718    HG3  GLU  90           HG3      GLU  90  -2.721  -4.590 -10.129
  719    H    PHE  91           H        PHE  91  -2.278  -2.049  -5.980
  720    HA   PHE  91           HA       PHE  91  -2.578   0.276  -7.609
  721    HB2  PHE  91           HB2      PHE  91  -3.591   0.298  -5.456
  722    HB3  PHE  91           HB3      PHE  91  -2.130  -0.214  -4.649
  723    HD1  PHE  91           HD1      PHE  91  -3.522   2.635  -6.644
  724    HD2  PHE  91           HD2      PHE  91  -0.629   1.342  -3.725
  725    HE1  PHE  91           HE1      PHE  91  -2.760   4.977  -6.355
  726    HE2  PHE  91           HE2      PHE  91   0.096   3.688  -3.398
  727    HZ   PHE  91           HZ       PHE  91  -0.998   5.527  -4.709
  728    H    MET  92           H        MET  92   0.207  -0.849  -5.660
  729    HA   MET  92           HA       MET  92   1.944   1.361  -6.130
  730    HB2  MET  92           HB2      MET  92   2.502  -1.571  -5.569
  731    HB3  MET  92           HB3      MET  92   3.735  -0.320  -5.477
  732    HG2  MET  92           HG2      MET  92   1.181  -0.159  -3.856
  733    HG3  MET  92           HG3      MET  92   2.542  -1.121  -3.313
  734    HE1  MET  92           HE1      MET  92   2.128   2.026  -0.991
  735    HE2  MET  92           HE2      MET  92   0.803   1.483  -2.042
  736    HE3  MET  92           HE3      MET  92   1.804   0.290  -1.188
  737    H    ILE  93           H        ILE  93   1.550  -1.700  -7.942
  738    HA   ILE  93           HA       ILE  93   3.538  -1.072  -9.966
  739    HB   ILE  93           HB       ILE  93   1.192  -3.014 -10.047
  740   HG12  ILE  93          HG12      ILE  93   4.126  -3.636  -9.455
  741   HG13  ILE  93          HG13      ILE  93   2.935  -3.366  -8.198
  742   HG21  ILE  93          HG21      ILE  93   2.079  -2.523 -12.326
  743   HG22  ILE  93          HG22      ILE  93   3.720  -2.923 -11.764
  744   HG23  ILE  93          HG23      ILE  93   2.464  -4.168 -11.841
  745   HD11  ILE  93          HD11      ILE  93   1.551  -5.247  -9.094
  746   HD12  ILE  93          HD12      ILE  93   2.891  -5.636 -10.201
  747   HD13  ILE  93          HD13      ILE  93   3.133  -5.712  -8.450
  748    H    SER  94           H        SER  94  -0.030  -0.737  -9.930
  749    HA   SER  94           HA       SER  94  -0.180   0.166 -12.656
  750    HB2  SER  94           HB2      SER  94  -1.982  -1.022 -11.553
  751    HB3  SER  94           HB3      SER  94  -2.152   0.260 -10.342
  752    HG   SER  94           HG       SER  94  -3.662   0.242 -12.231
  753    H    GLN  95           H        GLN  95  -0.448   2.026  -9.574
  754    HA   GLN  95           HA       GLN  95  -0.876   4.512 -11.168
  755    HB2  GLN  95           HB2      GLN  95  -1.332   3.865  -8.238
  756    HB3  GLN  95           HB3      GLN  95  -1.749   5.387  -9.020
  757    HG2  GLN  95           HG2      GLN  95  -2.979   2.660  -9.643
  758    HG3  GLN  95           HG3      GLN  95  -3.735   3.971  -8.751
  759   HE21  GLN  95          HE21      GLN  95  -3.196   2.677 -11.962
  760   HE22  GLN  95          HE22      GLN  95  -3.919   4.038 -12.804
  761    H    LEU  96           H        LEU  96   1.470   3.194  -8.804
  762    HA   LEU  96           HA       LEU  96   2.889   5.816  -8.785
  763    HB2  LEU  96           HB2      LEU  96   3.726   3.244  -7.409
  764    HB3  LEU  96           HB3      LEU  96   4.335   4.858  -7.143
  765    HG   LEU  96           HG       LEU  96   1.557   3.865  -6.389
  766   HD11  LEU  96          HD11      LEU  96   2.337   4.221  -4.100
  767   HD12  LEU  96          HD12      LEU  96   3.897   4.835  -4.691
  768   HD13  LEU  96          HD13      LEU  96   3.447   3.144  -4.962
  769   HD21  LEU  96          HD21      LEU  96   1.286   6.108  -5.288
  770   HD22  LEU  96          HD22      LEU  96   1.307   6.204  -7.053
  771   HD23  LEU  96          HD23      LEU  96   2.751   6.664  -6.122
  772    H    GLY  97           H        GLY  97   2.907   2.888 -10.580
  773    HA2  GLY  97           HA2      GLY  97   4.148   2.331 -12.455
  774    HA3  GLY  97           HA3      GLY  97   5.151   3.786 -12.222
  775    H    LEU  98           H        LEU  98   4.829   1.581  -9.514
  776    HA   LEU  98           HA       LEU  98   7.679   1.034  -9.507
  777    HB2  LEU  98           HB2      LEU  98   5.353   0.072  -7.816
  778    HB3  LEU  98           HB3      LEU  98   6.986  -0.496  -7.551
  779    HG   LEU  98           HG       LEU  98   6.418   2.495  -7.589
  780   HD11  LEU  98          HD11      LEU  98   4.859   1.625  -5.977
  781   HD12  LEU  98          HD12      LEU  98   6.210   2.359  -5.099
  782   HD13  LEU  98          HD13      LEU  98   6.092   0.586  -5.247
  783   HD21  LEU  98          HD21      LEU  98   8.547   0.768  -6.230
  784   HD22  LEU  98          HD22      LEU  98   8.420   2.534  -6.120
  785   HD23  LEU  98          HD23      LEU  98   8.788   1.774  -7.675
  786    H    GLN  99           H        GLN  99   8.631  -1.135  -9.533
  787    HA   GLN  99           HA       GLN  99   7.394  -2.905 -11.583
  788    HB2  GLN  99           HB2      GLN  99  10.090  -3.094 -10.167
  789    HB3  GLN  99           HB3      GLN  99   9.511  -4.135 -11.473
  790    HG2  GLN  99           HG2      GLN  99   9.391  -2.171 -12.996
  791    HG3  GLN  99           HG3      GLN  99  10.013  -1.131 -11.712
  792   HE21  GLN  99          HE21      GLN  99  11.483  -0.983 -13.929
  793   HE22  GLN  99          HE22      GLN  99  12.955  -1.932 -13.778
  794    H    LYS 100           H        LYS 100   6.823  -5.085 -11.118
  795    HA   LYS 100           HA       LYS 100   5.558  -5.586  -8.668
  796    HB2  LYS 100           HB2      LYS 100   5.185  -6.672 -10.876
  797    HB3  LYS 100           HB3      LYS 100   6.649  -7.622 -10.669
  798    HG2  LYS 100           HG2      LYS 100   4.356  -7.723  -8.656
  799    HG3  LYS 100           HG3      LYS 100   4.322  -8.642 -10.158
  800    HD2  LYS 100           HD2      LYS 100   6.484  -9.755  -9.489
  801    HD3  LYS 100           HD3      LYS 100   6.384  -8.929  -7.936
  802    HE2  LYS 100           HE2      LYS 100   5.521 -11.096  -7.564
  803    HE3  LYS 100           HE3      LYS 100   4.151  -9.986  -7.525
  804    HZ1  LYS 100           HZ1      LYS 100   3.619 -10.685  -9.804
  805    HZ2  LYS 100           HZ2      LYS 100   3.674 -11.986  -8.823
  806    HZ3  LYS 100           HZ3      LYS 100   4.912 -11.689  -9.844
  807    H    LYS 101           H        LYS 101   8.853  -6.481  -9.656
  808    HA   LYS 101           HA       LYS 101   9.575  -7.959  -7.324
  809    HB2  LYS 101           HB2      LYS 101  11.814  -7.852  -8.160
  810    HB3  LYS 101           HB3      LYS 101  10.696  -8.147  -9.491
  811    HG2  LYS 101           HG2      LYS 101  10.827  -5.707 -10.098
  812    HG3  LYS 101           HG3      LYS 101  12.031  -5.474  -8.824
  813    HD2  LYS 101           HD2      LYS 101  12.312  -7.361 -11.203
  814    HD3  LYS 101           HD3      LYS 101  13.011  -5.740 -11.096
  815    HE2  LYS 101           HE2      LYS 101  14.329  -6.440  -9.096
  816    HE3  LYS 101           HE3      LYS 101  13.672  -8.076  -9.248
  817    HZ1  LYS 101           HZ1      LYS 101  15.844  -7.899 -10.299
  818    HZ2  LYS 101           HZ2      LYS 101  15.328  -6.713 -11.299
  819    HZ3  LYS 101           HZ3      LYS 101  14.720  -8.226 -11.437
  820    H    ASN 102           H        ASN 102   9.153  -4.523  -7.527
  821    HA   ASN 102           HA       ASN 102  10.991  -3.895  -5.319
  822    HB2  ASN 102           HB2      ASN 102   8.650  -2.280  -6.417
  823    HB3  ASN 102           HB3      ASN 102   9.908  -1.704  -5.330
  824   HD21  ASN 102          HD21      ASN 102  12.257  -2.781  -6.632
  825   HD22  ASN 102          HD22      ASN 102  12.388  -1.930  -8.158
  826    H    ILE 103           H        ILE 103   8.010  -5.556  -5.424
  827    HA   ILE 103           HA       ILE 103   7.139  -4.544  -2.740
  828    HB   ILE 103           HB       ILE 103   5.495  -5.833  -4.944
  829   HG12  ILE 103          HG12      ILE 103   5.384  -2.882  -4.172
  830   HG13  ILE 103          HG13      ILE 103   6.437  -3.444  -5.466
  831   HG21  ILE 103          HG21      ILE 103   3.562  -4.978  -3.567
  832   HG22  ILE 103          HG22      ILE 103   4.515  -6.186  -2.722
  833   HG23  ILE 103          HG23      ILE 103   4.710  -4.465  -2.324
  834   HD11  ILE 103          HD11      ILE 103   4.438  -2.686  -6.464
  835   HD12  ILE 103          HD12      ILE 103   4.508  -4.449  -6.633
  836   HD13  ILE 103          HD13      ILE 103   3.434  -3.714  -5.421
  837    H    LYS 104           H        LYS 104   6.835  -5.881  -1.121
  838    HA   LYS 104           HA       LYS 104   7.168  -8.844  -1.474
  839    HB2  LYS 104           HB2      LYS 104   7.931  -7.044   0.861
  840    HB3  LYS 104           HB3      LYS 104   8.043  -8.804   0.850
  841    HG2  LYS 104           HG2      LYS 104   9.656  -6.925  -0.924
  842    HG3  LYS 104           HG3      LYS 104  10.209  -7.699   0.561
  843    HD2  LYS 104           HD2      LYS 104   9.727  -9.953  -0.534
  844    HD3  LYS 104           HD3      LYS 104   9.476  -9.066  -2.058
  845    HE2  LYS 104           HE2      LYS 104  11.761  -8.079  -1.818
  846    HE3  LYS 104           HE3      LYS 104  11.992  -8.997  -0.325
  847    HZ1  LYS 104           HZ1      LYS 104  11.561 -10.195  -3.010
  848    HZ2  LYS 104           HZ2      LYS 104  11.780 -11.043  -1.627
  849    HZ3  LYS 104           HZ3      LYS 104  12.992 -10.125  -2.224
  850    H    ILE 105           H        ILE 105   5.240  -9.793  -1.256
  851    HA   ILE 105           HA       ILE 105   3.190  -8.743   0.666
  852    HB   ILE 105           HB       ILE 105   3.016 -10.944  -1.441
  853   HG12  ILE 105          HG12      ILE 105   1.775  -8.146  -1.345
  854   HG13  ILE 105          HG13      ILE 105   3.087  -8.656  -2.408
  855   HG21  ILE 105          HG21      ILE 105   0.899  -9.809   0.429
  856   HG22  ILE 105          HG22      ILE 105   0.605 -11.026  -0.835
  857   HG23  ILE 105          HG23      ILE 105   1.601 -11.436   0.546
  858   HD11  ILE 105          HD11      ILE 105   1.108  -8.684  -3.724
  859   HD12  ILE 105          HD12      ILE 105   1.519 -10.377  -3.413
  860   HD13  ILE 105          HD13      ILE 105   0.197  -9.588  -2.512
  861    H    HIS 106           H        HIS 106   3.352  -9.445   2.676
  862    HA   HIS 106           HA       HIS 106   4.819 -11.982   3.263
  863    HB2  HIS 106           HB2      HIS 106   4.038  -9.607   4.979
  864    HB3  HIS 106           HB3      HIS 106   4.958 -11.003   5.534
  865    HD2  HIS 106           HD2      HIS 106   5.379  -7.730   3.657
  866    HE1  HIS 106           HE1      HIS 106   9.206  -9.593   3.624
  867    HE2  HIS 106           HE2      HIS 106   7.953  -7.431   3.167
  868    H    GLY 107           H        GLY 107   1.617 -10.536   3.710
  869    HA2  GLY 107           HA2      GLY 107  -0.415 -11.507   4.423
  870    HA3  GLY 107           HA3      GLY 107   0.406 -13.073   4.543
  871    H    PHE 108           H        PHE 108  -0.553 -13.541   6.518
  872    HA   PHE 108           HA       PHE 108  -0.322 -11.926   8.924
  873    HB2  PHE 108           HB2      PHE 108  -0.835 -14.902   8.544
  874    HB3  PHE 108           HB3      PHE 108  -0.985 -14.030  10.055
  875    HD1  PHE 108           HD2      PHE 108  -2.781 -12.292  10.366
  876    HD2  PHE 108           HD1      PHE 108  -2.635 -14.880   6.916
  877    HE1  PHE 108           HE2      PHE 108  -5.180 -11.839   9.920
  878    HE2  PHE 108           HE1      PHE 108  -5.028 -14.403   6.459
  879    HZ   PHE 108           HZ       PHE 108  -6.305 -12.884   7.962
  Start of MODEL   20
    1    H1   MET   1           H        MET   1  -4.160  51.075  -4.092
    2    H2   MET   1           H2       MET   1  -4.394  49.506  -3.774
    3    H3   MET   1           H3       MET   1  -5.646  50.550  -3.668
    4    HA   MET   1           HA       MET   1  -5.768  49.190  -5.727
    5    HB2  MET   1           HB2      MET   1  -5.407  52.189  -6.114
    6    HB3  MET   1           HB3      MET   1  -6.073  51.086  -7.317
    7    HG2  MET   1           HG2      MET   1  -7.924  52.075  -6.290
    8    HG3  MET   1           HG3      MET   1  -7.867  50.424  -5.695
    9    HE1  MET   1           HE1      MET   1  -9.538  52.408  -2.783
   10    HE2  MET   1           HE2      MET   1  -9.717  52.688  -4.527
   11    HE3  MET   1           HE3      MET   1  -9.659  51.028  -3.893
   12    H    SER   2           H        SER   2  -4.978  48.869  -7.931
   13    HA   SER   2           HA       SER   2  -2.291  49.622  -8.724
   14    HB2  SER   2           HB2      SER   2  -1.375  47.313  -8.712
   15    HB3  SER   2           HB3      SER   2  -1.632  47.965  -7.092
   16    HG   SER   2           HG       SER   2  -2.378  45.790  -7.283
   17    H    ILE   3           H        ILE   3  -1.662  48.514 -10.801
   18    HA   ILE   3           HA       ILE   3  -4.032  48.350 -12.554
   19    HB   ILE   3           HB       ILE   3  -2.587  48.616 -14.397
   20   HG12  ILE   3          HG12      ILE   3  -0.653  47.281 -13.906
   21   HG13  ILE   3          HG13      ILE   3  -0.199  48.904 -14.367
   22   HG21  ILE   3          HG21      ILE   3  -1.761  50.590 -12.238
   23   HG22  ILE   3          HG22      ILE   3  -1.687  50.835 -13.992
   24   HG23  ILE   3          HG23      ILE   3  -3.254  50.629 -13.193
   25   HD11  ILE   3          HD11      ILE   3   0.253  49.444 -11.951
   26   HD12  ILE   3          HD12      ILE   3  -0.087  47.735 -11.560
   27   HD13  ILE   3          HD13      ILE   3   1.262  48.152 -12.617
   28    H    GLU   4           H        GLU   4  -4.425  46.711 -14.070
   29    HA   GLU   4           HA       GLU   4  -3.817  43.994 -13.259
   30    HB2  GLU   4           HB2      GLU   4  -5.039  45.114 -15.814
   31    HB3  GLU   4           HB3      GLU   4  -4.887  43.392 -15.433
   32    HG2  GLU   4           HG2      GLU   4  -6.267  43.718 -13.389
   33    HG3  GLU   4           HG3      GLU   4  -6.474  45.423 -13.802
   34    H    ASN   5           H        ASN   5  -2.335  42.568 -14.076
   35    HA   ASN   5           HA       ASN   5  -0.428  43.303 -16.171
   36    HB2  ASN   5           HB2      ASN   5   1.510  43.403 -14.715
   37    HB3  ASN   5           HB3      ASN   5   0.354  44.640 -14.245
   38   HD21  ASN   5          HD21      ASN   5  -0.846  44.360 -12.177
   39   HD22  ASN   5          HD22      ASN   5  -0.223  43.224 -10.993
   40    H    LEU   6           H        LEU   6   1.113  41.660 -16.660
   41    HA   LEU   6           HA       LEU   6   0.069  38.919 -16.187
   42    HB2  LEU   6           HB2      LEU   6   2.111  39.991 -18.181
   43    HB3  LEU   6           HB3      LEU   6   1.500  38.343 -18.132
   44    HG   LEU   6           HG       LEU   6  -0.155  40.828 -18.763
   45   HD11  LEU   6          HD11      LEU   6   0.806  38.545 -20.540
   46   HD12  LEU   6          HD12      LEU   6   1.444  40.204 -20.537
   47   HD13  LEU   6          HD13      LEU   6  -0.227  39.902 -21.040
   48   HD21  LEU   6          HD21      LEU   6  -1.595  39.156 -17.682
   49   HD22  LEU   6          HD22      LEU   6  -0.954  37.880 -18.744
   50   HD23  LEU   6          HD23      LEU   6  -1.934  39.202 -19.414
   51    H    LYS   7           H        LYS   7   1.584  37.137 -15.978
   52    HA   LYS   7           HA       LYS   7   3.355  37.422 -13.747
   53    HB2  LYS   7           HB2      LYS   7   2.098  35.382 -14.184
   54    HB3  LYS   7           HB3      LYS   7   2.901  35.168 -15.749
   55    HG2  LYS   7           HG2      LYS   7   5.048  34.860 -14.644
   56    HG3  LYS   7           HG3      LYS   7   4.318  35.121 -13.047
   57    HD2  LYS   7           HD2      LYS   7   2.968  33.068 -13.368
   58    HD3  LYS   7           HD3      LYS   7   3.675  32.836 -14.973
   59    HE2  LYS   7           HE2      LYS   7   5.192  32.863 -12.317
   60    HE3  LYS   7           HE3      LYS   7   4.770  31.421 -13.243
   61    HZ1  LYS   7           HZ1      LYS   7   7.047  32.071 -13.677
   62    HZ2  LYS   7           HZ2      LYS   7   6.614  33.570 -14.165
   63    HZ3  LYS   7           HZ3      LYS   7   6.182  32.265 -15.053
   64    H    SER   8           H        SER   8   5.568  37.445 -13.554
   65    HA   SER   8           HA       SER   8   7.228  38.198 -15.864
   66    HB2  SER   8           HB2      SER   8   7.962  37.740 -12.950
   67    HB3  SER   8           HB3      SER   8   9.006  38.441 -14.199
   68    HG   SER   8           HG       SER   8   7.968  40.061 -12.912
   69    H    PHE   9           H        PHE   9   9.019  37.083 -16.641
   70    HA   PHE   9           HA       PHE   9   9.522  34.281 -15.792
   71    HB2  PHE   9           HB2      PHE   9   8.930  35.231 -18.628
   72    HB3  PHE   9           HB3      PHE   9   9.679  33.693 -18.253
   73    HD1  PHE   9           HD2      PHE   9   6.516  35.626 -18.055
   74    HD2  PHE   9           HD1      PHE   9   8.414  31.811 -17.394
   75    HE1  PHE   9           HE2      PHE   9   4.290  34.554 -17.854
   76    HE2  PHE   9           HE1      PHE   9   6.182  30.733 -17.222
   77    HZ   PHE   9           HZ       PHE   9   4.116  32.104 -17.448
   78    H    ASP  10           H        ASP  10  11.605  33.488 -16.462
   79    HA   ASP  10           HA       ASP  10  13.702  35.434 -16.233
   80    HB2  ASP  10           HB2      ASP  10  13.785  32.468 -16.890
   81    HB3  ASP  10           HB3      ASP  10  15.203  33.466 -16.574
   82    HA   PRO  11           HA       PRO  11  14.575  36.388 -20.546
   83    HB2  PRO  11           HB2      PRO  11  17.461  36.266 -19.666
   84    HB3  PRO  11           HB3      PRO  11  16.630  37.524 -20.633
   85    HG2  PRO  11           HG2      PRO  11  17.149  37.937 -18.011
   86    HG3  PRO  11           HG3      PRO  11  15.544  38.389 -18.680
   87    HD2  PRO  11           HD2      PRO  11  16.298  35.891 -17.134
   88    HD3  PRO  11           HD3      PRO  11  14.884  36.974 -16.939
   89    H    PHE  12           H        PHE  12  16.275  33.712 -18.938
   90    HA   PHE  12           HA       PHE  12  15.924  31.845 -21.017
   91    HB2  PHE  12           HB2      PHE  12  18.301  31.410 -21.557
   92    HB3  PHE  12           HB3      PHE  12  17.742  32.940 -22.179
   93    HD1  PHE  12           HD2      PHE  12  19.873  31.330 -19.582
   94    HD2  PHE  12           HD1      PHE  12  18.722  35.039 -21.456
   95    HE1  PHE  12           HE2      PHE  12  21.781  32.479 -18.486
   96    HE2  PHE  12           HE1      PHE  12  20.630  36.186 -20.357
   97    HZ   PHE  12           HZ       PHE  12  22.161  34.907 -18.867
   98    H    ALA  13           H        ALA  13  16.658  29.783 -20.388
   99    HA   ALA  13           HA       ALA  13  17.900  29.237 -17.816
  100    HB1  ALA  13           HB1      ALA  13  15.595  29.772 -17.075
  101    HB2  ALA  13           HB2      ALA  13  14.942  28.584 -18.226
  102    HB3  ALA  13           HB3      ALA  13  15.940  28.048 -16.858
  103    H    ASP  14           H        ASP  14  18.260  26.957 -17.460
  104    HA   ASP  14           HA       ASP  14  18.736  25.445 -19.932
  105    HB2  ASP  14           HB2      ASP  14  19.331  24.847 -17.007
  106    HB3  ASP  14           HB3      ASP  14  19.786  23.808 -18.354
  107    H    THR  15           H        THR  15  18.025  23.325 -20.343
  108    HA   THR  15           HA       THR  15  15.273  22.759 -19.900
  109    HB   THR  15           HB       THR  15  17.451  20.835 -20.810
  110    HG1  THR  15           HG1      THR  15  16.971  21.667 -22.870
  111   HG21  THR  15          HG21      THR  15  14.455  20.980 -21.408
  112   HG22  THR  15          HG22      THR  15  15.285  19.716 -20.472
  113   HG23  THR  15          HG23      THR  15  15.608  19.880 -22.200
  114    H    GLY  16           H        GLY  16  18.179  21.538 -18.273
  115    HA2  GLY  16           HA2      GLY  16  18.381  20.618 -16.135
  116    HA3  GLY  16           HA3      GLY  16  16.616  20.554 -15.982
  117    H    ASP  17           H        ASP  17  17.767  18.527 -14.954
  118    HA   ASP  17           HA       ASP  17  17.003  16.194 -16.494
  119    HB2  ASP  17           HB2      ASP  17  19.310  16.638 -17.382
  120    HB3  ASP  17           HB3      ASP  17  19.937  16.540 -15.740
  121    H    ASP  18           H        ASP  18  16.956  14.262 -15.165
  122    HA   ASP  18           HA       ASP  18  16.233  14.720 -12.426
  123    HB2  ASP  18           HB2      ASP  18  16.772  12.156 -13.980
  124    HB3  ASP  18           HB3      ASP  18  16.062  12.222 -12.371
  125    H    GLU  19           H        GLU  19  19.290  13.876 -13.877
  126    HA   GLU  19           HA       GLU  19  21.379  13.870 -13.140
  127    HB2  GLU  19           HB2      GLU  19  20.537  15.718 -11.639
  128    HB3  GLU  19           HB3      GLU  19  20.417  14.529 -10.331
  129    HG2  GLU  19           HG2      GLU  19  22.832  14.078 -10.495
  130    HG3  GLU  19           HG3      GLU  19  22.964  15.177 -11.872
  131    H    THR  20           H        THR  20  19.189  12.022 -11.056
  132    HA   THR  20           HA       THR  20  20.834   9.629 -11.085
  133    HB   THR  20           HB       THR  20  22.003  11.074  -9.410
  134    HG1  THR  20           HG1      THR  20  22.198   9.376  -7.976
  135   HG21  THR  20          HG21      THR  20  19.517  10.633  -7.692
  136   HG22  THR  20          HG22      THR  20  20.012  12.188  -8.397
  137   HG23  THR  20          HG23      THR  20  21.042  11.394  -7.198
  138    H    ALA  21           H        ALA  21  19.851   8.100  -9.268
  139    HA   ALA  21           HA       ALA  21  16.963   8.234  -8.931
  140    HB1  ALA  21           HB1      ALA  21  17.094   7.546 -11.312
  141    HB2  ALA  21           HB2      ALA  21  18.143   6.182 -10.866
  142    HB3  ALA  21           HB3      ALA  21  16.456   6.232 -10.311
  143    H    THR  22           H        THR  22  16.116   6.282  -7.835
  144    HA   THR  22           HA       THR  22  17.852   4.397  -6.509
  145    HB   THR  22           HB       THR  22  18.408   6.514  -5.291
  146    HG1  THR  22           HG1      THR  22  18.301   5.475  -3.317
  147   HG21  THR  22          HG21      THR  22  16.847   7.416  -3.656
  148   HG22  THR  22          HG22      THR  22  15.575   6.291  -4.171
  149   HG23  THR  22          HG23      THR  22  16.143   7.566  -5.273
  150    H    SER  23           H        SER  23  16.503   3.443  -4.554
  151    HA   SER  23           HA       SER  23  13.657   3.217  -4.832
  152    HB2  SER  23           HB2      SER  23  13.512   0.931  -5.738
  153    HB3  SER  23           HB3      SER  23  14.148   2.065  -6.925
  154    HG   SER  23           HG       SER  23  16.264   1.289  -6.446
  155    H    ASN  24           H        ASN  24  12.786   1.294  -3.544
  156    HA   ASN  24           HA       ASN  24  14.566   0.044  -1.613
  157    HB2  ASN  24           HB2      ASN  24  14.133   2.355  -0.646
  158    HB3  ASN  24           HB3      ASN  24  12.417   1.950  -0.586
  159   HD21  ASN  24          HD21      ASN  24  11.704   0.944   1.328
  160   HD22  ASN  24          HD22      ASN  24  12.796   0.188   2.473
  161    H    TYR  25           H        TYR  25  13.541  -1.711  -0.472
  162    HA   TYR  25           HA       TYR  25  11.347  -2.907  -1.934
  163    HB2  TYR  25           HB2      TYR  25  13.078  -3.741   0.367
  164    HB3  TYR  25           HB3      TYR  25  11.547  -4.560   0.144
  165    HD1  TYR  25           HD1      TYR  25  14.818  -3.876  -1.501
  166    HD2  TYR  25           HD2      TYR  25  11.103  -6.061  -1.647
  167    HE1  TYR  25           HE1      TYR  25  15.742  -5.323  -3.305
  168    HE2  TYR  25           HE2      TYR  25  12.028  -7.521  -3.435
  169    HH   TYR  25           HH       TYR  25  13.814  -7.954  -4.809
  170    H    ILE  26           H        ILE  26   9.315  -3.223  -1.445
  171    HA   ILE  26           HA       ILE  26   8.101  -1.807   0.915
  172    HB   ILE  26           HB       ILE  26   6.720  -2.587  -1.681
  173   HG12  ILE  26          HG12      ILE  26   8.090   0.010  -0.922
  174   HG13  ILE  26          HG13      ILE  26   8.387  -0.999  -2.332
  175   HG21  ILE  26          HG21      ILE  26   5.892  -0.659   0.540
  176   HG22  ILE  26          HG22      ILE  26   4.923  -1.122  -0.877
  177   HG23  ILE  26          HG23      ILE  26   5.277  -2.314   0.357
  178   HD11  ILE  26          HD11      ILE  26   6.110  -0.457  -3.195
  179   HD12  ILE  26          HD12      ILE  26   5.921   0.707  -1.860
  180   HD13  ILE  26          HD13      ILE  26   7.203   0.941  -3.054
  181    H    HIS  27           H        HIS  27   7.060  -3.005   2.368
  182    HA   HIS  27           HA       HIS  27   6.472  -5.889   1.772
  183    HB2  HIS  27           HB2      HIS  27   7.140  -4.566   4.427
  184    HB3  HIS  27           HB3      HIS  27   6.737  -6.263   4.184
  185    HD2  HIS  27           HD2      HIS  27   9.573  -3.722   3.650
  186    HE1  HIS  27           HE1      HIS  27  11.212  -7.559   2.807
  187    HE2  HIS  27           HE2      HIS  27  11.758  -5.090   3.126
  188    H    ILE  28           H        ILE  28   4.360  -6.135   1.389
  189    HA   ILE  28           HA       ILE  28   2.368  -4.429   2.856
  190    HB   ILE  28           HB       ILE  28   1.880  -6.135   0.394
  191   HG12  ILE  28          HG12      ILE  28   2.206  -3.096   0.619
  192   HG13  ILE  28          HG13      ILE  28   3.432  -4.179  -0.041
  193   HG21  ILE  28          HG21      ILE  28  -0.292  -4.866   0.371
  194   HG22  ILE  28          HG22      ILE  28  -0.113  -5.768   1.869
  195   HG23  ILE  28          HG23      ILE  28   0.180  -4.023   1.847
  196   HD11  ILE  28          HD11      ILE  28   1.891  -4.903  -1.815
  197   HD12  ILE  28          HD12      ILE  28   0.694  -3.721  -1.241
  198   HD13  ILE  28          HD13      ILE  28   2.255  -3.166  -1.861
  199    H    ARG  29           H        ARG  29   2.064  -5.256   4.686
  200    HA   ARG  29           HA       ARG  29   1.983  -8.194   5.220
  201    HB2  ARG  29           HB2      ARG  29   2.991  -5.751   6.729
  202    HB3  ARG  29           HB3      ARG  29   2.518  -7.202   7.627
  203    HG2  ARG  29           HG2      ARG  29   4.059  -8.576   6.467
  204    HG3  ARG  29           HG3      ARG  29   4.465  -7.304   5.299
  205    HD2  ARG  29           HD2      ARG  29   5.693  -6.078   6.949
  206    HD3  ARG  29           HD3      ARG  29   5.096  -7.113   8.261
  207    HE   ARG  29           HE       ARG  29   6.225  -9.027   7.007
  208   HH11  ARG  29          HH12      ARG  29   7.738  -5.799   7.014
  209   HH12  ARG  29          HH11      ARG  29   9.267  -6.469   6.529
  210   HH21  ARG  29          HH21      ARG  29   8.224  -9.764   6.446
  211   HH22  ARG  29          HH22      ARG  29   9.551  -8.656   6.270
  212    H    ILE  30           H        ILE  30   0.703  -8.653   7.310
  213    HA   ILE  30           HA       ILE  30  -1.823  -7.038   7.414
  214    HB   ILE  30           HB       ILE  30  -1.484 -10.042   7.609
  215   HG12  ILE  30          HG12      ILE  30  -3.237  -8.304   5.812
  216   HG13  ILE  30          HG13      ILE  30  -1.713  -9.043   5.324
  217   HG21  ILE  30          HG21      ILE  30  -3.959  -8.403   8.277
  218   HG22  ILE  30          HG22      ILE  30  -3.894 -10.171   8.194
  219   HG23  ILE  30          HG23      ILE  30  -2.993  -9.343   9.440
  220   HD11  ILE  30          HD11      ILE  30  -2.674 -11.305   5.736
  221   HD12  ILE  30          HD12      ILE  30  -4.254 -10.542   6.060
  222   HD13  ILE  30          HD13      ILE  30  -3.516 -10.382   4.472
  223    H    GLN  31           H        GLN  31  -2.633  -6.607   9.416
  224    HA   GLN  31           HA       GLN  31  -1.035  -7.342  11.820
  225    HB2  GLN  31           HB2      GLN  31  -0.391  -5.077  11.097
  226    HB3  GLN  31           HB3      GLN  31  -2.084  -4.560  11.123
  227    HG2  GLN  31           HG2      GLN  31  -2.192  -4.846  13.542
  228    HG3  GLN  31           HG3      GLN  31  -0.624  -5.659  13.559
  229   HE21  GLN  31          HE21      GLN  31   0.745  -4.274  14.683
  230   HE22  GLN  31          HE22      GLN  31   0.962  -2.579  14.289
  231    H    GLN  32           H        GLN  32  -2.322  -8.513  13.031
  232    HA   GLN  32           HA       GLN  32  -5.176  -8.599  12.739
  233    HB2  GLN  32           HB2      GLN  32  -5.108 -10.331  14.373
  234    HB3  GLN  32           HB3      GLN  32  -3.775 -10.565  13.262
  235    HG2  GLN  32           HG2      GLN  32  -3.598  -9.473  16.109
  236    HG3  GLN  32           HG3      GLN  32  -3.156 -11.085  15.590
  237   HE21  GLN  32          HE21      GLN  32  -1.465  -8.942  16.918
  238   HE22  GLN  32          HE22      GLN  32  -0.107  -8.753  15.815
  239    H    ARG  33           H        ARG  33  -6.783  -7.865  13.992
  240    HA   ARG  33           HA       ARG  33  -6.234  -6.208  16.421
  241    HB2  ARG  33           HB2      ARG  33  -8.301  -5.687  14.250
  242    HB3  ARG  33           HB3      ARG  33  -8.162  -4.773  15.741
  243    HG2  ARG  33           HG2      ARG  33  -6.056  -4.809  13.532
  244    HG3  ARG  33           HG3      ARG  33  -7.311  -3.596  13.755
  245    HD2  ARG  33           HD2      ARG  33  -5.393  -2.615  14.644
  246    HD3  ARG  33           HD3      ARG  33  -6.356  -3.102  16.050
  247    HE   ARG  33           HE       ARG  33  -4.588  -5.225  15.399
  248   HH11  ARG  33          HH11      ARG  33  -4.251  -1.946  16.694
  249   HH12  ARG  33          HH12      ARG  33  -2.780  -2.354  17.530
  250   HH21  ARG  33          HH21      ARG  33  -2.814  -5.688  16.471
  251   HH22  ARG  33          HH22      ARG  33  -1.952  -4.487  17.409
  252    H    ASN  34           H        ASN  34  -8.253  -6.024  17.780
  253    HA   ASN  34           HA       ASN  34  -9.434  -8.523  18.442
  254    HB2  ASN  34           HB2      ASN  34  -9.270  -6.633  19.994
  255    HB3  ASN  34           HB3      ASN  34 -10.360  -5.672  18.989
  256   HD21  ASN  34          HD21      ASN  34 -10.196  -8.670  20.995
  257   HD22  ASN  34          HD22      ASN  34 -11.913  -8.685  21.352
  258    H    GLY  35           H        GLY  35 -11.251  -9.597  17.780
  259    HA2  GLY  35           HA2      GLY  35 -13.160 -10.155  16.571
  260    HA3  GLY  35           HA3      GLY  35 -13.446  -8.426  16.304
  261    H    ARG  36           H        ARG  36 -14.049  -8.668  14.177
  262    HA   ARG  36           HA       ARG  36 -12.285  -9.902  12.189
  263    HB2  ARG  36           HB2      ARG  36 -14.041  -9.430  10.611
  264    HB3  ARG  36           HB3      ARG  36 -14.716 -10.156  12.065
  265    HG2  ARG  36           HG2      ARG  36 -15.465  -7.901  12.844
  266    HG3  ARG  36           HG3      ARG  36 -14.789  -7.177  11.373
  267    HD2  ARG  36           HD2      ARG  36 -16.323  -8.595   9.996
  268    HD3  ARG  36           HD3      ARG  36 -16.989  -9.284  11.476
  269    HE   ARG  36           HE       ARG  36 -18.183  -7.349  11.897
  270   HH11  ARG  36          HH11      ARG  36 -16.009  -6.659   9.188
  271   HH12  ARG  36          HH12      ARG  36 -16.811  -5.163   8.812
  272   HH21  ARG  36          HH21      ARG  36 -19.162  -5.415  11.358
  273   HH22  ARG  36          HH22      ARG  36 -18.567  -4.470  10.028
  274    H    LYS  37           H        LYS  37 -11.873  -7.052  13.693
  275    HA   LYS  37           HA       LYS  37 -11.773  -5.153  11.520
  276    HB2  LYS  37           HB2      LYS  37 -10.823  -4.979  14.408
  277    HB3  LYS  37           HB3      LYS  37 -11.002  -3.611  13.303
  278    HG2  LYS  37           HG2      LYS  37 -13.426  -4.110  13.057
  279    HG3  LYS  37           HG3      LYS  37 -13.284  -5.399  14.256
  280    HD2  LYS  37           HD2      LYS  37 -12.664  -2.458  14.768
  281    HD3  LYS  37           HD3      LYS  37 -14.177  -3.279  15.181
  282    HE2  LYS  37           HE2      LYS  37 -12.906  -4.866  16.640
  283    HE3  LYS  37           HE3      LYS  37 -11.418  -3.986  16.283
  284    HZ1  LYS  37           HZ1      LYS  37 -13.801  -2.826  17.624
  285    HZ2  LYS  37           HZ2      LYS  37 -12.421  -2.010  17.299
  286    HZ3  LYS  37           HZ3      LYS  37 -12.410  -3.245  18.370
  287    H    THR  38           H        THR  38  -9.833  -7.468  11.307
  288    HA   THR  38           HA       THR  38  -7.125  -6.745  11.659
  289    HB   THR  38           HB       THR  38  -8.529  -8.552   9.659
  290    HG1  THR  38           HG1      THR  38  -7.947 -10.082  11.241
  291   HG21  THR  38          HG21      THR  38  -6.309  -8.211   8.745
  292   HG22  THR  38          HG22      THR  38  -6.346  -9.787   9.537
  293   HG23  THR  38          HG23      THR  38  -5.561  -8.415  10.350
  294    H    LEU  39           H        LEU  39  -5.551  -5.917  10.350
  295    HA   LEU  39           HA       LEU  39  -6.491  -4.058   8.200
  296    HB2  LEU  39           HB2      LEU  39  -4.270  -3.677  10.251
  297    HB3  LEU  39           HB3      LEU  39  -4.835  -2.478   9.094
  298    HG   LEU  39           HG       LEU  39  -6.460  -3.583  11.430
  299   HD11  LEU  39          HD11      LEU  39  -4.545  -2.193  12.140
  300   HD12  LEU  39          HD12      LEU  39  -6.101  -1.415  12.478
  301   HD13  LEU  39          HD13      LEU  39  -5.130  -0.877  11.096
  302   HD21  LEU  39          HD21      LEU  39  -7.079  -1.346   9.448
  303   HD22  LEU  39          HD22      LEU  39  -7.996  -1.670  10.937
  304   HD23  LEU  39          HD23      LEU  39  -7.965  -2.879   9.654
  305    H    THR  40           H        THR  40  -5.122  -3.611   6.513
  306    HA   THR  40           HA       THR  40  -2.778  -5.398   5.988
  307    HB   THR  40           HB       THR  40  -4.427  -3.552   4.215
  308    HG1  THR  40           HG1      THR  40  -5.135  -5.648   4.833
  309   HG21  THR  40          HG21      THR  40  -2.068  -3.399   3.442
  310   HG22  THR  40          HG22      THR  40  -3.021  -4.407   2.345
  311   HG23  THR  40          HG23      THR  40  -1.926  -5.173   3.517
  312    H    THR  41           H        THR  41  -0.761  -4.601   6.192
  313    HA   THR  41           HA       THR  41  -0.427  -1.718   6.866
  314    HB   THR  41           HB       THR  41   1.661  -2.605   8.096
  315    HG1  THR  41           HG1      THR  41   1.406  -4.712   8.862
  316   HG21  THR  41          HG21      THR  41   0.329  -2.917  10.111
  317   HG22  THR  41          HG22      THR  41  -1.132  -3.250   9.144
  318   HG23  THR  41          HG23      THR  41  -0.382  -1.639   9.114
  319    H    VAL  42           H        VAL  42   0.673  -0.558   5.533
  320    HA   VAL  42           HA       VAL  42   2.552  -1.873   3.587
  321    HB   VAL  42           HB       VAL  42   1.552   0.984   3.529
  322   HG11  VAL  42          HG11      VAL  42   3.039  -0.688   1.453
  323   HG12  VAL  42          HG12      VAL  42   2.424   0.963   1.215
  324   HG13  VAL  42          HG13      VAL  42   3.719   0.671   2.375
  325   HG21  VAL  42          HG21      VAL  42   0.138   0.228   1.634
  326   HG22  VAL  42          HG22      VAL  42   0.612  -1.462   1.971
  327   HG23  VAL  42          HG23      VAL  42  -0.343  -0.540   3.150
  328    H    GLN  43           H        GLN  43   4.600  -1.840   3.990
  329    HA   GLN  43           HA       GLN  43   5.857   0.207   5.779
  330    HB2  GLN  43           HB2      GLN  43   5.310  -2.015   6.844
  331    HB3  GLN  43           HB3      GLN  43   6.281  -2.806   5.607
  332    HG2  GLN  43           HG2      GLN  43   8.303  -1.570   6.473
  333    HG3  GLN  43           HG3      GLN  43   7.278  -0.859   7.728
  334   HE21  GLN  43          HE21      GLN  43   8.288  -1.897   9.550
  335   HE22  GLN  43          HE22      GLN  43   8.330  -3.655   9.699
  336    H    GLY  44           H        GLY  44   7.970   0.853   5.141
  337    HA2  GLY  44           HA2      GLY  44   9.925   0.924   3.920
  338    HA3  GLY  44           HA3      GLY  44   9.463  -0.595   3.125
  339    H    VAL  45           H        VAL  45   6.945   1.440   2.528
  340    HA   VAL  45           HA       VAL  45   7.456   1.896  -0.190
  341    HB   VAL  45           HB       VAL  45   5.240   2.000   0.683
  342   HG11  VAL  45          HG11      VAL  45   5.875   4.721   1.877
  343   HG12  VAL  45          HG12      VAL  45   4.303   3.903   1.854
  344   HG13  VAL  45          HG13      VAL  45   5.628   3.227   2.813
  345   HG21  VAL  45          HG21      VAL  45   5.960   4.646  -0.651
  346   HG22  VAL  45          HG22      VAL  45   5.718   3.095  -1.489
  347   HG23  VAL  45          HG23      VAL  45   4.370   3.859  -0.636
  348    HA   PRO  46           HA       PRO  46  10.685   4.966  -0.208
  349    HB2  PRO  46           HB2      PRO  46   9.334   5.736  -2.803
  350    HB3  PRO  46           HB3      PRO  46  11.062   5.599  -2.471
  351    HG2  PRO  46           HG2      PRO  46   9.800   3.566  -3.709
  352    HG3  PRO  46           HG3      PRO  46  10.909   3.187  -2.350
  353    HD2  PRO  46           HD2      PRO  46   7.883   3.392  -2.298
  354    HD3  PRO  46           HD3      PRO  46   8.963   2.165  -1.570
  355    H    GLU  47           H        GLU  47  10.975   7.053   0.441
  356    HA   GLU  47           HA       GLU  47   8.643   8.418   1.447
  357    HB2  GLU  47           HB2      GLU  47  10.237   9.960   2.456
  358    HB3  GLU  47           HB3      GLU  47  10.650   8.290   2.785
  359    HG2  GLU  47           HG2      GLU  47  12.009   9.716   0.475
  360    HG3  GLU  47           HG3      GLU  47  12.482  10.082   2.125
  361    H    GLU  48           H        GLU  48  10.050   8.611  -1.604
  362    HA   GLU  48           HA       GLU  48   9.438  11.402  -2.193
  363    HB2  GLU  48           HB2      GLU  48   9.830  10.824  -4.493
  364    HB3  GLU  48           HB3      GLU  48  11.108  10.152  -3.484
  365    HG2  GLU  48           HG2      GLU  48  10.004   7.911  -3.609
  366    HG3  GLU  48           HG3      GLU  48   8.754   8.592  -4.656
  367    H    TYR  49           H        TYR  49   7.525   8.515  -1.842
  368    HA   TYR  49           HA       TYR  49   5.206   9.633  -3.311
  369    HB2  TYR  49           HB2      TYR  49   5.558   7.005  -1.827
  370    HB3  TYR  49           HB3      TYR  49   4.154   7.490  -2.761
  371    HD1  TYR  49           HD2      TYR  49   4.658   8.227  -5.278
  372    HD2  TYR  49           HD1      TYR  49   7.197   5.661  -2.910
  373    HE1  TYR  49           HE2      TYR  49   5.633   7.278  -7.356
  374    HE2  TYR  49           HE1      TYR  49   8.150   4.697  -4.990
  375    HH   TYR  49           HH       TYR  49   7.082   5.731  -8.254
  376    H    ASP  50           H        ASP  50   3.686  10.804  -2.308
  377    HA   ASP  50           HA       ASP  50   3.818  11.377   0.531
  378    HB2  ASP  50           HB2      ASP  50   3.184  13.105  -1.025
  379    HB3  ASP  50           HB3      ASP  50   1.836  12.140  -1.634
  380    H    LEU  51           H        LEU  51   3.119  10.069   2.062
  381    HA   LEU  51           HA       LEU  51   1.488   7.780   1.708
  382    HB2  LEU  51           HB2      LEU  51   1.900   9.395   4.252
  383    HB3  LEU  51           HB3      LEU  51   1.431   7.698   4.146
  384    HG   LEU  51           HG       LEU  51   4.135   8.911   3.433
  385   HD11  LEU  51          HD11      LEU  51   3.627   8.740   5.840
  386   HD12  LEU  51          HD12      LEU  51   4.907   7.604   5.374
  387   HD13  LEU  51          HD13      LEU  51   3.253   7.013   5.651
  388   HD21  LEU  51          HD21      LEU  51   3.667   6.976   1.921
  389   HD22  LEU  51          HD22      LEU  51   3.360   5.960   3.355
  390   HD23  LEU  51          HD23      LEU  51   4.967   6.650   3.073
  391    H    LYS  52           H        LYS  52   0.581  11.090   2.619
  392    HA   LYS  52           HA       LYS  52  -2.171  10.596   3.256
  393    HB2  LYS  52           HB2      LYS  52  -0.910  13.127   2.143
  394    HB3  LYS  52           HB3      LYS  52  -2.450  13.003   2.992
  395    HG2  LYS  52           HG2      LYS  52  -1.248  12.210   5.035
  396    HG3  LYS  52           HG3      LYS  52   0.297  12.432   4.207
  397    HD2  LYS  52           HD2      LYS  52  -1.738  14.582   4.898
  398    HD3  LYS  52           HD3      LYS  52  -0.176  14.333   5.665
  399    HE2  LYS  52           HE2      LYS  52  -0.659  15.232   2.784
  400    HE3  LYS  52           HE3      LYS  52  -0.148  16.252   4.128
  401    HZ1  LYS  52           HZ1      LYS  52   1.890  14.847   4.258
  402    HZ2  LYS  52           HZ2      LYS  52   1.757  15.661   2.846
  403    HZ3  LYS  52           HZ3      LYS  52   1.432  14.069   2.878
  404    H    ARG  53           H        ARG  53  -0.580  11.244   0.113
  405    HA   ARG  53           HA       ARG  53  -3.034  11.268  -1.415
  406    HB2  ARG  53           HB2      ARG  53  -0.950  12.250  -2.269
  407    HB3  ARG  53           HB3      ARG  53  -0.169  10.673  -2.262
  408    HG2  ARG  53           HG2      ARG  53  -0.809  11.285  -4.511
  409    HG3  ARG  53           HG3      ARG  53  -1.701   9.853  -4.001
  410    HD2  ARG  53           HD2      ARG  53  -3.701  11.266  -3.546
  411    HD3  ARG  53           HD3      ARG  53  -2.779  12.705  -4.038
  412    HE   ARG  53           HE       ARG  53  -2.684  10.735  -6.108
  413   HH11  ARG  53          HH11      ARG  53  -4.976  13.054  -4.732
  414   HH12  ARG  53          HH12      ARG  53  -5.887  13.165  -6.207
  415   HH21  ARG  53          HH22      ARG  53  -3.900  10.930  -7.980
  416   HH22  ARG  53          HH21      ARG  53  -5.283  11.980  -8.019
  417    H    ILE  54           H        ILE  54  -0.805   8.663  -0.381
  418    HA   ILE  54           HA       ILE  54  -2.113   6.521  -1.834
  419    HB   ILE  54           HB       ILE  54  -0.455   6.372   0.708
  420   HG12  ILE  54          HG12      ILE  54   0.315   5.936  -2.213
  421   HG13  ILE  54          HG13      ILE  54   0.739   7.353  -1.278
  422   HG21  ILE  54          HG21      ILE  54  -0.211   3.958   0.058
  423   HG22  ILE  54          HG22      ILE  54  -1.865   4.384   0.447
  424   HG23  ILE  54          HG23      ILE  54  -1.380   4.221  -1.254
  425   HD11  ILE  54          HD11      ILE  54   2.663   5.964  -1.336
  426   HD12  ILE  54          HD12      ILE  54   2.022   5.883   0.316
  427   HD13  ILE  54          HD13      ILE  54   1.761   4.537  -0.819
  428    H    LEU  55           H        LEU  55  -2.696   7.879   1.486
  429    HA   LEU  55           HA       LEU  55  -4.947   6.231   2.062
  430    HB2  LEU  55           HB2      LEU  55  -4.702   9.187   2.787
  431    HB3  LEU  55           HB3      LEU  55  -5.705   7.969   3.520
  432    HG   LEU  55           HG       LEU  55  -2.758   8.437   3.856
  433   HD11  LEU  55          HD11      LEU  55  -5.071   7.987   5.784
  434   HD12  LEU  55          HD12      LEU  55  -4.388   9.561   5.322
  435   HD13  LEU  55          HD13      LEU  55  -3.408   8.408   6.235
  436   HD21  LEU  55          HD21      LEU  55  -4.184   5.834   4.525
  437   HD22  LEU  55          HD22      LEU  55  -2.596   6.334   5.163
  438   HD23  LEU  55          HD23      LEU  55  -2.784   6.068   3.431
  439    H    LYS  56           H        LYS  56  -4.927   9.484   0.468
  440    HA   LYS  56           HA       LYS  56  -7.650   9.673   0.040
  441    HB2  LYS  56           HB2      LYS  56  -5.786  11.403  -0.174
  442    HB3  LYS  56           HB3      LYS  56  -5.398  10.706  -1.746
  443    HG2  LYS  56           HG2      LYS  56  -6.692  12.687  -2.039
  444    HG3  LYS  56           HG3      LYS  56  -7.667  11.301  -2.552
  445    HD2  LYS  56           HD2      LYS  56  -8.991  11.417  -0.472
  446    HD3  LYS  56           HD3      LYS  56  -7.882  12.620   0.193
  447    HE2  LYS  56           HE2      LYS  56  -9.839  13.786  -0.500
  448    HE3  LYS  56           HE3      LYS  56  -8.541  14.215  -1.615
  449    HZ1  LYS  56           HZ1      LYS  56 -10.621  13.737  -2.773
  450    HZ2  LYS  56           HZ2      LYS  56 -10.681  12.223  -2.162
  451    HZ3  LYS  56           HZ3      LYS  56  -9.493  12.641  -3.215
  452    H    VAL  57           H        VAL  57  -5.256   8.292  -2.238
  453    HA   VAL  57           HA       VAL  57  -7.236   7.792  -4.274
  454    HB   VAL  57           HB       VAL  57  -4.830   8.155  -4.709
  455   HG11  VAL  57          HG11      VAL  57  -4.360   5.256  -4.032
  456   HG12  VAL  57          HG12      VAL  57  -3.198   6.552  -4.452
  457   HG13  VAL  57          HG13      VAL  57  -4.041   6.587  -2.910
  458   HG21  VAL  57          HG21      VAL  57  -6.367   7.234  -6.438
  459   HG22  VAL  57          HG22      VAL  57  -4.696   6.681  -6.633
  460   HG23  VAL  57          HG23      VAL  57  -5.914   5.588  -5.942
  461    H    LEU  58           H        LEU  58  -5.859   5.630  -1.729
  462    HA   LEU  58           HA       LEU  58  -7.301   3.291  -2.689
  463    HB2  LEU  58           HB2      LEU  58  -6.048   3.934   0.005
  464    HB3  LEU  58           HB3      LEU  58  -6.671   2.354  -0.463
  465    HG   LEU  58           HG       LEU  58  -4.357   3.778  -1.863
  466   HD11  LEU  58          HD11      LEU  58  -2.918   2.156  -0.758
  467   HD12  LEU  58          HD12      LEU  58  -4.315   1.394   0.016
  468   HD13  LEU  58          HD13      LEU  58  -3.845   3.042   0.470
  469   HD21  LEU  58          HD21      LEU  58  -3.948   1.521  -2.876
  470   HD22  LEU  58          HD22      LEU  58  -5.403   2.329  -3.452
  471   HD23  LEU  58          HD23      LEU  58  -5.534   1.005  -2.265
  472    H    LYS  59           H        LYS  59  -8.113   5.859  -0.336
  473    HA   LYS  59           HA       LYS  59 -10.661   4.707   0.424
  474    HB2  LYS  59           HB2      LYS  59  -9.569   7.548   0.453
  475    HB3  LYS  59           HB3      LYS  59 -11.148   7.092   1.112
  476    HG2  LYS  59           HG2      LYS  59 -10.117   5.539   2.690
  477    HG3  LYS  59           HG3      LYS  59  -8.518   5.841   2.036
  478    HD2  LYS  59           HD2      LYS  59  -8.788   8.295   2.646
  479    HD3  LYS  59           HD3      LYS  59 -10.299   7.851   3.475
  480    HE2  LYS  59           HE2      LYS  59  -8.964   6.190   4.840
  481    HE3  LYS  59           HE3      LYS  59  -7.496   6.780   4.070
  482    HZ1  LYS  59           HZ1      LYS  59  -7.891   7.823   6.225
  483    HZ2  LYS  59           HZ2      LYS  59  -9.330   8.426   5.734
  484    HZ3  LYS  59           HZ3      LYS  59  -7.949   8.971   5.049
  485    H    LYS  60           H        LYS  60  -9.699   6.787  -2.309
  486    HA   LYS  60           HA       LYS  60 -12.423   7.196  -3.236
  487    HB2  LYS  60           HB2      LYS  60 -10.600   8.808  -3.602
  488    HB3  LYS  60           HB3      LYS  60  -9.733   7.639  -4.607
  489    HG2  LYS  60           HG2      LYS  60 -11.631   7.636  -6.227
  490    HG3  LYS  60           HG3      LYS  60 -12.500   8.791  -5.198
  491    HD2  LYS  60           HD2      LYS  60 -10.686  10.450  -5.536
  492    HD3  LYS  60           HD3      LYS  60  -9.801   9.280  -6.542
  493    HE2  LYS  60           HE2      LYS  60 -11.733   9.190  -8.117
  494    HE3  LYS  60           HE3      LYS  60 -12.600  10.364  -7.122
  495    HZ1  LYS  60           HZ1      LYS  60 -10.841  11.976  -7.604
  496    HZ2  LYS  60           HZ2      LYS  60 -11.499  11.432  -8.994
  497    HZ3  LYS  60           HZ3      LYS  60 -10.035  10.886  -8.523
  498    H    ASP  61           H        ASP  61  -9.733   5.342  -4.775
  499    HA   ASP  61           HA       ASP  61 -11.564   4.291  -6.764
  500    HB2  ASP  61           HB2      ASP  61  -9.196   5.041  -7.160
  501    HB3  ASP  61           HB3      ASP  61  -8.638   3.619  -6.286
  502    H    PHE  62           H        PHE  62  -9.831   2.826  -3.992
  503    HA   PHE  62           HA       PHE  62 -10.996   0.164  -4.567
  504    HB2  PHE  62           HB2      PHE  62  -8.952   1.102  -2.515
  505    HB3  PHE  62           HB3      PHE  62  -9.533  -0.532  -2.674
  506    HD1  PHE  62           HD2      PHE  62  -7.699   2.155  -4.558
  507    HD2  PHE  62           HD1      PHE  62  -8.548  -2.058  -4.166
  508    HE1  PHE  62           HE2      PHE  62  -5.872   1.643  -6.127
  509    HE2  PHE  62           HE1      PHE  62  -6.704  -2.561  -5.747
  510    HZ   PHE  62           HZ       PHE  62  -5.363  -0.728  -6.734
  511    H    ALA  63           H        ALA  63 -12.045   2.884  -2.982
  512    HA   ALA  63           HA       ALA  63 -13.608   3.386  -1.419
  513    HB1  ALA  63           HB1      ALA  63 -14.634   0.571  -1.959
  514    HB2  ALA  63           HB2      ALA  63 -15.558   1.942  -1.320
  515    HB3  ALA  63           HB3      ALA  63 -14.943   1.993  -2.981
  516    H    CYS  64           H        CYS  64 -11.089   2.367  -0.367
  517    HA   CYS  64           HA       CYS  64 -11.724   0.592   1.896
  518    HB2  CYS  64           HB2      CYS  64  -9.184   1.822   0.739
  519    HB3  CYS  64           HB3      CYS  64  -9.185   0.884   2.237
  520    HG   CYS  64           HG       CYS  64 -10.565  -0.150  -0.596
  521    H    ASN  65           H        ASN  65 -10.366   1.217   3.942
  522    HA   ASN  65           HA       ASN  65 -10.733   4.059   4.768
  523    HB2  ASN  65           HB2      ASN  65 -11.435   1.585   6.389
  524    HB3  ASN  65           HB3      ASN  65 -11.338   3.207   7.065
  525   HD21  ASN  65          HD21      ASN  65 -13.601   1.132   6.678
  526   HD22  ASN  65          HD22      ASN  65 -14.893   2.098   5.971
  527    H    GLY  66           H        GLY  66  -8.972   4.748   6.156
  528    HA2  GLY  66           HA2      GLY  66  -6.918   2.969   7.090
  529    HA3  GLY  66           HA3      GLY  66  -6.477   3.579   5.517
  530    H    ASN  67           H        ASN  67  -4.787   4.019   7.386
  531    HA   ASN  67           HA       ASN  67  -4.710   6.908   7.845
  532    HB2  ASN  67           HB2      ASN  67  -6.118   5.977   9.745
  533    HB3  ASN  67           HB3      ASN  67  -4.708   5.031  10.234
  534   HD21  ASN  67          HD21      ASN  67  -4.668   6.097  12.298
  535   HD22  ASN  67          HD22      ASN  67  -4.081   7.746  12.427
  536    H    ILE  68           H        ILE  68  -2.667   7.594   8.863
  537    HA   ILE  68           HA       ILE  68  -0.310   5.809   8.302
  538    HB   ILE  68           HB       ILE  68  -0.540   8.800   8.786
  539   HG12  ILE  68          HG12      ILE  68   0.447   7.476   6.233
  540   HG13  ILE  68          HG13      ILE  68  -1.259   7.785   6.471
  541   HG21  ILE  68          HG21      ILE  68   1.926   7.085   8.180
  542   HG22  ILE  68          HG22      ILE  68   1.913   8.860   8.199
  543   HG23  ILE  68          HG23      ILE  68   1.605   7.973   9.685
  544   HD11  ILE  68          HD11      ILE  68   0.904   9.916   6.442
  545   HD12  ILE  68          HD12      ILE  68  -0.355   9.620   5.227
  546   HD13  ILE  68          HD13      ILE  68  -0.808  10.202   6.833
  547    H    VAL  69           H        VAL  69   0.733   4.931  10.047
  548    HA   VAL  69           HA       VAL  69   0.312   6.104  12.778
  549    HB   VAL  69           HB       VAL  69  -0.143   3.189  12.018
  550   HG11  VAL  69          HG11      VAL  69  -0.164   4.502  14.769
  551   HG12  VAL  69          HG12      VAL  69  -0.778   2.870  14.420
  552   HG13  VAL  69          HG13      VAL  69   0.932   3.219  14.199
  553   HG21  VAL  69          HG21      VAL  69  -2.123   4.510  11.484
  554   HG22  VAL  69          HG22      VAL  69  -2.446   3.614  12.969
  555   HG23  VAL  69          HG23      VAL  69  -2.047   5.335  13.062
  556    H    LYS  70           H        LYS  70   2.001   5.951  14.118
  557    HA   LYS  70           HA       LYS  70   4.553   4.704  13.196
  558    HB2  LYS  70           HB2      LYS  70   3.845   6.528  15.527
  559    HB3  LYS  70           HB3      LYS  70   5.425   5.762  15.322
  560    HG2  LYS  70           HG2      LYS  70   5.735   6.863  13.158
  561    HG3  LYS  70           HG3      LYS  70   4.146   7.651  13.306
  562    HD2  LYS  70           HD2      LYS  70   4.930   8.648  15.506
  563    HD3  LYS  70           HD3      LYS  70   6.548   8.044  15.163
  564    HE2  LYS  70           HE2      LYS  70   4.985  10.028  13.434
  565    HE3  LYS  70           HE3      LYS  70   6.176  10.466  14.661
  566    HZ1  LYS  70           HZ1      LYS  70   7.287  10.479  12.607
  567    HZ2  LYS  70           HZ2      LYS  70   6.687   9.061  12.109
  568    HZ3  LYS  70           HZ3      LYS  70   7.805   9.106  13.327
  569    H    ASP  71           H        ASP  71   4.663   2.606  13.573
  570    HA   ASP  71           HA       ASP  71   3.159   1.325  15.759
  571    HB2  ASP  71           HB2      ASP  71   3.265   0.488  13.341
  572    HB3  ASP  71           HB3      ASP  71   4.922   0.032  13.688
  573    HA   PRO  72           HA       PRO  72   6.739   0.971  18.494
  574    HB2  PRO  72           HB2      PRO  72   5.452  -1.652  19.270
  575    HB3  PRO  72           HB3      PRO  72   6.110  -0.363  20.325
  576    HG2  PRO  72           HG2      PRO  72   3.443  -0.587  19.941
  577    HG3  PRO  72           HG3      PRO  72   4.217   1.034  19.921
  578    HD2  PRO  72           HD2      PRO  72   3.380  -0.685  17.579
  579    HD3  PRO  72           HD3      PRO  72   3.163   1.073  17.838
  580    H    GLU  73           H        GLU  73   5.780  -1.806  16.445
  581    HA   GLU  73           HA       GLU  73   8.566  -2.921  16.545
  582    HB2  GLU  73           HB2      GLU  73   5.920  -4.165  15.688
  583    HB3  GLU  73           HB3      GLU  73   7.483  -4.966  15.637
  584    HG2  GLU  73           HG2      GLU  73   6.070  -3.979  18.154
  585    HG3  GLU  73           HG3      GLU  73   6.129  -5.637  17.578
  586    H    MET  74           H        MET  74   5.888  -2.150  14.274
  587    HA   MET  74           HA       MET  74   7.509  -2.766  11.932
  588    HB2  MET  74           HB2      MET  74   4.750  -1.498  12.149
  589    HB3  MET  74           HB3      MET  74   5.490  -2.062  10.673
  590    HG2  MET  74           HG2      MET  74   5.590  -4.374  11.640
  591    HG3  MET  74           HG3      MET  74   4.758  -3.772  13.078
  592    HE1  MET  74           HE1      MET  74   1.969  -5.935  11.462
  593    HE2  MET  74           HE2      MET  74   3.708  -6.266  11.585
  594    HE3  MET  74           HE3      MET  74   2.842  -5.530  12.954
  595    H    GLY  75           H        GLY  75   7.157   0.157  13.751
  596    HA2  GLY  75           HA2      GLY  75   8.105   2.272  13.391
  597    HA3  GLY  75           HA3      GLY  75   8.671   1.749  11.790
  598    H    GLU  76           H        GLU  76   7.886   3.884  11.029
  599    HA   GLU  76           HA       GLU  76   5.115   4.519  11.116
  600    HB2  GLU  76           HB2      GLU  76   7.147   6.058  10.807
  601    HB3  GLU  76           HB3      GLU  76   7.107   5.586   9.096
  602    HG2  GLU  76           HG2      GLU  76   4.729   6.314   9.004
  603    HG3  GLU  76           HG3      GLU  76   4.805   6.744  10.715
  604    H    ILE  77           H        ILE  77   3.489   3.773   9.985
  605    HA   ILE  77           HA       ILE  77   3.801   2.380   7.365
  606    HB   ILE  77           HB       ILE  77   2.347   0.561   8.269
  607   HG12  ILE  77          HG12      ILE  77   3.078   1.622  11.036
  608   HG13  ILE  77          HG13      ILE  77   1.491   1.799  10.285
  609   HG21  ILE  77          HG21      ILE  77   4.830   0.358   7.970
  610   HG22  ILE  77          HG22      ILE  77   5.020   0.685   9.702
  611   HG23  ILE  77          HG23      ILE  77   4.130  -0.750   9.149
  612   HD11  ILE  77          HD11      ILE  77   2.820  -0.809  11.078
  613   HD12  ILE  77          HD12      ILE  77   1.396  -0.043  11.806
  614   HD13  ILE  77          HD13      ILE  77   1.312  -0.676  10.154
  615    H    ILE  78           H        ILE  78   1.920   2.141   6.154
  616    HA   ILE  78           HA       ILE  78  -0.442   3.800   6.971
  617    HB   ILE  78           HB       ILE  78   0.284   2.500   4.328
  618   HG12  ILE  78          HG12      ILE  78  -0.216   5.452   4.842
  619   HG13  ILE  78          HG13      ILE  78   1.389   4.747   5.060
  620   HG21  ILE  78          HG21      ILE  78  -2.273   3.920   5.163
  621   HG22  ILE  78          HG22      ILE  78  -1.841   3.603   3.472
  622   HG23  ILE  78          HG23      ILE  78  -2.108   2.260   4.563
  623   HD11  ILE  78          HD11      ILE  78  -0.190   4.620   2.463
  624   HD12  ILE  78          HD12      ILE  78   1.147   5.711   2.811
  625   HD13  ILE  78          HD13      ILE  78   1.438   3.961   2.752
  626    H    GLN  79           H        GLN  79  -2.182   2.814   7.741
  627    HA   GLN  79           HA       GLN  79  -2.487  -0.161   7.620
  628    HB2  GLN  79           HB2      GLN  79  -3.634   2.003   9.441
  629    HB3  GLN  79           HB3      GLN  79  -4.301   0.371   9.352
  630    HG2  GLN  79           HG2      GLN  79  -2.201  -0.607  10.114
  631    HG3  GLN  79           HG3      GLN  79  -1.413   0.977  10.136
  632   HE21  GLN  79          HE22      GLN  79  -1.643  -0.821  12.474
  633   HE22  GLN  79          HE21      GLN  79  -2.616   0.086  13.618
  634    H    LEU  80           H        LEU  80  -4.171  -0.955   6.433
  635    HA   LEU  80           HA       LEU  80  -6.385   0.840   5.570
  636    HB2  LEU  80           HB2      LEU  80  -4.477  -0.093   3.843
  637    HB3  LEU  80           HB3      LEU  80  -5.517  -1.515   3.914
  638    HG   LEU  80           HG       LEU  80  -7.435  -0.143   3.140
  639   HD11  LEU  80          HD11      LEU  80  -5.277   1.999   2.723
  640   HD12  LEU  80          HD12      LEU  80  -6.638   2.128   3.845
  641   HD13  LEU  80          HD13      LEU  80  -6.940   2.088   2.106
  642   HD21  LEU  80          HD21      LEU  80  -6.116  -1.463   1.548
  643   HD22  LEU  80          HD22      LEU  80  -4.924  -0.176   1.413
  644   HD23  LEU  80          HD23      LEU  80  -6.568   0.059   0.772
  645    H    GLN  81           H        GLN  81  -8.491  -0.162   5.778
  646    HA   GLN  81           HA       GLN  81  -8.601  -2.424   7.616
  647    HB2  GLN  81           HB2      GLN  81 -10.769  -0.888   6.138
  648    HB3  GLN  81           HB3      GLN  81 -11.095  -2.243   7.227
  649    HG2  GLN  81           HG2      GLN  81  -9.928  -1.043   9.075
  650    HG3  GLN  81           HG3      GLN  81  -9.708   0.354   8.020
  651   HE21  GLN  81          HE21      GLN  81 -11.037   0.766  10.408
  652   HE22  GLN  81          HE22      GLN  81 -12.749   0.990  10.085
  653    H    GLY  82           H        GLY  82  -8.987  -4.555   7.313
  654    HA2  GLY  82           HA2      GLY  82  -9.701  -6.497   6.265
  655    HA3  GLY  82           HA3      GLY  82  -9.955  -5.632   4.741
  656    H    ASP  83           H        ASP  83  -8.930  -7.802   4.159
  657    HA   ASP  83           HA       ASP  83  -5.980  -7.863   4.274
  658    HB2  ASP  83           HB2      ASP  83  -6.200 -10.133   3.490
  659    HB3  ASP  83           HB3      ASP  83  -7.142  -9.858   4.944
  660    H    GLN  84           H        GLN  84  -5.803  -5.972   2.910
  661    HA   GLN  84           HA       GLN  84  -6.592  -6.205   0.059
  662    HB2  GLN  84           HB2      GLN  84  -5.523  -3.736   1.430
  663    HB3  GLN  84           HB3      GLN  84  -6.519  -3.840  -0.017
  664    HG2  GLN  84           HG2      GLN  84  -7.369  -4.241   2.877
  665    HG3  GLN  84           HG3      GLN  84  -7.816  -2.931   1.812
  666   HE21  GLN  84          HE21      GLN  84  -9.816  -4.046   3.091
  667   HE22  GLN  84          HE22      GLN  84 -10.784  -5.071   2.017
  668    H    ARG  85           H        ARG  85  -4.177  -7.510   1.360
  669    HA   ARG  85           HA       ARG  85  -1.910  -6.125   0.678
  670    HB2  ARG  85           HB2      ARG  85  -0.683  -8.229   1.007
  671    HB3  ARG  85           HB3      ARG  85  -1.897  -7.931   2.246
  672    HG2  ARG  85           HG2      ARG  85  -3.465  -9.508   1.090
  673    HG3  ARG  85           HG3      ARG  85  -2.201  -9.863  -0.103
  674    HD2  ARG  85           HD2      ARG  85  -0.755 -10.763   1.644
  675    HD3  ARG  85           HD3      ARG  85  -1.925 -10.315   2.891
  676    HE   ARG  85           HE       ARG  85  -3.313 -11.909   1.038
  677   HH11  ARG  85          HH11      ARG  85  -0.627 -12.388   3.265
  678   HH12  ARG  85          HH12      ARG  85  -0.958 -14.095   3.447
  679   HH21  ARG  85          HH21      ARG  85  -3.706 -14.098   1.318
  680   HH22  ARG  85          HH22      ARG  85  -2.691 -15.040   2.365
  681    H    ALA  86           H        ALA  86  -3.595  -8.423  -1.436
  682    HA   ALA  86           HA       ALA  86  -1.705  -8.184  -3.647
  683    HB1  ALA  86           HB1      ALA  86  -3.467  -9.441  -4.852
  684    HB2  ALA  86           HB2      ALA  86  -3.121 -10.174  -3.273
  685    HB3  ALA  86           HB3      ALA  86  -4.588  -9.193  -3.494
  686    H    LYS  87           H        LYS  87  -4.808  -6.627  -2.806
  687    HA   LYS  87           HA       LYS  87  -5.170  -5.141  -5.230
  688    HB2  LYS  87           HB2      LYS  87  -6.102  -4.544  -2.384
  689    HB3  LYS  87           HB3      LYS  87  -6.721  -3.784  -3.842
  690    HG2  LYS  87           HG2      LYS  87  -7.518  -6.021  -4.659
  691    HG3  LYS  87           HG3      LYS  87  -6.952  -6.736  -3.133
  692    HD2  LYS  87           HD2      LYS  87  -8.390  -4.980  -1.944
  693    HD3  LYS  87           HD3      LYS  87  -9.140  -4.647  -3.511
  694    HE2  LYS  87           HE2      LYS  87  -9.973  -6.919  -3.685
  695    HE3  LYS  87           HE3      LYS  87  -8.966  -7.452  -2.329
  696    HZ1  LYS  87           HZ1      LYS  87 -10.245  -6.025  -0.867
  697    HZ2  LYS  87           HZ2      LYS  87 -11.233  -7.114  -1.599
  698    HZ3  LYS  87           HZ3      LYS  87 -11.228  -5.554  -2.096
  699    H    VAL  88           H        VAL  88  -3.640  -4.205  -2.128
  700    HA   VAL  88           HA       VAL  88  -2.851  -1.592  -3.077
  701    HB   VAL  88           HB       VAL  88  -1.761  -3.223  -0.756
  702   HG11  VAL  88          HG11      VAL  88  -0.946  -1.016   0.094
  703   HG12  VAL  88          HG12      VAL  88  -0.086  -1.523  -1.357
  704   HG13  VAL  88          HG13      VAL  88  -1.349  -0.276  -1.466
  705   HG21  VAL  88          HG21      VAL  88  -4.184  -2.579  -0.557
  706   HG22  VAL  88          HG22      VAL  88  -3.172  -1.737   0.619
  707   HG23  VAL  88          HG23      VAL  88  -3.739  -0.891  -0.840
  708    H    CYS  89           H        CYS  89  -1.141  -4.788  -3.149
  709    HA   CYS  89           HA       CYS  89   1.322  -3.830  -4.226
  710    HB2  CYS  89           HB2      CYS  89   0.804  -6.155  -3.390
  711    HB3  CYS  89           HB3      CYS  89  -0.121  -6.449  -4.870
  712    HG   CYS  89           HG       CYS  89   1.875  -5.876  -6.535
  713    H    GLU  90           H        GLU  90  -1.679  -4.813  -5.943
  714    HA   GLU  90           HA       GLU  90  -0.818  -4.147  -8.545
  715    HB2  GLU  90           HB2      GLU  90  -2.827  -5.497  -7.890
  716    HB3  GLU  90           HB3      GLU  90  -3.661  -3.994  -7.467
  717    HG2  GLU  90           HG2      GLU  90  -3.432  -3.194  -9.781
  718    HG3  GLU  90           HG3      GLU  90  -2.476  -4.622 -10.198
  719    H    PHE  91           H        PHE  91  -2.317  -1.982  -6.042
  720    HA   PHE  91           HA       PHE  91  -2.555   0.334  -7.699
  721    HB2  PHE  91           HB2      PHE  91  -3.650   0.362  -5.581
  722    HB3  PHE  91           HB3      PHE  91  -2.203  -0.097  -4.715
  723    HD1  PHE  91           HD1      PHE  91  -3.618   2.685  -6.793
  724    HD2  PHE  91           HD2      PHE  91  -0.756   1.521  -3.790
  725    HE1  PHE  91           HE1      PHE  91  -2.920   5.052  -6.532
  726    HE2  PHE  91           HE2      PHE  91  -0.076   3.891  -3.512
  727    HZ   PHE  91           HZ       PHE  91  -1.166   5.666  -4.892
  728    H    MET  92           H        MET  92   0.145  -0.753  -5.615
  729    HA   MET  92           HA       MET  92   1.901   1.448  -6.067
  730    HB2  MET  92           HB2      MET  92   2.467  -1.462  -5.420
  731    HB3  MET  92           HB3      MET  92   3.653  -0.173  -5.259
  732    HG2  MET  92           HG2      MET  92   1.006  -0.025  -3.802
  733    HG3  MET  92           HG3      MET  92   2.307  -1.011  -3.173
  734    HE1  MET  92           HE1      MET  92   1.795   2.171  -0.895
  735    HE2  MET  92           HE2      MET  92   0.549   1.505  -1.970
  736    HE3  MET  92           HE3      MET  92   1.579   0.409  -1.028
  737    H    ILE  93           H        ILE  93   1.578  -1.665  -7.804
  738    HA   ILE  93           HA       ILE  93   3.669  -1.095  -9.736
  739    HB   ILE  93           HB       ILE  93   1.369  -3.083  -9.754
  740   HG12  ILE  93          HG12      ILE  93   4.332  -3.619  -9.234
  741   HG13  ILE  93          HG13      ILE  93   3.216  -3.249  -7.935
  742   HG21  ILE  93          HG21      ILE  93   3.838  -2.998 -11.555
  743   HG22  ILE  93          HG22      ILE  93   2.638  -4.300 -11.514
  744   HG23  ILE  93          HG23      ILE  93   2.162  -2.707 -12.077
  745   HD11  ILE  93          HD11      ILE  93   3.024  -5.651  -9.777
  746   HD12  ILE  93          HD12      ILE  93   3.429  -5.620  -8.053
  747   HD13  ILE  93          HD13      ILE  93   1.792  -5.193  -8.579
  748    H    SER  94           H        SER  94   0.104  -0.766  -9.908
  749    HA   SER  94           HA       SER  94   0.117   0.048 -12.674
  750    HB2  SER  94           HB2      SER  94  -1.747  -1.122 -11.653
  751    HB3  SER  94           HB3      SER  94  -1.997   0.196 -10.494
  752    HG   SER  94           HG       SER  94  -3.383   0.115 -12.474
  753    H    GLN  95           H        GLN  95  -0.327   1.970  -9.650
  754    HA   GLN  95           HA       GLN  95  -0.696   4.415 -11.311
  755    HB2  GLN  95           HB2      GLN  95  -1.217   3.871  -8.366
  756    HB3  GLN  95           HB3      GLN  95  -1.618   5.356  -9.224
  757    HG2  GLN  95           HG2      GLN  95  -2.824   2.601  -9.770
  758    HG3  GLN  95           HG3      GLN  95  -3.604   3.939  -8.943
  759   HE21  GLN  95          HE21      GLN  95  -2.943   2.556 -12.112
  760   HE22  GLN  95          HE22      GLN  95  -3.679   3.875 -13.005
  761    H    LEU  96           H        LEU  96   1.513   3.203  -8.736
  762    HA   LEU  96           HA       LEU  96   3.010   5.760  -8.824
  763    HB2  LEU  96           HB2      LEU  96   3.848   3.220  -7.401
  764    HB3  LEU  96           HB3      LEU  96   4.420   4.842  -7.149
  765    HG   LEU  96           HG       LEU  96   1.655   3.806  -6.410
  766   HD11  LEU  96          HD11      LEU  96   2.413   4.189  -4.115
  767   HD12  LEU  96          HD12      LEU  96   3.974   4.809  -4.700
  768   HD13  LEU  96          HD13      LEU  96   3.537   3.109  -4.958
  769   HD21  LEU  96          HD21      LEU  96   1.390   6.145  -7.093
  770   HD22  LEU  96          HD22      LEU  96   2.798   6.622  -6.119
  771   HD23  LEU  96          HD23      LEU  96   1.319   6.038  -5.329
  772    H    GLY  97           H        GLY  97   2.941   2.856 -10.609
  773    HA2  GLY  97           HA2      GLY  97   4.127   2.269 -12.504
  774    HA3  GLY  97           HA3      GLY  97   5.183   3.686 -12.275
  775    H    LEU  98           H        LEU  98   4.911   1.531  -9.548
  776    HA   LEU  98           HA       LEU  98   7.747   1.036  -9.612
  777    HB2  LEU  98           HB2      LEU  98   5.494   0.053  -7.834
  778    HB3  LEU  98           HB3      LEU  98   7.160  -0.421  -7.569
  779    HG   LEU  98           HG       LEU  98   6.357   2.522  -7.691
  780   HD11  LEU  98          HD11      LEU  98   6.346   2.440  -5.196
  781   HD12  LEU  98          HD12      LEU  98   6.454   0.663  -5.292
  782   HD13  LEU  98          HD13      LEU  98   5.032   1.512  -5.933
  783   HD21  LEU  98          HD21      LEU  98   8.780   2.056  -7.943
  784   HD22  LEU  98          HD22      LEU  98   8.752   1.055  -6.474
  785   HD23  LEU  98          HD23      LEU  98   8.453   2.801  -6.377
  786    H    GLN  99           H        GLN  99   8.889  -0.891  -9.935
  787    HA   GLN  99           HA       GLN  99   7.567  -2.914 -11.644
  788    HB2  GLN  99           HB2      GLN  99  10.445  -2.652 -10.672
  789    HB3  GLN  99           HB3      GLN  99   9.838  -3.952 -11.703
  790    HG2  GLN  99           HG2      GLN  99   9.167  -2.283 -13.424
  791    HG3  GLN  99           HG3      GLN  99   9.824  -0.987 -12.421
  792   HE21  GLN  99          HE21      GLN  99  12.214  -0.920 -12.082
  793   HE22  GLN  99          HE22      GLN  99  13.246  -1.760 -13.227
  794    H    LYS 100           H        LYS 100   6.929  -4.902 -11.021
  795    HA   LYS 100           HA       LYS 100   6.009  -5.389  -8.480
  796    HB2  LYS 100           HB2      LYS 100   5.253  -6.424 -10.518
  797    HB3  LYS 100           HB3      LYS 100   6.712  -7.427 -10.590
  798    HG2  LYS 100           HG2      LYS 100   6.114  -8.621  -8.600
  799    HG3  LYS 100           HG3      LYS 100   4.861  -7.446  -8.151
  800    HD2  LYS 100           HD2      LYS 100   3.491  -8.052 -10.043
  801    HD3  LYS 100           HD3      LYS 100   4.777  -9.050 -10.706
  802    HE2  LYS 100           HE2      LYS 100   3.363  -9.574  -8.041
  803    HE3  LYS 100           HE3      LYS 100   2.853 -10.290  -9.572
  804    HZ1  LYS 100           HZ1      LYS 100   5.493 -10.737  -8.294
  805    HZ2  LYS 100           HZ2      LYS 100   5.030 -11.365  -9.734
  806    HZ3  LYS 100           HZ3      LYS 100   4.266 -11.812  -8.361
  807    H    LYS 101           H        LYS 101   9.183  -6.346  -9.709
  808    HA   LYS 101           HA       LYS 101  10.064  -8.148  -7.750
  809    HB2  LYS 101           HB2      LYS 101  12.283  -7.646  -8.531
  810    HB3  LYS 101           HB3      LYS 101  11.166  -7.694  -9.894
  811    HG2  LYS 101           HG2      LYS 101  11.067  -5.155  -9.820
  812    HG3  LYS 101           HG3      LYS 101  12.324  -5.184  -8.579
  813    HD2  LYS 101           HD2      LYS 101  12.589  -6.334 -11.389
  814    HD3  LYS 101           HD3      LYS 101  13.183  -4.747 -10.872
  815    HE2  LYS 101           HE2      LYS 101  14.657  -5.852  -9.187
  816    HE3  LYS 101           HE3      LYS 101  14.095  -7.435  -9.742
  817    HZ1  LYS 101           HZ1      LYS 101  16.189  -6.832 -10.788
  818    HZ2  LYS 101           HZ2      LYS 101  15.554  -5.467 -11.417
  819    HZ3  LYS 101           HZ3      LYS 101  15.027  -6.929 -11.931
  820    H    ASN 102           H        ASN 102   9.626  -4.712  -7.301
  821    HA   ASN 102           HA       ASN 102  11.388  -4.509  -4.960
  822    HB2  ASN 102           HB2      ASN 102   9.308  -2.608  -6.128
  823    HB3  ASN 102           HB3      ASN 102  10.409  -2.217  -4.812
  824   HD21  ASN 102          HD21      ASN 102  10.140  -2.678  -8.279
  825   HD22  ASN 102          HD22      ASN 102  11.772  -2.107  -8.647
  826    H    ILE 103           H        ILE 103   8.245  -5.851  -5.330
  827    HA   ILE 103           HA       ILE 103   7.408  -4.950  -2.594
  828    HB   ILE 103           HB       ILE 103   5.569  -5.803  -4.846
  829   HG12  ILE 103          HG12      ILE 103   6.442  -2.985  -4.050
  830   HG13  ILE 103          HG13      ILE 103   6.737  -3.786  -5.596
  831   HG21  ILE 103          HG21      ILE 103   4.678  -6.041  -2.535
  832   HG22  ILE 103          HG22      ILE 103   5.093  -4.349  -2.193
  833   HG23  ILE 103          HG23      ILE 103   3.846  -4.759  -3.383
  834   HD11  ILE 103          HD11      ILE 103   4.074  -2.840  -4.534
  835   HD12  ILE 103          HD12      ILE 103   4.963  -2.269  -5.957
  836   HD13  ILE 103          HD13      ILE 103   4.249  -3.897  -5.956
  837    H    LYS 104           H        LYS 104   7.153  -6.359  -1.076
  838    HA   LYS 104           HA       LYS 104   6.876  -9.279  -1.674
  839    HB2  LYS 104           HB2      LYS 104   7.593  -7.837   0.909
  840    HB3  LYS 104           HB3      LYS 104   7.518  -9.585   0.672
  841    HG2  LYS 104           HG2      LYS 104   9.536  -7.690  -0.600
  842    HG3  LYS 104           HG3      LYS 104   9.805  -8.779   0.761
  843    HD2  LYS 104           HD2      LYS 104   9.202 -10.720  -0.779
  844    HD3  LYS 104           HD3      LYS 104   9.248  -9.558  -2.128
  845    HE2  LYS 104           HE2      LYS 104  11.591  -8.953  -1.484
  846    HE3  LYS 104           HE3      LYS 104  11.519 -10.129  -0.164
  847    HZ1  LYS 104           HZ1      LYS 104  11.288 -10.805  -3.049
  848    HZ2  LYS 104           HZ2      LYS 104  11.231 -11.884  -1.820
  849    HZ3  LYS 104           HZ3      LYS 104  12.608 -11.060  -2.120
  850    H    ILE 105           H        ILE 105   5.028 -10.297  -1.172
  851    HA   ILE 105           HA       ILE 105   2.852  -8.883   0.350
  852    HB   ILE 105           HB       ILE 105   2.708 -11.150  -1.686
  853   HG12  ILE 105          HG12      ILE 105   1.639  -8.283  -1.776
  854   HG13  ILE 105          HG13      ILE 105   3.031  -8.885  -2.677
  855   HG21  ILE 105          HG21      ILE 105   0.461  -9.830  -0.112
  856   HG22  ILE 105          HG22      ILE 105   0.264 -11.093  -1.344
  857   HG23  ILE 105          HG23      ILE 105   1.065 -11.479   0.163
  858   HD11  ILE 105          HD11      ILE 105   1.193  -8.813  -4.194
  859   HD12  ILE 105          HD12      ILE 105   1.515 -10.520  -3.851
  860   HD13  ILE 105          HD13      ILE 105   0.132  -9.691  -3.090
  861    H    HIS 106           H        HIS 106   2.481  -9.589   2.334
  862    HA   HIS 106           HA       HIS 106   3.570 -12.247   3.230
  863    HB2  HIS 106           HB2      HIS 106   3.524  -9.538   4.565
  864    HB3  HIS 106           HB3      HIS 106   4.032 -11.014   5.378
  865    HD2  HIS 106           HD2      HIS 106   5.348  -8.187   3.357
  866    HE1  HIS 106           HE1      HIS 106   8.534 -10.998   3.576
  867    HE2  HIS 106           HE2      HIS 106   7.928  -8.585   3.050
  868    H    GLY 107           H        GLY 107   2.682 -12.889   5.395
  869    HA2  GLY 107           HA2      GLY 107  -0.290 -12.509   5.658
  870    HA3  GLY 107           HA3      GLY 107   0.671 -13.853   6.307
  871    H    PHE 108           H        PHE 108   0.310 -13.710   8.412
  872    HA   PHE 108           HA       PHE 108   1.517 -11.582   9.980
  873    HB2  PHE 108           HB2      PHE 108  -0.393 -11.007  11.289
  874    HB3  PHE 108           HB3      PHE 108  -0.705 -10.641   9.617
  875    HD1  PHE 108           HD2      PHE 108  -2.195 -12.281   8.247
  876    HD2  PHE 108           HD1      PHE 108  -1.913 -12.329  12.550
  877    HE1  PHE 108           HE2      PHE 108  -4.376 -13.454   8.375
  878    HE2  PHE 108           HE1      PHE 108  -4.099 -13.502  12.675
  879    HZ   PHE 108           HZ       PHE 108  -5.336 -14.063  10.590