*HEADER    SIGNALING PROTEIN                       29-APR-14   2MOR              
*TITLE     A TENSOR-FREE METHOD FOR THE STRUCTURAL AND DYNAMICAL REFINEMENT OF   
*TITLE    2 PROTEINS USING RESIDUAL DIPOLAR COUPLINGS                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UBIQUITIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-76;                                         
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: UBC;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    UBIQUITIN, SIGNALING PROTEIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    C.CAMILLONI, M.VENDRUSCOLO                                            
*REVDAT   1   25-JUN-14 2MOR    0                                                


MOLINFO STRUCTURE=template.pdb

ALPHABETA ...
REFERENCE=pi
ATOMS1=@omega-1
ATOMS2=@omega-2
ATOMS3=@omega-3
ATOMS4=@omega-4
ATOMS5=@omega-5
ATOMS6=@omega-6
ATOMS7=@omega-7
ATOMS8=@omega-8
ATOMS9=@omega-9
ATOMS10=@omega-10
ATOMS11=@omega-11
ATOMS12=@omega-12
ATOMS13=@omega-13
ATOMS14=@omega-14
ATOMS15=@omega-15
ATOMS16=@omega-16
ATOMS17=@omega-17
ATOMS18=@omega-18
ATOMS19=@omega-19
ATOMS20=@omega-20
ATOMS21=@omega-21
ATOMS22=@omega-22
ATOMS23=@omega-23
ATOMS24=@omega-24
ATOMS25=@omega-25
ATOMS26=@omega-26
ATOMS27=@omega-27
ATOMS28=@omega-28
ATOMS29=@omega-29
ATOMS30=@omega-30
ATOMS31=@omega-31
ATOMS32=@omega-32
ATOMS33=@omega-33
ATOMS34=@omega-34
ATOMS35=@omega-35
ATOMS36=@omega-36
ATOMS37=@omega-37
ATOMS38=@omega-38
ATOMS39=@omega-39
ATOMS40=@omega-40
ATOMS41=@omega-41
ATOMS42=@omega-42
ATOMS43=@omega-43
ATOMS44=@omega-44
ATOMS45=@omega-45
ATOMS46=@omega-46
ATOMS47=@omega-47
ATOMS48=@omega-48
ATOMS49=@omega-49
ATOMS50=@omega-50
ATOMS51=@omega-51
ATOMS52=@omega-52
ATOMS53=@omega-53
ATOMS54=@omega-54
ATOMS55=@omega-55
ATOMS56=@omega-56
ATOMS57=@omega-57
ATOMS58=@omega-58
ATOMS59=@omega-59
ATOMS60=@omega-60
ATOMS61=@omega-61
ATOMS62=@omega-62
ATOMS63=@omega-63
ATOMS64=@omega-64
ATOMS65=@omega-65
ATOMS66=@omega-66
ATOMS67=@omega-67
ATOMS68=@omega-68
ATOMS69=@omega-69
ATOMS70=@omega-70
ATOMS71=@omega-71
ATOMS72=@omega-72
ATOMS73=@omega-73
ATOMS74=@omega-74
ATOMS75=@omega-75
LABEL=abb
... ALPHABETA

DIPOLARCOUPLING ...
GYROM=-72.5388
SCALE=1.0 
CORRELATION
ATOMS1=20,21 COUPLING1=8.17
ATOMS2=37,38 COUPLING2=-8.271
ATOMS3=56,57 COUPLING3=-10.489
ATOMS4=76,77 COUPLING4=-9.871
ATOMS5=92,93 COUPLING5=-9.152
ATOMS6=114,115 COUPLING6=-3.70
ATOMS7=128,129 COUPLING7=-6.461
ATOMS8=161,162 COUPLING8=-7.6340
ATOMS9=168,169 COUPLING9=7.528
ATOMS10=190,191 COUPLING10=-7.378
ATOMS11=204,205 COUPLING11=-6.947
ATOMS12=223,224 COUPLING12=-9.713
ATOMS13=237,238 COUPLING13=-9.851
ATOMS14=256,257 COUPLING14=-1.909
ATOMS15=271,272 COUPLING15=-0.041
ATOMS16=287,288 COUPLING16=10.513
ATOMS17=316,317 COUPLING17=4.071
ATOMS18=327,328 COUPLING18=-2.119
ATOMS19=339,340 COUPLING19=-11.814
ATOMS20=353,354 COUPLING20=-9.098
ATOMS21=387,388 COUPLING21=-2.948
ATOMS22=401,402 COUPLING22=-8.892
ATOMS23=417,418 COUPLING23=-8.223
ATOMS24=439,440 COUPLING24=-1.502
ATOMS25=449,450 COUPLING25=-7.176
ATOMS26=471,472 COUPLING26=-8.709
ATOMS27=490,491 COUPLING27=-4.284
ATOMS28=507,508 COUPLING28=-1.265
ATOMS29=519,520 COUPLING29=-8.258
ATOMS30=541,542 COUPLING30=-6.525
ATOMS31=556,557 COUPLING31=12.503
ATOMS32=563,564 COUPLING32=13.879
ATOMS33=610,611 COUPLING33=-10.701
ATOMS34=622,623 COUPLING34=-1.94
ATOMS35=639,640 COUPLING35=-7.874
ATOMS36=656,657 COUPLING36=-5.719
ATOMS37=680,681 COUPLING37=-7.679
ATOMS38=699,700 COUPLING38=-7.979
ATOMS39=718,719 COUPLING39=-4.239
ATOMS40=738,739 COUPLING40=-7.052
ATOMS41=748,749 COUPLING41=-9.05
ATOMS42=755,756 COUPLING42=10.826
ATOMS43=777,778 COUPLING43=-3.50
ATOMS44=794,795 COUPLING44=-5.857
ATOMS45=813,814 COUPLING45=6.788
ATOMS46=828,829 COUPLING46=16.983
ATOMS47=847,848 COUPLING47=6.3010
ATOMS48=871,872 COUPLING48=-6.761
ATOMS49=885,886 COUPLING49=-11.021
ATOMS50=904,905 COUPLING50=-10.855
ATOMS51=915,916 COUPLING51=-7.863
ATOMS52=927,928 COUPLING52=-10.403
ATOMS53=948,949 COUPLING53=-7.355
ATOMS54=962,963 COUPLING54=-6.911
ATOMS55=981,982 COUPLING55=-2.513
ATOMS56=998,999 COUPLING56=11.051
ATOMS57=1020,1021 COUPLING57=-10.721
ATOMS58=1035,1036 COUPLING58=-4.026
ATOMS59=1046,1047 COUPLING59=-11.32
ATOMS60=1060,1061 COUPLING60=-9.846
ATOMS61=1079,1080 COUPLING61=-8.736
ATOMS62=1096,1097 COUPLING62=-6.348
ATOMS63=1115,1116 COUPLING63=-4.552
#ATOMS64=1131,1132 COUPLING64=-6.23
#ATOMS65=1150,1151 COUPLING65=-3.34
#ATOMS66=1174,1175 COUPLING66=-8.33
#ATOMS67=1193,1194 COUPLING67=-5.46
#ATOMS68=1217,1218 COUPLING68=-2.11
#ATOMS69=1224,1225 COUPLING69=-1.12
LABEL=nh
... DIPOLARCOUPLING

DIPOLARCOUPLING ...
GYROM=179.9319
SCALE=1.0
CORRELATION
ATOMS1=5,6 COUPLING1=-16.4200
ATOMS2=22,23 COUPLING2=7.6090
ATOMS3=39,40 COUPLING3=12.1850
ATOMS4=58,59 COUPLING4=26.2980
ATOMS5=78,79 COUPLING5=23.6130
ATOMS6=94,95 COUPLING6=17.9660
ATOMS7=116,117 COUPLING7=16.8620
ATOMS8=149,150 COUPLING8=-11.4530
ATOMS9=170,171 COUPLING9=9.0170
ATOMS10=192,193 COUPLING10=11.3000
ATOMS11=206,207 COUPLING11=18.3460
ATOMS12=225,226 COUPLING12=24.7330
ATOMS13=239,240 COUPLING13=22.8980
ATOMS14=258,259 COUPLING14=8.3010
ATOMS15=273,274 COUPLING15=17.9190
ATOMS16=289,290 COUPLING16=-14.9170
ATOMS17=306,307 COUPLING17=-6.8720
ATOMS18=329,330 COUPLING18=24.8860
ATOMS19=341,342 COUPLING19=20.3720
ATOMS20=355,356 COUPLING20=6.7800
ATOMS21=374,375 COUPLING21=-28.1920
ATOMS22=389,390 COUPLING22=15.1620
ATOMS23=403,404 COUPLING23=-5.2050
ATOMS24=419,420 COUPLING24=15.6350
ATOMS25=441,442 COUPLING25=-36.4040
ATOMS26=451,452 COUPLING26=23.0280
ATOMS27=473,474 COUPLING27=5.2260
ATOMS28=492,493 COUPLING28=-22.9430
ATOMS29=521,522 COUPLING29=14.5000
ATOMS30=543,544 COUPLING30=16.4780
ATOMS31=565,566 COUPLING31=-37.9860
ATOMS32=586,587 COUPLING32=-3.4290
ATOMS33=600,601 COUPLING33=3.8040
ATOMS34=612,613 COUPLING34=5.4760
ATOMS35=624,625 COUPLING35=-11.6040
ATOMS36=641,642 COUPLING36=11.7480
ATOMS37=658,659 COUPLING37=12.5700
ATOMS38=682,683 COUPLING38=14.8130
ATOMS39=701,702 COUPLING39=16.8520
ATOMS40=720,721 COUPLING40=17.0260
ATOMS41=740,741 COUPLING41=16.8020
ATOMS42=757,758 COUPLING42=-14.5340
ATOMS43=779,780 COUPLING43=17.0350
ATOMS44=796,797 COUPLING44=2.1020
ATOMS45=815,816 COUPLING45=-36.6040
ATOMS46=830,831 COUPLING46=4.6550
ATOMS47=849,850 COUPLING47=-3.0650
ATOMS48=873,874 COUPLING48=12.8990
ATOMS49=887,888 COUPLING49=-20.8260
ATOMS50=906,907 COUPLING50=8.9290
ATOMS51=929,930 COUPLING51=17.2540
ATOMS52=950,951 COUPLING52=-20.7590
ATOMS53=964,965 COUPLING53=18.9480
ATOMS54=983,984 COUPLING54=5.4260
ATOMS55=1000,1001 COUPLING55=6.7040
ATOMS56=1022,1023 COUPLING56=6.7840
ATOMS57=1037,1038 COUPLING57=25.4700
ATOMS58=1048,1049 COUPLING58=26.9410
ATOMS59=1062,1063 COUPLING59=23.7840
ATOMS60=1081,1082 COUPLING60=17.0500
ATOMS61=1098,1099 COUPLING61=15.7550
ATOMS62=1117,1118 COUPLING62=13.8650
LABEL=caha
... DIPOLARCOUPLING

DIPOLARCOUPLING ...
GYROM=-18.2385
SCALE=1.0
CORRELATION
ATOMS1=18,20 COUPLING1=-0.816
ATOMS2=35,37 COUPLING2=2.106
ATOMS3=54,56 COUPLING3=-0.142
ATOMS4=74,76 COUPLING4=0.795
ATOMS5=90,92 COUPLING5=-0.48
ATOMS6=112,114 COUPLING6=0.106
ATOMS7=126,128 COUPLING7=2.03
ATOMS8=166,168 COUPLING8=-0.963
ATOMS9=188,190 COUPLING9=1.763
ATOMS10=202,204 COUPLING10=-0.732
ATOMS11=221,223 COUPLING11=0.477
ATOMS12=235,237 COUPLING12=-0.533
ATOMS13=254,256 COUPLING13=-0.756
ATOMS14=269,271 COUPLING14=-0.697
ATOMS15=285,287 COUPLING15=-0.81
ATOMS16=314,316 COUPLING16=-1.026
ATOMS17=325,327 COUPLING17=-0.522
ATOMS18=351,353 COUPLING18=0.258
ATOMS19=385,387 COUPLING19=2.523
ATOMS20=399,401 COUPLING20=-1.161
ATOMS21=415,417 COUPLING21=1.146
ATOMS22=437,439 COUPLING22=-0.206
ATOMS23=447,449 COUPLING23=1.023
ATOMS24=469,471 COUPLING24=-0.131
ATOMS25=488,490 COUPLING25=-0.578
ATOMS26=505,507 COUPLING26=2.014
ATOMS27=517,519 COUPLING27=-1.116
ATOMS28=539,541 COUPLING28=0.398
ATOMS29=554,556 COUPLING29=-0.867
ATOMS30=561,563 COUPLING30=-0.915
ATOMS31=608,610 COUPLING31=1.425
ATOMS32=620,622 COUPLING32=-0.792
ATOMS33=637,639 COUPLING33=1.895
ATOMS34=654,656 COUPLING34=-1.146
ATOMS35=678,680 COUPLING35=1.391
ATOMS36=697,699 COUPLING36=-0.748
ATOMS37=716,718 COUPLING37=-0.174
ATOMS38=736,738 COUPLING38=-0.887
ATOMS39=746,748 COUPLING39=1.567
ATOMS40=753,755 COUPLING40=0.012
ATOMS41=775,777 COUPLING41=0.97
ATOMS42=792,794 COUPLING42=-0.773
ATOMS43=811,813 COUPLING43=-0.377
ATOMS44=826,828 COUPLING44=0.089
ATOMS45=845,847 COUPLING45=-0.963
ATOMS46=869,871 COUPLING46=1.946
ATOMS47=883,885 COUPLING47=-0.31
ATOMS48=902,904 COUPLING48=0.795
ATOMS49=913,915 COUPLING49=1.212
ATOMS50=925,927 COUPLING50=-0.621
ATOMS51=946,948 COUPLING51=2.017
ATOMS52=960,962 COUPLING52=-0.684
ATOMS53=979,981 COUPLING53=-0.443
ATOMS54=996,998 COUPLING54=1.373
ATOMS55=1018,1020 COUPLING55=0.036
ATOMS56=1033,1035 COUPLING56=-0.301
ATOMS57=1044,1046 COUPLING57=0.649
ATOMS58=1058,1060 COUPLING58=-0.389
ATOMS59=1077,1079 COUPLING59=1.188
ATOMS60=1094,1096 COUPLING60=-0.258
ATOMS61=1113,1115 COUPLING61=0.375
#ATOMS62=1129,1131 COUPLING62=1.43
#ATOMS63=1148,1150 COUPLING63=-0.65
#ATOMS64=1172,1174 COUPLING64=0.82
#ATOMS65=1191,1193 COUPLING65=-0.34
#ATOMS66=1215,1217 COUPLING66=0.39
#ATOMS67=1222,1224 COUPLING67=0.49
LABEL=cn
... DIPOLARCOUPLING

DIPOLARCOUPLING ...
GYROM=179.9319
SCALE=1.0
CORRELATION
ATOMS1=18,21 COUPLING1=1.608
ATOMS2=35,38 COUPLING2=-2.927
ATOMS3=54,57 COUPLING3=2.066
ATOMS4=74,77 COUPLING4=1.343
ATOMS5=90,93 COUPLING5=2.683
ATOMS6=112,115 COUPLING6=1.73
ATOMS7=126,129 COUPLING7=-1.128
ATOMS8=166,169 COUPLING8=1.057
ATOMS9=188,191 COUPLING9=-1.491
ATOMS10=202,205 COUPLING10=1.933
ATOMS11=221,224 COUPLING11=1.481
ATOMS12=235,238 COUPLING12=1.874
ATOMS13=254,257 COUPLING13=3.199
ATOMS14=269,272 COUPLING14=0.896
ATOMS15=285,288 COUPLING15=0.442
ATOMS16=314,317 COUPLING16=0.783
ATOMS17=325,328 COUPLING17=2.076
ATOMS18=351,354 COUPLING18=2.228
ATOMS19=385,388 COUPLING19=-3.881
ATOMS20=399,402 COUPLING20=3.717
ATOMS21=415,418 COUPLING21=0.428
ATOMS22=437,440 COUPLING22=-0.282
ATOMS23=447,450 COUPLING23=-0.815
ATOMS24=469,472 COUPLING24=2.36
ATOMS25=488,491 COUPLING25=2.888
ATOMS26=505,508 COUPLING26=-3.772
ATOMS27=517,520 COUPLING27=2.723
ATOMS28=539,542 COUPLING28=1.986
ATOMS29=554,557 COUPLING29=0.433
ATOMS30=561,564 COUPLING30=-1.019
ATOMS31=608,611 COUPLING31=-0.012
ATOMS32=620,623 COUPLING32=1.97
ATOMS33=637,640 COUPLING33=-2.032
ATOMS34=654,657 COUPLING34=2.815
ATOMS35=678,681 COUPLING35=-0.11
ATOMS36=697,700 COUPLING36=2.554
ATOMS37=716,719 COUPLING37=2.326
ATOMS38=736,739 COUPLING38=1.547
ATOMS39=746,749 COUPLING39=-0.448
ATOMS40=753,756 COUPLING40=-2.255
ATOMS41=775,778 COUPLING41=-1.941
ATOMS42=792,795 COUPLING42=2.437
ATOMS43=811,814 COUPLING43=-0.641
ATOMS44=826,829 COUPLING44=-3.451
ATOMS45=845,848 COUPLING45=1.361
ATOMS46=869,872 COUPLING46=-2.759
ATOMS47=883,886 COUPLING47=2.312
ATOMS48=902,905 COUPLING48=-0.237
ATOMS49=913,916 COUPLING49=-0.97
ATOMS50=925,928 COUPLING50=3.004
ATOMS51=946,949 COUPLING51=-2.136
ATOMS52=960,963 COUPLING52=1.996
ATOMS53=979,982 COUPLING53=2.422
ATOMS54=996,999 COUPLING54=-5.048
ATOMS55=1018,1021 COUPLING55=1.908
ATOMS56=1033,1036 COUPLING56=2.365
ATOMS57=1044,1047 COUPLING57=1.784
ATOMS58=1058,1061 COUPLING58=2.897
ATOMS59=1077,1080 COUPLING59=0.281
ATOMS60=1094,1097 COUPLING60=1.59
ATOMS61=1113,1116 COUPLING61=1.261
#ATOMS62=1129,1132 COUPLING62=-2.42
#ATOMS63=1148,1151 COUPLING63=2.60
#ATOMS64=1172,1175 COUPLING64=0.57
#ATOMS65=1191,1194 COUPLING65=1.35
#ATOMS66=1222,1225 COUPLING66=-0.77
LABEL=chn
... DIPOLARCOUPLING

DIPOLARCOUPLING ...
GYROM=45.2404
SCALE=1.0
CORRELATION
ATOMS1=5,18 COUPLING1=-2.42
ATOMS2=22,35 COUPLING2=0.613
ATOMS3=39,54 COUPLING3=-1.055
ATOMS4=58,74 COUPLING4=-2.473
ATOMS5=78,90 COUPLING5=-0.279
ATOMS6=94,112 COUPLING6=-3.134
ATOMS7=116,126 COUPLING7=0.164
ATOMS8=149,159 COUPLING8=-1.594
ATOMS9=163,166 COUPLING9=-0.889
ATOMS10=192,202 COUPLING10=1.532
ATOMS11=206,221 COUPLING11=-2.609
ATOMS12=225,235 COUPLING12=1.769
ATOMS13=239,254 COUPLING13=-3.139
ATOMS14=258,269 COUPLING14=1.096
ATOMS15=273,285 COUPLING15=-2.139
ATOMS16=306,314 COUPLING16=0.518
ATOMS17=318,325 COUPLING17=-2.197
ATOMS18=329,337 COUPLING18=-0.73
ATOMS19=341,351 COUPLING19=-0.596
ATOMS20=374,385 COUPLING20=0.769
ATOMS21=389,399 COUPLING21=1.414
ATOMS22=403,415 COUPLING22=-2.46
ATOMS23=419,437 COUPLING23=2.492
ATOMS24=441,447 COUPLING24=0.451
ATOMS25=451,469 COUPLING25=-0.269
ATOMS26=473,488 COUPLING26=-0.695
ATOMS27=492,505 COUPLING27=1.361
ATOMS28=509,517 COUPLING28=1.297
ATOMS29=521,539 COUPLING29=-2.416
ATOMS30=543,554 COUPLING30=-2.354
ATOMS31=558,561 COUPLING31=-0.225
ATOMS32=600,608 COUPLING32=-0.587
ATOMS33=612,620 COUPLING33=0.714
ATOMS34=624,637 COUPLING34=-0.373
ATOMS35=658,678 COUPLING35=-1.944
ATOMS36=682,697 COUPLING36=2.246
ATOMS37=720,736 COUPLING37=2.34
ATOMS38=740,746 COUPLING38=-1.573
ATOMS39=750,753 COUPLING39=1.165
ATOMS40=757,775 COUPLING40=1.997
ATOMS41=779,792 COUPLING41=-0.735
ATOMS42=796,811 COUPLING42=0.67
ATOMS43=815,826 COUPLING43=1.165
ATOMS44=842,845 COUPLING44=-2.013
ATOMS45=873,883 COUPLING45=1.872
ATOMS46=887,902 COUPLING46=-0.23
ATOMS47=906,913 COUPLING47=1.112
ATOMS48=917,925 COUPLING48=1.188
ATOMS49=929,946 COUPLING49=-0.944
ATOMS50=950,960 COUPLING50=1.578
ATOMS51=964,979 COUPLING51=-2.467
ATOMS52=1000,1018 COUPLING52=0.797
ATOMS53=1022,1033 COUPLING53=-0.917
ATOMS54=1037,1044 COUPLING54=-1.881
ATOMS55=1048,1058 COUPLING55=-1.135
ATOMS56=1062,1077 COUPLING56=-1.868
ATOMS57=1081,1094 COUPLING57=-0.143
ATOMS58=1098,1113 COUPLING58=-3.068
ATOMS59=1117,1129 COUPLING59=0.40
#ATOMS60=1133,1148 COUPLING60=-0.75
#ATOMS61=1152,1172 COUPLING61=-1.43
#ATOMS62=1176,1191 COUPLING62=-0.12
#ATOMS63=1195,1215 COUPLING63=-0.26
#ATOMS64=1219,1222 COUPLING64=0.15
LABEL=cac
... DIPOLARCOUPLING

rdc: COMBINE ARG=nh,caha,cn,chn,cac COEFFICIENTS=1.0,1.0,1.0,1.0,1.0 PERIODIC=NO
rdce: RESTRAINT ARG=rdc KAPPA=0. SLOPE=-25000.0 AT=6.
abbe: RESTRAINT ARG=abb KAPPA=2500. SLOPE=0.0 AT=75.

PRINT ARG=nh,caha,cn,chn,cac,rdc,abb,abbe.bias FILE=COLVAR STRIDE=100

FLUSH STRIDE=1

ENDPLUMED

  Entry H atom name         Submitted Coord H atom name
    1    H1   MET   1           H1       MET   1  45.114  19.358  12.163
    2    H2   MET   1           H2       MET   1  45.386  20.980  12.386
    3    H3   MET   1           H3       MET   1  45.369  19.900  13.705
    4    HA   MET   1           HA       MET   1  43.363  21.256  12.148
    5    HB2  MET   1           HB1      MET   1  41.503  19.821  12.511
    6    HB3  MET   1           HB2      MET   1  42.837  19.190  11.518
    7    HG2  MET   1           HG1      MET   1  41.813  17.516  12.711
    8    HG3  MET   1           HG2      MET   1  43.596  17.701  13.251
    9    HE1  MET   1           HE1      MET   1  41.566  15.728  15.107
   10    HE2  MET   1           HE2      MET   1  43.262  16.225  15.557
   11    HE3  MET   1           HE3      MET   1  41.815  16.583  16.670
   12    H    GLN   2           HN       GLN   2  41.593  22.062  13.651
   13    HA   GLN   2           HA       GLN   2  42.760  22.688  16.188
   14    HB2  GLN   2           HB1      GLN   2  40.462  23.972  14.648
   15    HB3  GLN   2           HB2      GLN   2  41.003  24.578  16.253
   16    HG2  GLN   2           HG1      GLN   2  43.215  25.175  15.466
   17    HG3  GLN   2           HG2      GLN   2  42.853  24.907  13.786
   18   HE21  GLN   2          1HE2      GLN   2  41.294  26.136  12.613
   19   HE22  GLN   2          2HE2      GLN   2  40.748  27.643  13.272
   20    H    ILE   3           HN       ILE   3  41.543  22.611  18.017
   21    HA   ILE   3           HA       ILE   3  38.952  21.282  18.287
   22    HB   ILE   3           HB       ILE   3  39.709  19.846  20.106
   23   HG12  ILE   3          1HG1      ILE   3  42.537  20.772  19.362
   24   HG13  ILE   3          2HG1      ILE   3  41.516  21.028  20.911
   25   HG21  ILE   3          1HG2      ILE   3  40.528  18.060  18.772
   26   HG22  ILE   3          2HG2      ILE   3  39.572  18.978  17.668
   27   HG23  ILE   3          3HG2      ILE   3  41.321  19.178  17.494
   28   HD11  ILE   3          HD3       ILE   3  41.649  18.957  21.701
   29   HD12  ILE   3          HD1       ILE   3  42.308  18.277  20.200
   30   HD13  ILE   3          HD2       ILE   3  43.348  19.319  21.131
   31    H    PHE   4           HN       PHE   4  38.013  21.463  20.398
   32    HA   PHE   4           HA       PHE   4  38.672  24.111  21.548
   33    HB2  PHE   4           HB1      PHE   4  36.010  22.550  21.201
   34    HB3  PHE   4           HB2      PHE   4  36.273  24.061  22.130
   35    HD1  PHE   4           HD2      PHE   4  37.504  25.939  20.629
   36    HD2  PHE   4           HD1      PHE   4  35.107  22.739  19.297
   37    HE1  PHE   4           HE2      PHE   4  36.822  27.351  18.793
   38    HE2  PHE   4           HE1      PHE   4  34.515  24.160  17.210
   39    HZ   PHE   4           HZ       PHE   4  35.510  26.377  17.002
   40    H    VAL   5           HN       VAL   5  39.162  24.196  23.769
   41    HA   VAL   5           HA       VAL   5  38.539  21.710  25.256
   42    HB   VAL   5           HB       VAL   5  40.849  23.436  25.952
   43   HG11  VAL   5          1HG1      VAL   5  41.287  21.443  27.362
   44   HG12  VAL   5          2HG1      VAL   5  39.720  22.248  27.747
   45   HG13  VAL   5          3HG1      VAL   5  39.681  20.752  26.751
   46   HG21  VAL   5          3HG2      VAL   5  40.748  20.752  24.325
   47   HG22  VAL   5          1HG2      VAL   5  41.519  22.347  23.815
   48   HG23  VAL   5          2HG2      VAL   5  42.201  21.471  25.158
   49    H    LYS   6           HN       LYS   6  36.804  22.097  26.450
   50    HA   LYS   6           HA       LYS   6  36.251  24.810  27.308
   51    HB2  LYS   6           HB1      LYS   6  34.518  23.303  26.324
   52    HB3  LYS   6           HB2      LYS   6  34.693  22.121  27.490
   53    HG2  LYS   6           HG1      LYS   6  33.418  23.645  29.093
   54    HG3  LYS   6           HG2      LYS   6  33.913  25.097  28.115
   55    HD2  LYS   6           HD1      LYS   6  32.522  24.107  26.235
   56    HD3  LYS   6           HD2      LYS   6  31.775  22.998  27.384
   57    HE2  LYS   6           HE1      LYS   6  31.176  24.951  29.020
   58    HE3  LYS   6           HE2      LYS   6  31.683  26.051  27.739
   59    HZ1  LYS   6           HZ1      LYS   6  30.159  25.067  26.283
   60    HZ2  LYS   6           HZ2      LYS   6  29.797  23.771  27.276
   61    HZ3  LYS   6           HZ3      LYS   6  29.174  25.312  27.586
   62    H    THR   7           HN       THR   7  36.617  25.435  29.339
   63    HA   THR   7           HA       THR   7  37.637  23.543  31.228
   64    HB   THR   7           HB       THR   7  38.596  25.122  32.448
   65    HG1  THR   7           HG1      THR   7  38.271  27.288  32.110
   66   HG21  THR   7          3HG2      THR   7  39.934  26.367  30.679
   67   HG22  THR   7          1HG2      THR   7  39.696  24.715  30.132
   68   HG23  THR   7          2HG2      THR   7  38.646  26.116  29.522
   69    H    LEU   8           HN       LEU   8  36.926  23.441  33.517
   70    HA   LEU   8           HA       LEU   8  34.383  23.533  34.071
   71    HB2  LEU   8           HB1      LEU   8  36.774  24.267  35.924
   72    HB3  LEU   8           HB2      LEU   8  35.153  23.795  36.508
   73    HG   LEU   8           HG       LEU   8  36.945  21.902  35.067
   74   HD11  LEU   8          1HD1      LEU   8  35.789  21.825  37.923
   75   HD12  LEU   8          2HD1      LEU   8  36.862  20.645  37.303
   76   HD13  LEU   8          3HD1      LEU   8  37.519  22.347  37.540
   77   HD21  LEU   8          3HD2      LEU   8  35.208  20.171  35.577
   78   HD22  LEU   8          1HD2      LEU   8  34.184  21.510  36.311
   79   HD23  LEU   8          2HD2      LEU   8  34.447  21.463  34.590
   80    H    THR   9           HN       THR   9  36.441  26.522  34.076
   81    HA   THR   9           HA       THR   9  34.232  27.836  35.260
   82    HB   THR   9           HB       THR   9  35.611  29.889  35.189
   83    HG1  THR   9           HG1      THR   9  37.852  29.211  34.687
   84   HG21  THR   9          3HG2      THR   9  35.589  28.532  37.166
   85   HG22  THR   9          1HG2      THR   9  36.952  27.470  36.447
   86   HG23  THR   9          2HG2      THR   9  37.284  29.125  36.734
   87    H    GLY  10           HN       GLY  10  33.949  26.638  32.679
   88    HA2  GLY  10           HA1      GLY  10  32.600  27.172  30.936
   89    HA3  GLY  10           HA2      GLY  10  32.474  28.769  31.580
   90    H    LYS  11           HN       LYS  11  35.827  28.414  31.064
   91    HA   LYS  11           HA       LYS  11  35.639  30.068  28.723
   92    HB2  LYS  11           HB1      LYS  11  37.060  30.417  30.732
   93    HB3  LYS  11           HB2      LYS  11  37.988  29.013  30.364
   94    HG2  LYS  11           HG1      LYS  11  38.765  30.128  28.118
   95    HG3  LYS  11           HG2      LYS  11  37.735  31.538  28.636
   96    HD2  LYS  11           HD1      LYS  11  40.039  31.989  28.971
   97    HD3  LYS  11           HD2      LYS  11  39.253  32.055  30.489
   98    HE2  LYS  11           HE1      LYS  11  39.930  29.798  31.192
   99    HE3  LYS  11           HE2      LYS  11  40.822  29.589  29.617
  100    HZ1  LYS  11           HZ1      LYS  11  42.344  30.304  31.215
  101    HZ2  LYS  11           HZ2      LYS  11  42.144  31.623  30.241
  102    HZ3  LYS  11           HZ3      LYS  11  41.423  31.630  31.770
  103    H    THR  12           HN       THR  12  36.393  29.651  26.631
  104    HA   THR  12           HA       THR  12  36.965  26.832  26.247
  105    HB   THR  12           HB       THR  12  35.593  28.761  24.430
  106    HG1  THR  12           HG1      THR  12  34.330  27.579  25.958
  107   HG21  THR  12          3HG2      THR  12  35.406  26.515  23.175
  108   HG22  THR  12          1HG2      THR  12  36.861  27.605  22.806
  109   HG23  THR  12          2HG2      THR  12  37.102  26.232  23.872
  110    H    ILE  13           HN       ILE  13  38.924  26.254  25.777
  111    HA   ILE  13           HA       ILE  13  40.829  28.291  24.855
  112    HB   ILE  13           HB       ILE  13  41.446  25.582  25.907
  113   HG12  ILE  13          1HG1      ILE  13  41.617  28.112  27.546
  114   HG13  ILE  13          2HG1      ILE  13  40.231  27.075  27.599
  115   HG21  ILE  13          1HG2      ILE  13  43.278  26.436  24.537
  116   HG22  ILE  13          2HG2      ILE  13  42.992  28.036  25.141
  117   HG23  ILE  13          3HG2      ILE  13  43.766  26.864  26.249
  118   HD11  ILE  13          HD3       ILE  13  41.553  25.193  28.392
  119   HD12  ILE  13          HD1       ILE  13  43.101  26.135  28.313
  120   HD13  ILE  13          HD2       ILE  13  41.912  26.659  29.493
  121    H    THR  14           HN       THR  14  42.050  28.082  22.917
  122    HA   THR  14           HA       THR  14  40.768  26.000  21.304
  123    HB   THR  14           HB       THR  14  42.324  28.353  20.124
  124    HG1  THR  14           HG1      THR  14  40.415  29.052  21.406
  125   HG21  THR  14          3HG2      THR  14  41.929  26.453  18.528
  126   HG22  THR  14          1HG2      THR  14  40.266  26.505  18.843
  127   HG23  THR  14          2HG2      THR  14  40.994  27.881  18.074
  128    H    LEU  15           HN       LEU  15  42.119  24.490  20.496
  129    HA   LEU  15           HA       LEU  15  44.976  24.980  20.497
  130    HB2  LEU  15           HB1      LEU  15  43.518  22.356  21.028
  131    HB3  LEU  15           HB2      LEU  15  45.292  22.501  20.844
  132    HG   LEU  15           HG       LEU  15  43.548  23.734  23.068
  133   HD11  LEU  15          1HD1      LEU  15  43.857  21.361  23.297
  134   HD12  LEU  15          2HD1      LEU  15  45.682  21.523  23.169
  135   HD13  LEU  15          3HD1      LEU  15  44.809  22.237  24.600
  136   HD21  LEU  15          3HD2      LEU  15  45.492  25.294  22.655
  137   HD22  LEU  15          1HD2      LEU  15  45.827  24.413  24.182
  138   HD23  LEU  15          2HD2      LEU  15  46.559  23.729  22.757
  139    H    GLU  16           HN       GLU  16  46.311  24.164  19.044
  140    HA   GLU  16           HA       GLU  16  45.070  23.036  16.754
  141    HB2  GLU  16           HB1      GLU  16  46.219  25.361  16.488
  142    HB3  GLU  16           HB2      GLU  16  47.714  24.431  17.031
  143    HG2  GLU  16           HG1      GLU  16  47.450  23.037  14.973
  144    HG3  GLU  16           HG2      GLU  16  45.855  23.848  14.603
  145    H    VAL  17           HN       VAL  17  45.411  20.825  16.536
  146    HA   VAL  17           HA       VAL  17  47.894  19.798  17.584
  147    HB   VAL  17           HB       VAL  17  46.230  17.807  18.432
  148   HG11  VAL  17          1HG1      VAL  17  47.118  19.433  20.123
  149   HG12  VAL  17          2HG1      VAL  17  45.909  20.640  19.655
  150   HG13  VAL  17          3HG1      VAL  17  45.341  19.118  20.434
  151   HG21  VAL  17          3HG2      VAL  17  44.098  17.872  18.279
  152   HG22  VAL  17          1HG2      VAL  17  43.893  19.596  18.419
  153   HG23  VAL  17          2HG2      VAL  17  44.434  18.770  16.826
  154    H    GLU  18           HN       GLU  18  47.901  17.324  16.978
  155    HA   GLU  18           HA       GLU  18  47.159  17.199  14.180
  156    HB2  GLU  18           HB1      GLU  18  49.528  17.836  14.415
  157    HB3  GLU  18           HB2      GLU  18  49.836  16.354  15.244
  158    HG2  GLU  18           HG1      GLU  18  49.337  15.011  13.325
  159    HG3  GLU  18           HG2      GLU  18  48.686  16.372  12.338
  160    HA   PRO  19           HA       PRO  19  45.296  13.595  15.928
  161    HB2  PRO  19           HB1      PRO  19  45.860  11.911  13.566
  162    HB3  PRO  19           HB2      PRO  19  44.354  12.255  14.392
  163    HG2  PRO  19           HG1      PRO  19  45.068  13.580  12.096
  164    HG3  PRO  19           HG2      PRO  19  43.890  14.218  13.266
  165    HD2  PRO  19           HD1      PRO  19  46.779  14.917  12.651
  166    HD3  PRO  19           HD2      PRO  19  45.444  15.950  13.695
  167    H    SER  20           HN       SER  20  48.498  13.099  14.949
  168    HA   SER  20           HA       SER  20  48.713  10.671  16.320
  169    HB2  SER  20           HB1      SER  20  50.915  12.481  15.202
  170    HB3  SER  20           HB2      SER  20  51.018  10.643  15.431
  171    HG   SER  20           HG1      SER  20  49.545  10.340  14.034
  172    H    ASP  21           HN       ASP  21  49.059  14.009  17.517
  173    HA   ASP  21           HA       ASP  21  50.985  13.653  19.300
  174    HB2  ASP  21           HB1      ASP  21  48.393  15.274  19.619
  175    HB3  ASP  21           HB2      ASP  21  49.970  15.458  20.535
  176    H    THR  22           HN       THR  22  51.057  12.798  21.535
  177    HA   THR  22           HA       THR  22  48.942  11.091  22.478
  178    HB   THR  22           HB       THR  22  50.556  10.887  24.450
  179    HG1  THR  22           HG1      THR  22  52.587  11.897  23.915
  180   HG21  THR  22          3HG2      THR  22  50.906   9.268  22.660
  181   HG22  THR  22          1HG2      THR  22  52.001  10.646  21.846
  182   HG23  THR  22          2HG2      THR  22  52.350   9.805  23.287
  183    H    ILE  23           HN       ILE  23  47.768  11.477  24.271
  184    HA   ILE  23           HA       ILE  23  46.957  13.977  24.958
  185    HB   ILE  23           HB       ILE  23  46.942  11.332  26.372
  186   HG12  ILE  23          1HG1      ILE  23  45.616  11.428  24.422
  187   HG13  ILE  23          2HG1      ILE  23  44.681  11.098  25.955
  188   HG21  ILE  23          1HG2      ILE  23  46.757  12.779  28.342
  189   HG22  ILE  23          2HG2      ILE  23  45.575  13.831  27.419
  190   HG23  ILE  23          3HG2      ILE  23  45.054  12.215  27.858
  191   HD11  ILE  23          HD3       ILE  23  44.769  14.011  24.532
  192   HD12  ILE  23          HD1       ILE  23  43.554  12.871  24.174
  193   HD13  ILE  23          HD2       ILE  23  43.784  13.435  25.834
  194    H    GLU  24           HN       GLU  24  49.876  12.746  26.134
  195    HA   GLU  24           HA       GLU  24  49.928  14.571  28.328
  196    HB2  GLU  24           HB1      GLU  24  52.069  14.085  28.793
  197    HB3  GLU  24           HB2      GLU  24  51.093  12.755  28.620
  198    HG2  GLU  24           HG1      GLU  24  51.816  11.831  26.679
  199    HG3  GLU  24           HG2      GLU  24  52.496  13.296  25.995
  200    H    ASN  25           HN       ASN  25  50.399  14.891  24.912
  201    HA   ASN  25           HA       ASN  25  52.174  17.130  24.938
  202    HB2  ASN  25           HB1      ASN  25  52.089  15.422  23.086
  203    HB3  ASN  25           HB2      ASN  25  50.505  16.189  22.565
  204   HD21  ASN  25          1HD2      ASN  25  53.748  16.149  21.794
  205   HD22  ASN  25          2HD2      ASN  25  53.828  17.709  21.110
  206    H    VAL  26           HN       VAL  26  48.720  16.466  24.740
  207    HA   VAL  26           HA       VAL  26  47.938  19.132  24.113
  208    HB   VAL  26           HB       VAL  26  46.309  16.898  25.368
  209   HG11  VAL  26          1HG1      VAL  26  45.169  19.217  25.194
  210   HG12  VAL  26          2HG1      VAL  26  45.466  19.066  23.396
  211   HG13  VAL  26          3HG1      VAL  26  44.424  17.892  24.274
  212   HG21  VAL  26          3HG2      VAL  26  46.698  17.134  22.254
  213   HG22  VAL  26          1HG2      VAL  26  47.596  16.123  23.309
  214   HG23  VAL  26          2HG2      VAL  26  45.766  15.999  23.191
  215    H    LYS  27           HN       LYS  27  48.139  17.274  27.091
  216    HA   LYS  27           HA       LYS  27  47.125  19.453  28.750
  217    HB2  LYS  27           HB1      LYS  27  49.017  17.081  29.269
  218    HB3  LYS  27           HB2      LYS  27  48.474  18.331  30.432
  219    HG2  LYS  27           HG1      LYS  27  46.070  17.440  30.167
  220    HG3  LYS  27           HG2      LYS  27  46.718  16.546  28.718
  221    HD2  LYS  27           HD1      LYS  27  48.026  14.945  30.168
  222    HD3  LYS  27           HD2      LYS  27  47.768  16.128  31.489
  223    HE2  LYS  27           HE1      LYS  27  45.382  15.378  31.530
  224    HE3  LYS  27           HE2      LYS  27  45.766  14.321  30.026
  225    HZ1  LYS  27           HZ1      LYS  27  45.806  12.969  31.943
  226    HZ2  LYS  27           HZ2      LYS  27  47.413  13.129  31.300
  227    HZ3  LYS  27           HZ3      LYS  27  46.989  13.836  32.731
  228    H    ALA  28           HN       ALA  28  50.164  18.739  27.445
  229    HA   ALA  28           HA       ALA  28  51.593  20.669  29.031
  230    HB1  ALA  28           HB1      ALA  28  53.537  20.283  27.657
  231    HB2  ALA  28           HB2      ALA  28  52.739  18.717  27.562
  232    HB3  ALA  28           HB3      ALA  28  52.600  19.883  26.197
  233    H    LYS  29           HN       LYS  29  49.899  20.931  25.979
  234    HA   LYS  29           HA       LYS  29  50.848  23.603  25.504
  235    HB2  LYS  29           HB1      LYS  29  48.587  21.770  24.493
  236    HB3  LYS  29           HB2      LYS  29  48.554  23.463  24.001
  237    HG2  LYS  29           HG1      LYS  29  50.800  23.496  23.108
  238    HG3  LYS  29           HG2      LYS  29  51.012  21.802  23.219
  239    HD2  LYS  29           HD1      LYS  29  49.264  21.360  21.600
  240    HD3  LYS  29           HD2      LYS  29  48.610  22.936  21.683
  241    HE2  LYS  29           HE1      LYS  29  50.363  23.850  20.274
  242    HE3  LYS  29           HE2      LYS  29  51.606  22.707  20.924
  243    HZ1  LYS  29           HZ1      LYS  29  49.415  22.271  18.869
  244    HZ2  LYS  29           HZ2      LYS  29  51.129  22.340  18.759
  245    HZ3  LYS  29           HZ3      LYS  29  50.400  21.031  19.571
  246    H    ILE  30           HN       ILE  30  47.990  22.077  27.021
  247    HA   ILE  30           HA       ILE  30  46.716  24.463  27.623
  248    HB   ILE  30           HB       ILE  30  46.509  22.026  29.188
  249   HG12  ILE  30          1HG1      ILE  30  44.804  23.391  26.971
  250   HG13  ILE  30          2HG1      ILE  30  45.891  22.060  26.673
  251   HG21  ILE  30          1HG2      ILE  30  45.201  24.764  29.357
  252   HG22  ILE  30          2HG2      ILE  30  44.406  23.226  30.017
  253   HG23  ILE  30          3HG2      ILE  30  45.876  23.747  30.715
  254   HD11  ILE  30          HD3       ILE  30  43.475  21.330  27.116
  255   HD12  ILE  30          HD1       ILE  30  44.793  20.422  27.872
  256   HD13  ILE  30          HD2       ILE  30  43.829  21.450  28.881
  257    H    GLN  31           HN       GLN  31  49.510  22.955  29.177
  258    HA   GLN  31           HA       GLN  31  49.588  24.742  31.402
  259    HB2  GLN  31           HB1      GLN  31  50.785  22.640  31.520
  260    HB3  GLN  31           HB2      GLN  31  51.840  23.264  30.181
  261    HG2  GLN  31           HG1      GLN  31  52.559  25.141  31.956
  262    HG3  GLN  31           HG2      GLN  31  51.403  24.542  33.080
  263   HE21  GLN  31          1HE2      GLN  31  54.072  23.187  30.979
  264   HE22  GLN  31          2HE2      GLN  31  54.830  22.379  32.245
  265    H    ASP  32           HN       ASP  32  51.260  25.025  28.199
  266    HA   ASP  32           HA       ASP  32  52.689  27.375  29.023
  267    HB2  ASP  32           HB1      ASP  32  52.163  26.076  26.352
  268    HB3  ASP  32           HB2      ASP  32  52.815  27.656  26.365
  269    H    LYS  33           HN       LYS  33  49.471  26.965  28.245
  270    HA   LYS  33           HA       LYS  33  49.147  29.845  27.467
  271    HB2  LYS  33           HB1      LYS  33  48.296  27.974  25.933
  272    HB3  LYS  33           HB2      LYS  33  47.291  27.470  27.352
  273    HG2  LYS  33           HG1      LYS  33  45.777  28.582  25.998
  274    HG3  LYS  33           HG2      LYS  33  46.036  29.759  27.229
  275    HD2  LYS  33           HD1      LYS  33  48.053  30.581  25.718
  276    HD3  LYS  33           HD2      LYS  33  47.355  29.556  24.459
  277    HE2  LYS  33           HE1      LYS  33  45.998  31.955  25.892
  278    HE3  LYS  33           HE2      LYS  33  46.701  31.928  24.190
  279    HZ1  LYS  33           HZ1      LYS  33  44.291  31.736  23.839
  280    HZ2  LYS  33           HZ2      LYS  33  44.919  30.234  23.778
  281    HZ3  LYS  33           HZ3      LYS  33  44.227  30.779  25.181
  282    H    GLU  34           HN       GLU  34  47.862  27.340  29.743
  283    HA   GLU  34           HA       GLU  34  46.708  29.562  31.274
  284    HB2  GLU  34           HB1      GLU  34  46.350  26.613  31.251
  285    HB3  GLU  34           HB2      GLU  34  45.475  27.775  32.304
  286    HG2  GLU  34           HG1      GLU  34  45.402  27.699  29.242
  287    HG3  GLU  34           HG2      GLU  34  44.236  26.899  30.517
  288    H    GLY  35           HN       GLY  35  49.405  27.608  31.643
  289    HA2  GLY  35           HA1      GLY  35  50.723  27.271  33.334
  290    HA3  GLY  35           HA2      GLY  35  49.883  28.359  34.350
  291    H    ILE  36           HN       ILE  36  48.058  25.529  33.313
  292    HA   ILE  36           HA       ILE  36  47.674  24.631  35.958
  293    HB   ILE  36           HB       ILE  36  46.516  23.625  33.375
  294   HG12  ILE  36          1HG1      ILE  36  45.529  25.883  35.267
  295   HG13  ILE  36          2HG1      ILE  36  46.055  26.109  33.612
  296   HG21  ILE  36          1HG2      ILE  36  46.295  22.219  35.439
  297   HG22  ILE  36          2HG2      ILE  36  45.657  23.703  36.311
  298   HG23  ILE  36          3HG2      ILE  36  44.727  22.868  34.953
  299   HD11  ILE  36          HD3       ILE  36  43.513  24.620  34.439
  300   HD12  ILE  36          HD1       ILE  36  43.733  26.074  33.463
  301   HD13  ILE  36          HD2       ILE  36  44.317  24.502  32.772
  302    HA   PRO  37           HA       PRO  37  51.002  21.945  34.850
  303    HB2  PRO  37           HB1      PRO  37  50.027  20.534  37.455
  304    HB3  PRO  37           HB2      PRO  37  51.678  20.583  36.819
  305    HG2  PRO  37           HG1      PRO  37  50.834  22.483  38.671
  306    HG3  PRO  37           HG2      PRO  37  51.606  23.111  37.130
  307    HD2  PRO  37           HD1      PRO  37  48.555  22.886  37.695
  308    HD3  PRO  37           HD2      PRO  37  49.363  24.310  37.085
  309    HA   PRO  38           HA       PRO  38  48.674  18.723  32.965
  310    HB2  PRO  38           HB1      PRO  38  51.426  17.294  33.067
  311    HB3  PRO  38           HB2      PRO  38  50.074  17.214  31.773
  312    HG2  PRO  38           HG1      PRO  38  52.165  18.925  31.401
  313    HG3  PRO  38           HG2      PRO  38  50.467  19.498  31.267
  314    HD2  PRO  38           HD1      PRO  38  52.235  19.800  33.716
  315    HD3  PRO  38           HD2      PRO  38  51.118  20.954  32.806
  316    H    ASP  39           HN       ASP  39  50.526  17.633  35.589
  317    HA   ASP  39           HA       ASP  39  49.078  15.299  36.123
  318    HB2  ASP  39           HB1      ASP  39  50.616  16.825  38.176
  319    HB3  ASP  39           HB2      ASP  39  49.953  15.197  38.437
  320    H    GLN  40           HN       GLN  40  47.877  18.407  36.567
  321    HA   GLN  40           HA       GLN  40  45.829  17.518  38.453
  322    HB2  GLN  40           HB1      GLN  40  47.458  19.689  38.825
  323    HB3  GLN  40           HB2      GLN  40  46.589  20.294  37.355
  324    HG2  GLN  40           HG1      GLN  40  44.467  20.030  38.872
  325    HG3  GLN  40           HG2      GLN  40  45.647  19.739  40.151
  326   HE21  GLN  40          1HE2      GLN  40  47.534  21.504  40.032
  327   HE22  GLN  40          2HE2      GLN  40  46.772  23.125  40.196
  328    H    GLN  41           HN       GLN  41  46.335  17.608  35.072
  329    HA   GLN  41           HA       GLN  41  43.772  18.744  34.775
  330    HB2  GLN  41           HB1      GLN  41  45.920  17.930  32.785
  331    HB3  GLN  41           HB2      GLN  41  44.324  18.551  32.233
  332    HG2  GLN  41           HG1      GLN  41  44.576  20.635  33.304
  333    HG3  GLN  41           HG2      GLN  41  46.209  20.319  33.856
  334   HE21  GLN  41          1HE2      GLN  41  47.685  21.566  32.534
  335   HE22  GLN  41          2HE2      GLN  41  47.752  21.147  30.826
  336    H    ARG  42           HN       ARG  42  41.977  17.417  34.091
  337    HA   ARG  42           HA       ARG  42  42.369  14.748  32.943
  338    HB2  ARG  42           HB1      ARG  42  39.842  15.730  34.443
  339    HB3  ARG  42           HB2      ARG  42  40.183  14.126  33.931
  340    HG2  ARG  42           HG1      ARG  42  42.147  13.920  35.548
  341    HG3  ARG  42           HG2      ARG  42  41.860  15.504  36.089
  342    HD2  ARG  42           HD1      ARG  42  40.621  13.886  37.688
  343    HD3  ARG  42           HD2      ARG  42  39.524  15.060  36.753
  344    HE   ARG  42           HE       ARG  42  40.089  12.628  35.311
  345   HH11  ARG  42          1HH1      ARG  42  38.117  13.686  37.965
  346   HH12  ARG  42          2HH1      ARG  42  37.289  12.192  38.226
  347   HH21  ARG  42          1HH2      ARG  42  39.015  10.580  35.535
  348   HH22  ARG  42          2HH2      ARG  42  37.866  10.478  36.930
  349    H    LEU  43           HN       LEU  43  41.803  14.482  30.776
  350    HA   LEU  43           HA       LEU  43  40.058  16.427  29.795
  351    HB2  LEU  43           HB1      LEU  43  42.206  14.678  28.426
  352    HB3  LEU  43           HB2      LEU  43  41.019  15.733  27.584
  353    HG   LEU  43           HG       LEU  43  42.624  17.163  29.740
  354   HD11  LEU  43          1HD1      LEU  43  43.386  16.475  26.793
  355   HD12  LEU  43          2HD1      LEU  43  44.132  17.805  27.809
  356   HD13  LEU  43          3HD1      LEU  43  44.289  16.061  28.305
  357   HD21  LEU  43          3HD2      LEU  43  41.935  19.003  28.249
  358   HD22  LEU  43          1HD2      LEU  43  41.209  17.819  27.035
  359   HD23  LEU  43          2HD2      LEU  43  40.530  18.138  28.641
  360    H    ILE  44           HN       ILE  44  38.046  15.885  29.033
  361    HA   ILE  44           HA       ILE  44  37.320  13.020  29.320
  362    HB   ILE  44           HB       ILE  44  35.785  15.602  30.037
  363   HG12  ILE  44          1HG1      ILE  44  37.431  15.107  31.866
  364   HG13  ILE  44          2HG1      ILE  44  35.869  14.904  32.382
  365   HG21  ILE  44          1HG2      ILE  44  34.327  13.720  29.080
  366   HG22  ILE  44          2HG2      ILE  44  34.951  12.637  30.372
  367   HG23  ILE  44          3HG2      ILE  44  34.006  14.053  30.764
  368   HD11  ILE  44          HD3       ILE  44  35.953  12.328  32.158
  369   HD12  ILE  44          HD1       ILE  44  37.681  12.452  31.637
  370   HD13  ILE  44          HD2       ILE  44  37.219  13.000  33.187
  371    H    PHE  45           HN       PHE  45  36.022  12.490  27.563
  372    HA   PHE  45           HA       PHE  45  34.962  14.481  25.785
  373    HB2  PHE  45           HB1      PHE  45  37.344  13.779  25.046
  374    HB3  PHE  45           HB2      PHE  45  36.629  12.090  24.840
  375    HD1  PHE  45           HD1      PHE  45  35.930  15.555  23.645
  376    HD2  PHE  45           HD2      PHE  45  35.910  11.368  22.844
  377    HE1  PHE  45           HE1      PHE  45  34.897  15.873  21.505
  378    HE2  PHE  45           HE2      PHE  45  34.954  11.691  20.667
  379    HZ   PHE  45           HZ       PHE  45  34.512  13.998  19.883
  380    H    ALA  46           HN       ALA  46  33.008  13.670  25.222
  381    HA   ALA  46           HA       ALA  46  31.155  12.422  25.675
  382    HB1  ALA  46           HB1      ALA  46  32.103  11.767  23.392
  383    HB2  ALA  46           HB2      ALA  46  32.976  10.473  24.237
  384    HB3  ALA  46           HB3      ALA  46  31.166  10.306  24.198
  385    H    GLY  47           HN       GLY  47  32.221  12.508  28.023
  386    HA2  GLY  47           HA1      GLY  47  32.006  11.639  29.957
  387    HA3  GLY  47           HA2      GLY  47  31.123  10.232  29.360
  388    H    LYS  48           HN       LYS  48  34.274  10.407  28.050
  389    HA   LYS  48           HA       LYS  48  35.085   8.358  29.877
  390    HB2  LYS  48           HB1      LYS  48  34.327   7.757  27.748
  391    HB3  LYS  48           HB2      LYS  48  35.537   8.674  26.847
  392    HG2  LYS  48           HG1      LYS  48  36.253   6.427  26.781
  393    HG3  LYS  48           HG2      LYS  48  37.479   7.414  27.598
  394    HD2  LYS  48           HD1      LYS  48  37.206   5.230  28.659
  395    HD3  LYS  48           HD2      LYS  48  36.656   6.468  29.801
  396    HE2  LYS  48           HE1      LYS  48  34.236   6.067  29.106
  397    HE3  LYS  48           HE2      LYS  48  34.783   4.750  28.019
  398    HZ1  LYS  48           HZ1      LYS  48  34.461   4.941  30.892
  399    HZ2  LYS  48           HZ2      LYS  48  34.375   3.567  29.853
  400    HZ3  LYS  48           HZ3      LYS  48  35.840   4.116  30.471
  401    H    GLN  49           HN       GLN  49  37.179   8.552  30.629
  402    HA   GLN  49           HA       GLN  49  38.608  11.068  30.245
  403    HB2  GLN  49           HB1      GLN  49  38.476   9.845  32.480
  404    HB3  GLN  49           HB2      GLN  49  39.594   8.546  31.801
  405    HG2  GLN  49           HG1      GLN  49  41.277  10.586  31.528
  406    HG3  GLN  49           HG2      GLN  49  39.976  11.605  32.143
  407   HE21  GLN  49          1HE2      GLN  49  41.711   8.472  33.180
  408   HE22  GLN  49          2HE2      GLN  49  41.765   8.976  34.830
  409    H    LEU  50           HN       LEU  50  40.529  11.436  29.377
  410    HA   LEU  50           HA       LEU  50  41.392   9.514  27.429
  411    HB2  LEU  50           HB1      LEU  50  42.391  12.376  27.510
  412    HB3  LEU  50           HB2      LEU  50  42.450  11.147  26.181
  413    HG   LEU  50           HG       LEU  50  39.972  12.570  27.162
  414   HD11  LEU  50          1HD1      LEU  50  39.940  13.476  24.853
  415   HD12  LEU  50          2HD1      LEU  50  41.455  13.877  25.712
  416   HD13  LEU  50          3HD1      LEU  50  41.431  12.699  24.357
  417   HD21  LEU  50          3HD2      LEU  50  38.680  11.473  25.494
  418   HD22  LEU  50          1HD2      LEU  50  40.133  10.312  25.314
  419   HD23  LEU  50          2HD2      LEU  50  39.055  10.324  26.751
  420    H    GLU  51           HN       GLU  51  43.328   8.523  27.437
  421    HA   GLU  51           HA       GLU  51  45.017   8.778  29.768
  422    HB2  GLU  51           HB1      GLU  51  44.028   6.585  29.240
  423    HB3  GLU  51           HB2      GLU  51  44.662   6.718  27.579
  424    HG2  GLU  51           HG1      GLU  51  46.944   6.339  28.148
  425    HG3  GLU  51           HG2      GLU  51  46.577   6.532  29.924
  426    H    ASP  52           HN       ASP  52  47.042   9.296  29.892
  427    HA   ASP  52           HA       ASP  52  48.237  10.900  27.993
  428    HB2  ASP  52           HB1      ASP  52  49.457   9.574  30.393
  429    HB3  ASP  52           HB2      ASP  52  50.212  10.834  29.365
  430    H    GLY  53           HN       GLY  53  48.729   7.424  28.224
  431    HA2  GLY  53           HA1      GLY  53  50.865   7.551  26.206
  432    HA3  GLY  53           HA2      GLY  53  50.092   6.183  26.827
  433    H    ARG  54           HN       ARG  54  47.458   7.906  25.994
  434    HA   ARG  54           HA       ARG  54  47.528   6.617  23.319
  435    HB2  ARG  54           HB1      ARG  54  45.167   7.669  25.063
  436    HB3  ARG  54           HB2      ARG  54  44.888   7.056  23.509
  437    HG2  ARG  54           HG1      ARG  54  46.088   5.412  25.793
  438    HG3  ARG  54           HG2      ARG  54  44.384   5.434  25.227
  439    HD2  ARG  54           HD1      ARG  54  44.940   4.239  23.261
  440    HD3  ARG  54           HD2      ARG  54  46.672   4.681  23.280
  441    HE   ARG  54           HE       ARG  54  45.955   3.062  25.613
  442   HH11  ARG  54          1HH1      ARG  54  47.145   2.615  22.260
  443   HH12  ARG  54          2HH1      ARG  54  47.012   0.899  22.325
  444   HH21  ARG  54          1HH2      ARG  54  45.999   1.006  25.794
  445   HH22  ARG  54          2HH2      ARG  54  46.661  -0.006  24.583
  446    H    THR  55           HN       THR  55  46.458   7.665  21.619
  447    HA   THR  55           HA       THR  55  47.333  10.461  21.398
  448    HB   THR  55           HB       THR  55  47.212  10.278  19.161
  449    HG1  THR  55           HG1      THR  55  46.473   7.665  19.587
  450   HG21  THR  55          3HG2      THR  55  49.182   8.549  18.727
  451   HG22  THR  55          1HG2      THR  55  49.231   9.527  20.343
  452   HG23  THR  55          2HG2      THR  55  48.703   7.736  20.116
  453    H    LEU  56           HN       LEU  56  46.113  11.961  20.134
  454    HA   LEU  56           HA       LEU  56  43.441  11.958  20.692
  455    HB2  LEU  56           HB1      LEU  56  44.992  13.042  18.291
  456    HB3  LEU  56           HB2      LEU  56  43.294  13.754  18.575
  457    HG   LEU  56           HG       LEU  56  45.407  14.065  20.667
  458   HD11  LEU  56          1HD1      LEU  56  44.817  15.882  18.197
  459   HD12  LEU  56          2HD1      LEU  56  45.573  16.347  19.811
  460   HD13  LEU  56          3HD1      LEU  56  46.338  15.159  18.674
  461   HD21  LEU  56          3HD2      LEU  56  42.793  15.627  19.807
  462   HD22  LEU  56          1HD2      LEU  56  42.831  14.330  21.007
  463   HD23  LEU  56          2HD2      LEU  56  43.768  15.840  21.384
  464    H    SER  57           HN       SER  57  44.817  10.716  17.696
  465    HA   SER  57           HA       SER  57  42.483   9.988  16.448
  466    HB2  SER  57           HB1      SER  57  44.718  10.193  15.377
  467    HB3  SER  57           HB2      SER  57  45.128   8.567  16.002
  468    HG   SER  57           HG1      SER  57  44.309   8.486  14.003
  469    H    ASP  58           HN       ASP  58  44.380   8.095  18.938
  470    HA   ASP  58           HA       ASP  58  42.839   5.794  18.587
  471    HB2  ASP  58           HB1      ASP  58  43.972   6.993  21.174
  472    HB3  ASP  58           HB2      ASP  58  43.554   5.285  20.912
  473    H    TYR  59           HN       TYR  59  41.730   8.729  20.009
  474    HA   TYR  59           HA       TYR  59  39.305   7.366  20.883
  475    HB2  TYR  59           HB1      TYR  59  40.357  10.180  21.565
  476    HB3  TYR  59           HB2      TYR  59  38.773   9.615  22.113
  477    HD1  TYR  59           HD2      TYR  59  39.092   7.237  23.119
  478    HD2  TYR  59           HD1      TYR  59  41.976  10.176  23.140
  479    HE1  TYR  59           HE2      TYR  59  40.136   6.140  25.213
  480    HE2  TYR  59           HE1      TYR  59  43.097   9.216  25.066
  481    HH   TYR  59           HH       TYR  59  41.739   6.324  26.740
  482    H    ASN  60           HN       ASN  60  40.272   8.582  17.988
  483    HA   ASN  60           HA       ASN  60  39.167   9.411  16.275
  484    HB2  ASN  60           HB1      ASN  60  38.008   7.260  16.723
  485    HB3  ASN  60           HB2      ASN  60  36.787   8.246  17.604
  486   HD21  ASN  60          1HD2      ASN  60  35.291   7.230  15.826
  487   HD22  ASN  60          2HD2      ASN  60  35.274   8.056  14.294
  488    H    ILE  61           HN       ILE  61  39.923  11.212  18.028
  489    HA   ILE  61           HA       ILE  61  37.858  13.224  18.034
  490    HB   ILE  61           HB       ILE  61  40.756  13.006  18.903
  491   HG12  ILE  61          1HG1      ILE  61  38.301  13.621  20.644
  492   HG13  ILE  61          2HG1      ILE  61  38.854  11.951  20.233
  493   HG21  ILE  61          1HG2      ILE  61  40.457  15.300  19.947
  494   HG22  ILE  61          2HG2      ILE  61  40.639  15.246  18.190
  495   HG23  ILE  61          3HG2      ILE  61  38.916  15.458  18.898
  496   HD11  ILE  61          HD3       ILE  61  40.959  12.341  21.273
  497   HD12  ILE  61          HD1       ILE  61  40.647  14.063  21.713
  498   HD13  ILE  61          HD2       ILE  61  39.648  12.783  22.441
  499    H    GLN  62           HN       GLN  62  37.530  14.477  16.545
  500    HA   GLN  62           HA       GLN  62  39.271  14.555  14.126
  501    HB2  GLN  62           HB1      GLN  62  36.244  14.611  14.341
  502    HB3  GLN  62           HB2      GLN  62  37.160  14.907  12.882
  503    HG2  GLN  62           HG1      GLN  62  38.192  12.584  13.010
  504    HG3  GLN  62           HG2      GLN  62  37.340  12.402  14.598
  505   HE21  GLN  62          1HE2      GLN  62  35.847  10.744  14.313
  506   HE22  GLN  62          2HE2      GLN  62  34.683  10.775  13.088
  507    H    LYS  63           HN       LYS  63  38.383  16.686  12.719
  508    HA   LYS  63           HA       LYS  63  39.246  18.897  14.093
  509    HB2  LYS  63           HB1      LYS  63  38.310  20.329  12.275
  510    HB3  LYS  63           HB2      LYS  63  39.451  18.916  11.822
  511    HG2  LYS  63           HG1      LYS  63  37.450  17.563  11.109
  512    HG3  LYS  63           HG2      LYS  63  36.451  18.947  11.599
  513    HD2  LYS  63           HD1      LYS  63  38.031  20.378  10.151
  514    HD3  LYS  63           HD2      LYS  63  38.753  18.915   9.545
  515    HE2  LYS  63           HE1      LYS  63  36.603  18.152   8.464
  516    HE3  LYS  63           HE2      LYS  63  35.718  19.556   9.206
  517    HZ1  LYS  63           HZ1      LYS  63  38.229  20.023   7.632
  518    HZ2  LYS  63           HZ2      LYS  63  36.878  19.723   6.695
  519    HZ3  LYS  63           HZ3      LYS  63  36.889  20.989   7.764
  520    H    GLU  64           HN       GLU  64  38.334  20.671  15.048
  521    HA   GLU  64           HA       GLU  64  37.018  21.713  16.318
  522    HB2  GLU  64           HB1      GLU  64  35.143  21.250  14.018
  523    HB3  GLU  64           HB2      GLU  64  34.637  22.150  15.472
  524    HG2  GLU  64           HG1      GLU  64  36.363  23.637  15.256
  525    HG3  GLU  64           HG2      GLU  64  37.326  22.793  13.994
  526    H    SER  65           HN       SER  65  37.157  18.766  16.969
  527    HA   SER  65           HA       SER  65  34.791  18.167  18.492
  528    HB2  SER  65           HB1      SER  65  37.599  17.227  19.300
  529    HB3  SER  65           HB2      SER  65  35.942  16.627  19.774
  530    HG   SER  65           HG1      SER  65  37.210  16.666  17.215
  531    H    THR  66           HN       THR  66  34.101  18.595  20.660
  532    HA   THR  66           HA       THR  66  35.833  20.554  21.996
  533    HB   THR  66           HB       THR  66  33.143  19.653  22.837
  534    HG1  THR  66           HG1      THR  66  32.904  22.026  22.305
  535   HG21  THR  66          3HG2      THR  66  33.153  21.548  24.460
  536   HG22  THR  66          1HG2      THR  66  34.517  20.707  24.778
  537   HG23  THR  66          2HG2      THR  66  34.682  22.227  23.760
  538    H    LEU  67           HN       LEU  67  37.131  19.803  23.421
  539    HA   LEU  67           HA       LEU  67  36.728  17.284  24.829
  540    HB2  LEU  67           HB1      LEU  67  39.070  19.039  24.257
  541    HB3  LEU  67           HB2      LEU  67  39.262  17.764  25.539
  542    HG   LEU  67           HG       LEU  67  38.593  16.081  23.868
  543   HD11  LEU  67          1HD1      LEU  67  37.557  17.400  22.107
  544   HD12  LEU  67          2HD1      LEU  67  39.145  18.136  21.670
  545   HD13  LEU  67          3HD1      LEU  67  38.648  16.276  21.660
  546   HD21  LEU  67          3HD2      LEU  67  40.560  15.977  24.689
  547   HD22  LEU  67          1HD2      LEU  67  40.949  15.963  22.932
  548   HD23  LEU  67          2HD2      LEU  67  41.314  17.455  23.699
  549    H    HIS  68           HN       HIS  68  36.622  17.337  27.066
  550    HA   HIS  68           HA       HIS  68  36.070  20.013  28.152
  551    HB2  HIS  68           HB1      HIS  68  34.999  17.330  29.156
  552    HB3  HIS  68           HB2      HIS  68  34.885  18.801  30.118
  553    HD2  HIS  68           HD2      HIS  68  33.126  20.731  29.050
  554    HE1  HIS  68           HE1      HIS  68  31.362  18.109  26.192
  555    HE2  HIS  68           HE2      HIS  68  31.190  20.407  27.284
  556    H    LEU  69           HN       LEU  69  37.500  20.741  29.734
  557    HA   LEU  69           HA       LEU  69  39.456  18.924  30.677
  558    HB2  LEU  69           HB1      LEU  69  40.204  20.880  29.748
  559    HB3  LEU  69           HB2      LEU  69  39.221  21.969  30.744
  560    HG   LEU  69           HG       LEU  69  40.569  21.518  32.667
  561   HD11  LEU  69          1HD1      LEU  69  41.153  19.034  32.340
  562   HD12  LEU  69          2HD1      LEU  69  42.136  19.545  30.911
  563   HD13  LEU  69          3HD1      LEU  69  42.679  20.017  32.483
  564   HD21  LEU  69          3HD2      LEU  69  42.442  22.038  30.164
  565   HD22  LEU  69          1HD2      LEU  69  41.253  23.189  30.827
  566   HD23  LEU  69          2HD2      LEU  69  42.559  22.599  31.900
  567    H    VAL  70           HN       VAL  70  39.222  18.172  32.855
  568    HA   VAL  70           HA       VAL  70  37.696  19.709  34.895
  569    HB   VAL  70           HB       VAL  70  37.793  16.701  34.827
  570   HG11  VAL  70          1HG1      VAL  70  36.306  18.674  36.637
  571   HG12  VAL  70          2HG1      VAL  70  36.072  16.912  36.540
  572   HG13  VAL  70          3HG1      VAL  70  37.671  17.566  37.056
  573   HG21  VAL  70          3HG2      VAL  70  35.427  18.499  34.032
  574   HG22  VAL  70          1HG2      VAL  70  36.347  17.482  32.853
  575   HG23  VAL  70          2HG2      VAL  70  35.444  16.737  34.206
  576    H    LEU  71           HN       LEU  71  38.789  19.979  36.787
  577    HA   LEU  71           HA       LEU  71  41.569  19.256  36.840
  578    HB2  LEU  71           HB1      LEU  71  39.913  20.989  38.677
  579    HB3  LEU  71           HB2      LEU  71  41.728  20.690  38.756
  580    HG   LEU  71           HG       LEU  71  40.284  21.794  36.256
  581   HD11  LEU  71          1HD1      LEU  71  40.059  22.982  38.730
  582   HD12  LEU  71          2HD1      LEU  71  41.598  23.621  38.253
  583   HD13  LEU  71          3HD1      LEU  71  40.189  23.971  37.214
  584   HD21  LEU  71          3HD2      LEU  71  42.694  22.974  36.192
  585   HD22  LEU  71          1HD2      LEU  71  43.064  21.703  37.427
  586   HD23  LEU  71          2HD2      LEU  71  42.644  21.210  35.763
  587    H    ARG  72           HN       ARG  72  42.520  17.986  38.345
  588    HA   ARG  72           HA       ARG  72  41.226  15.722  39.259
  589    HB2  ARG  72           HB1      ARG  72  43.523  16.020  38.467
  590    HB3  ARG  72           HB2      ARG  72  44.000  16.926  39.849
  591    HG2  ARG  72           HG1      ARG  72  43.561  14.683  41.224
  592    HG3  ARG  72           HG2      ARG  72  43.252  13.863  39.668
  593    HD2  ARG  72           HD1      ARG  72  45.460  14.522  38.964
  594    HD3  ARG  72           HD2      ARG  72  45.970  15.312  40.472
  595    HE   ARG  72           HE       ARG  72  44.960  12.835  41.276
  596   HH11  ARG  72          1HH1      ARG  72  47.082  13.667  38.569
  597   HH12  ARG  72          2HH1      ARG  72  47.552  12.067  38.326
  598   HH21  ARG  72          1HH2      ARG  72  45.848  10.860  41.127
  599   HH22  ARG  72          2HH2      ARG  72  47.231  10.448  40.139
  600    H    LEU  73           HN       LEU  73  40.716  14.984  41.288
  601    HA   LEU  73           HA       LEU  73  40.064  16.904  43.142
  602    HB2  LEU  73           HB1      LEU  73  40.394  13.915  43.647
  603    HB3  LEU  73           HB2      LEU  73  39.429  15.117  44.651
  604    HG   LEU  73           HG       LEU  73  38.848  14.284  41.713
  605   HD11  LEU  73          1HD1      LEU  73  37.447  13.641  44.315
  606   HD12  LEU  73          2HD1      LEU  73  36.891  13.325  42.627
  607   HD13  LEU  73          3HD1      LEU  73  38.382  12.450  43.272
  608   HD21  LEU  73          3HD2      LEU  73  37.837  16.667  42.178
  609   HD22  LEU  73          1HD2      LEU  73  36.689  15.507  42.031
  610   HD23  LEU  73          2HD2      LEU  73  37.142  15.950  43.715
  611    H    ARG  74           HN       ARG  74  40.671  17.054  45.385
  612    HA   ARG  74           HA       ARG  74  43.289  17.649  45.698
  613    HB2  ARG  74           HB1      ARG  74  41.423  18.710  46.977
  614    HB3  ARG  74           HB2      ARG  74  41.245  17.219  47.851
  615    HG2  ARG  74           HG1      ARG  74  42.672  18.752  49.279
  616    HG3  ARG  74           HG2      ARG  74  43.841  17.696  48.573
  617    HD2  ARG  74           HD1      ARG  74  44.174  19.524  46.670
  618    HD3  ARG  74           HD2      ARG  74  43.042  20.492  47.629
  619    HE   ARG  74           HE       ARG  74  45.146  19.200  49.235
  620   HH11  ARG  74          1HH1      ARG  74  44.821  22.353  47.222
  621   HH12  ARG  74          2HH1      ARG  74  45.702  23.183  48.414
  622   HH21  ARG  74          1HH2      ARG  74  46.728  20.312  50.148
  623   HH22  ARG  74          2HH2      ARG  74  47.082  22.009  49.827
  624    H    GLY  75           HN       GLY  75  45.341  16.787  46.406
  625    HA2  GLY  75           HA1      GLY  75  45.019  14.044  47.214
  626    HA3  GLY  75           HA2      GLY  75  46.327  14.715  46.214
  627    H    GLY  76           HN       GLY  76  45.497  16.827  48.702
  628    HA2  GLY  76           HA1      GLY  76  46.334  15.900  50.883
  629    HA3  GLY  76           HA2      GLY  76  47.904  16.324  50.057